CMAUP Plant Ingredients

50 Known Ingredients in Total

Unique ingredients have been isolated from this plant.
Plant-Ingredients Associations were manually curated from publications or collected from other databases.

9 Ingredients with Available Activity

Unique ingredients have activity data available.

Ingredient Structrual Cards

Ingredient ID: NPC95780
Formula: C36H72O2

Common Name	n.a.
IUPAC Name	pentyl hentriacontanoate
Canonical SMILES	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCC
Standard InCHI	InChI=1S/C36H72O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36(37)38-35-33-6-4-2/h3-35H2,1-2H3
Standard InCHIKey	GGQQYAYCQKBIJQ-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 21775821 ZINC ID: ZINC000085831363
Plant-Ingredient Association Reference	Database: UNPD []

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Ingredient ID: NPC88447
Formula: C32H58Br2Cl2O4

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	Br[C@@H](C(Cl)(C)C)CC[C@@]([C@H]1CC[C@@](C1)(C)[C@@H](CC[C@H]([C@]1(C)CC[C@@H](C1)[C@](CC[C@H](C(Cl)(C)C)Br)(O)C)O)O)(O)C
Standard InCHI	InChI=1S/C32H58Br2Cl2O4/c1-27(2,35)23(33)13-17-31(7,39)21-11-15-29(5,19-21)25(37)9-10-26(38)30(6)16-12-22(20-30)32(8,40)18-14-24(34)28(3,4)36/h21-26,37-40H,9-20H2,1-8H3/t21-,22-,23+,24+,25+,26+,29+,30+,31-,32-/m0/s1
Standard InCHIKey	MJHMIBYCWMSRPM-UDYSRGMFSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD201840]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Ingredient ID: NPC8104
Formula: C24H18N2O4

Common Name	Caulerpin
IUPAC Name	n.a.
Canonical SMILES	COC(=O)c1cc2c([nH]c3c2cccc3)c(cc2c1[nH]c1c2cccc1)C(=O)OC
Standard InCHI	InChI=1S/C24H18N2O4/c1-29-23(27)17-11-15-13-7-3-6-10-20(13)26-22(15)18(24(28)30-2)12-16-14-8-4-5-9-19(14)25-21(16)17/h3-12,25-26H,1-2H3/b15-11-,16-12-,17-11+,18-12+,21-17-,22-18-
Standard InCHIKey	PVWALMHWUOWPPA-HCOJNGAVSA-N
Ingredient External Links	PubChem CID: NA ChEMBL ID: CHEMBL377236
Plant-Ingredient Association Reference	Database: UNPD [UNPD183825] Database: NPASS [NPC8104]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Ingredient ID: NPC78710
Formula: C30H51BrO6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	Br[C@@H]1CC[C@]([C@@H](OC1(C)C)CC[C@@]([C@H]1CC[C@H]2[C@@](O1)(C)CC[C@H]1[C@@](O2)(C)CC=CC(O1)(C)C)(O)C)(C)O
Standard InCHI	InChI=1S/C30H51BrO6/c1-25(2)15-9-16-29(7)24(34-25)14-19-30(8)23(37-29)11-10-21(36-30)28(6,33)18-13-22-27(5,32)17-12-20(31)26(3,4)35-22/h9,15,20-24,32-33H,10-14,16-19H2,1-8H3/t20-,21-,22+,23+,24+,27+,28+,29-,30-/m1/s1
Standard InCHIKey	GOJQGQABYBPKGL-KJRAITSESA-N
Ingredient External Links	PubChem CID: 102432674
Plant-Ingredient Association Reference	Database: UNPD [UNPD148350]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Ingredient ID: NPC69374
Formula: C10H15NO4

Common Name	Kainic Acid
IUPAC Name	(2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidin-1-ium-2-carboxylate
Canonical SMILES	OC(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)O)C(=C)C
Standard InCHI	InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1
Standard InCHIKey	VLSMHEGGTFMBBZ-OOZYFLPDSA-N
Ingredient External Links	PubChem CID: 44338126;10255 ZINC ID: ZINC000003995575 ChEMBL ID: CHEMBL275040
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC69374]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Abrus pulchellus	Abrus	Fabaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Ingredient ID: NPC65089
Formula: C27H44O

Common Name	n.a.
IUPAC Name	(3S,9S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Canonical SMILES	CC(CCC[C@H]([C@H]1CCC2=C3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](CC1=CC3)O)C)C
Standard InCHI	InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21,23,25,28H,6-8,10-17H2,1-5H3/t19-,21+,23-,25+,26+,27-/m1/s1
Standard InCHIKey	DJNCIOAUQVURTQ-RQZUOROGSA-N
Ingredient External Links	PubChem CID: 46840178
Plant-Ingredient Association Reference	Database: TCMID [3585]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Aloe vera	Aloe	Xanthorrhoeaceae
Leontice robustum	Leontice	Berberidaceae
Cucumis melo	Cucumis	Cucurbitaceae
Spinacia oleracea	Spinacia	Chenopodiaceae
Lycium chinense	Lycium	Solanaceae
Dioscorea polystachya	Dioscorea	Dioscoreaceae
Arachis hypogaea	Arachis	Fabaceae
Phoenix dactylifera	Phoenix	Arecaceae
Pygeum topengii	Pygeum	Rosaceae
Oryza sativa	Oryza	Poaceae
Brassica rapa subsp. oleifera	Brassica	Brassicaceae

Ingredient ID: NPC59804
Formula: C41H66O13

Common Name	n.a.
IUPAC Name	(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC[C@@H]([C@@H]2O)O)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2)C(=O)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C41H66O13/c1-36(2)13-15-41(35(49)50)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(38(4,20-43)25(37)9-12-40(26,39)6)53-34-32(28(45)23(44)19-51-34)54-33-31(48)30(47)29(46)24(18-42)52-33/h7,22-34,42-48H,8-20H2,1-6H3,(H,49,50)/t22-,23-,24+,25+,26+,27-,28-,29+,30-,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1
Standard InCHIKey	RROGHRHLBLVQSG-UUWFFIQNSA-N
Ingredient External Links	PubChem CID: 13878151 ZINC ID: ZINC000095617153
Plant-Ingredient Association Reference	Database: NPASS [NPC59804]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Lonicera japonica	Lonicera	Caprifoliaceae
Rheedia acuminata	Rheedia	Clusiaceae
Eleutherococcus giraldii	Eleutherococcus	Araliaceae
Acacia aulacocarpa	Acacia	Fabaceae
Aspidosperma subincanum	Aspidosperma	Apocynaceae
Ardisia neriifolia	Ardisia	Primulaceae
Psiadia dentata	Psiadia	Asteraceae
Peritassa compta	Peritassa	Celastraceae
Eupatorium argentinum	Eupatorium	Asteraceae
Cryptocarya aschersoniana	Cryptocarya	Lauraceae
Juniperus brevifolia	Juniperus	Cupressaceae
Guatteria boliviana	Guatteria	Annonaceae
Anemone flaccida	Anemone	Ranunculaceae

Ingredient ID: NPC40908
Formula: C30H52Br2O6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	Br[C@@H]1CC[C@@]2([C@@H](OC1(C)C)CC[C@@]1([C@@H](O2)CC[C@@H](O1)[C@@](CC[C@@H]1OC(C)(C)[C@@H](CC[C@]1(C)O)Br)(O)C)C)C
Standard InCHI	InChI=1S/C30H52Br2O6/c1-25(2)19(31)11-15-27(5,33)22(35-25)13-16-28(6,34)21-9-10-23-30(8,37-21)18-14-24-29(7,38-23)17-12-20(32)26(3,4)36-24/h19-24,33-34H,9-18H2,1-8H3/t19-,20-,21-,22+,23+,24+,27+,28-,29-,30-/m1/s1
Standard InCHIKey	HQWJZHVIHPJUEI-WBGKYLKZSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD160456]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Ingredient ID: NPC40663
Formula: C15H21NO6

Common Name	Domoic Acid
IUPAC Name	(2S,3S,4S)-4-[(2Z,4E,6R)-6-carboxyhepta-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
Canonical SMILES	OC(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)O)/C(=CC=C[C@H](C(=O)O)C)/C
Standard InCHI	InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4-/t9-,10+,11-,13+/m1/s1
Standard InCHIKey	VZFRNCSOCOPNDB-AOKDLOFSSA-N
Ingredient External Links	PubChem CID: 5282253 ChEMBL ID: CHEMBL1232313
Plant-Ingredient Association Reference	Database: UNPD [UNPD29700] Database: NPASS [NPC40663]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Ingredient ID: NPC34808
Formula: C15H21NO6

Common Name	n.a.
IUPAC Name	(2S,3S,4S)-4-[(2E,4E,6S)-6-carboxyhepta-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
Canonical SMILES	OC(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)O)/C(=C/C=C/[C@@H](C(=O)O)C)/C
Standard InCHI	InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4+/t9-,10-,11+,13-/m0/s1
Standard InCHIKey	VZFRNCSOCOPNDB-AJKFJWDBSA-N
Ingredient External Links	PubChem CID: 17753955
Plant-Ingredient Association Reference	Database: UNPD [UNPD6540]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Shuteria involucrata var. vestita	Shuteria	Fabaceae
Euphorbia kamerunica	Euphorbia	Euphorbiaceae
Leontice robustum	Leontice	Berberidaceae
Eria foetida	Eria	Orchidaceae
Agave aurea	Agave	Asparagaceae
Encephalartos altensteinii	Encephalartos	Zamiaceae
Cupressus lawsoniana	Cupressus	Cupressaceae
Crinum erubescens	Crinum	Amaryllidaceae
Pentzia incana	Pentzia	Asteraceae
Kobresia nepalensis	Kobresia	Cyperaceae
Pronephrium triphyllum	Pronephrium	Thelypteridaceae
Excoecaria oppositifolia	Excoecaria	Euphorbiaceae
Grindelia acutifolia	Grindelia	Asteraceae
Prangos pabularia	Prangos	Apiaceae
Trifolium subterraneum	Trifolium	Fabaceae
Euphorbia marginata	Euphorbia	Euphorbiaceae
Emilia sonchifolia	Emilia	Asteraceae
Crataegus davisii	Crataegus	Rosaceae
Gardenia collinsae	Gardenia	Rubiaceae
Callistemon viminalis	Callistemon	Myrtaceae
Pausinystalia mayumbensis	Pausinystalia	Rubiaceae
Ajuga spectabilis	Ajuga	Lamiaceae
Cissus pallidiflorus	Cissus	Vitaceae
Ursinia abrotanifolia	Ursinia	Asteraceae
Selliguea feei	Selliguea	Polypodiaceae
Jungermannia hyalina	Jungermannia	Jungermanniaceae
Melampodium heterophyllum	Melampodium	Asteraceae
Simaba multiflora	Simaba	Simaroubaceae
Baphia nitida	Baphia	Fabaceae
Litsea pulchella	Litsea	Lauraceae
Astragalus tragacantha	Astragalus	Fabaceae
Teucrium oxylepis	Teucrium	Lamiaceae
Ligularia muliensis	Ligularia	Asteraceae
Alstroemeria revoluta	Alstroemeria	Alstroemeriaceae
Marrubium alysson	Marrubium	Lamiaceae
Achillea macrophylla	Achillea	Asteraceae
Nuphar lutea	Nuphar	Nymphaeaceae
Amomum melegueta	Amomum	Zingiberaceae
Eupatorium havanense	Eupatorium	Asteraceae
Litsea aciculata	Litsea	Lauraceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae
Gymnosporia senegalensis	Gymnosporia	Celastraceae
Stevia chamaedrys	Stevia	Asteraceae
Trillium camschatcense	Trillium	Melanthiaceae

Ingredient ID: NPC305938
Formula: C30H52Br2O6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	Br[C@H]1CC[C@@]2([C@@H](OC1(C)C)CC[C@@]1([C@@H](O2)CC[C@@H](O1)[C@@](CC[C@@H]1OC(C)(C)[C@@H](CC[C@]1(C)O)Br)(O)C)C)C
Standard InCHI	InChI=1S/C30H52Br2O6/c1-25(2)19(31)11-15-27(5,33)22(35-25)13-16-28(6,34)21-9-10-23-30(8,37-21)18-14-24-29(7,38-23)17-12-20(32)26(3,4)36-24/h19-24,33-34H,9-18H2,1-8H3/t19-,20+,21-,22+,23+,24+,27+,28-,29-,30-/m1/s1
Standard InCHIKey	HQWJZHVIHPJUEI-AZRIJFCTSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD109703]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Ingredient ID: NPC305717
Formula: C14H19NO2

Common Name	n.a.
IUPAC Name	1-(4-hydroxyphenyl)-2-(1-methylpiperidin-2-yl)ethanone
Canonical SMILES	CN1CCCCC1CC(=O)c1ccc(cc1)O
Standard InCHI	InChI=1S/C14H19NO2/c1-15-9-3-2-4-12(15)10-14(17)11-5-7-13(16)8-6-11/h5-8,12,16H,2-4,9-10H2,1H3
Standard InCHIKey	DZUIOQIFAIDHJH-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 10489834
Plant-Ingredient Association Reference	Database: NPASS [NPC305717]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Leontice robustum	Leontice	Berberidaceae

Ingredient ID: NPC300838
Formula: C53H86O22

Common Name	n.a.
IUPAC Name	[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6bR,9R,10S,12aR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Canonical SMILES	OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@]34CCC5(C(=CCC6[C@@]5(C)CCC5[C@]6(C)CC[C@@H]([C@@]5(C)CO)O[C@@H]5OC[C@@H]([C@@H]([C@H]5O)O)O)C4CC(CC3)(C)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O
Standard InCHI	InChI=1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25?,26-,27+,28+,29?,30?,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51?,52+,53-/m0/s1
Standard InCHIKey	UEHILKCNLIKLEV-MJWQCEGASA-N
Ingredient External Links	PubChem CID: 11968343
Plant-Ingredient Association Reference	Database: TCMID [3343]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Leontice robustum	Leontice	Berberidaceae

Ingredient ID: NPC290606
Formula: C7H14N2O3

Common Name	n.a.
IUPAC Name	2-azaniumyl-5-(ethylamino)-5-oxopentanoate
Canonical SMILES	CCN=C(CCC(C(=O)O)N)O
Standard InCHI	InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)
Standard InCHIKey	DATAGRPVKZEWHA-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 25201101
Plant-Ingredient Association Reference	Database: TCMID [21265]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Leontice robustum	Leontice	Berberidaceae
Camellia sinensis	Camellia	Theaceae

Ingredient ID: NPC285322
Formula: C4H7NO4

Common Name	D-Aspartate
IUPAC Name	(2R)-2-aminobutanedioic acid
Canonical SMILES	OC(=O)C[C@H](C(=O)O)N
Standard InCHI	InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
Standard InCHIKey	CKLJMWTZIZZHCS-UWTATZPHSA-N
Ingredient External Links	PubChem CID: 83887 ChEMBL ID: CHEMBL29757
Plant-Ingredient Association Reference	Database: UNPD [UNPD100871] Database: NPASS [NPC285322]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Aloe vera	Aloe	Xanthorrhoeaceae
Leontice robustum	Leontice	Berberidaceae
Aloe ferox	Aloe	Asphodelaceae
Bupleurum scorzonerifolium	Bupleurum	Apiaceae
Pinellia ternata	Pinellia	Araceae
Arabidopsis thaliana	Arabidopsis	Brassicaceae
Amomum melegueta	Amomum	Zingiberaceae
Ginkgo biloba	Ginkgo	Ginkgoaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Aloe spicata	Aloe	Asphodelaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae
Brassica juncea	Brassica	Brassicaceae
Glycyrrhiza glabra	Glycyrrhiza	Fabaceae
Bupleurum chinense	Bupleurum	Apiaceae
Pogostemon cablin	Pogostemon	Lamiaceae
Aloe africana	Aloe	Xanthorrhoeaceae
Bupleurum falcatum	Bupleurum	Apiaceae
Tussilago farfara	Tussilago	Asteraceae
Acorus gramineus	Acorus	Acoraceae
Allium sativum	Allium	Amaryllidaceae
Sinapis alba	Sinapis	Brassicaceae
Acorus tatarinowii	Acorus	Acoraceae

Ingredient ID: NPC28198
Formula: C35H56O8

Common Name	Delta-Hederin
IUPAC Name	(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Canonical SMILES	OC[C@]1(C)[C@H](CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O)C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C35H56O8/c1-30(2)13-15-35(29(40)41)16-14-33(5)20(21(35)17-30)7-8-24-31(3)11-10-25(43-28-27(39)26(38)22(37)18-42-28)32(4,19-36)23(31)9-12-34(24,33)6/h7,21-28,36-39H,8-19H2,1-6H3,(H,40,41)/t21-,22-,23+,24+,25-,26-,27+,28-,31-,32-,33+,34+,35-/m0/s1
Standard InCHIKey	QUBNLZCADIYAFW-RITZIESXSA-N
Ingredient External Links	PubChem CID: 441928 ZINC ID: ZINC000008234236 ChEMBL ID: CHEMBL452911
Plant-Ingredient Association Reference	Database: NPASS [NPC28198]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Hedera helix	Hedera	Araliaceae
Koelreuteria paniculata	Koelreuteria	Sapindaceae
Leontice robustum	Leontice	Berberidaceae
Pulsatilla chinensis	Pulsatilla	Ranunculaceae
Lonicera japonica	Lonicera	Caprifoliaceae
Aristolochia manshuriensis	Aristolochia	Aristolochiaceae
Akebia quinata	Akebia	Lardizabalaceae
Patrinia scabiosifolia	Patrinia	Caprifoliaceae
Rhaponticum carthamoides	Rhaponticum	Asteraceae
Rheedia acuminata	Rheedia	Clusiaceae
Acacia aulacocarpa	Acacia	Fabaceae
Aspidosperma subincanum	Aspidosperma	Apocynaceae
Ardisia neriifolia	Ardisia	Primulaceae
Psiadia dentata	Psiadia	Asteraceae
Ekebergia senegalensis	Ekebergia	Meliaceae
Peritassa compta	Peritassa	Celastraceae
Eupatorium argentinum	Eupatorium	Asteraceae
Arisaema erubescens	Arisaema	Araceae
Cryptocarya aschersoniana	Cryptocarya	Lauraceae
Clematis chinensis	Clematis	Ranunculaceae
Juniperus brevifolia	Juniperus	Cupressaceae
Guatteria boliviana	Guatteria	Annonaceae
Anemone flaccida	Anemone	Ranunculaceae
Sapindus mukorossi	Sapindus	Sapindaceae

Ingredient ID: NPC27988
Formula: C5H9NO4

Common Name	n.a.
IUPAC Name	3-aminopentanedioic acid
Canonical SMILES	NC(CC(=O)O)CC(=O)O
Standard InCHI	InChI=1S/C5H9NO4/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H,7,8)(H,9,10)
Standard InCHIKey	BBJIPMIXTXKYLZ-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 73064
Plant-Ingredient Association Reference	Database: UNPD [UNPD87311]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Ingredient ID: NPC271802
Formula: C15H24N2O

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O=C1CCC[C@H]2N1C[C@@H]1C[C@H]2C[NH+]2[C@H]1CCCC2
Standard InCHI	InChI=1S/C15H24N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h11-14H,1-10H2/p+1/t11-,12-,13-,14+/m0/s1
Standard InCHIKey	JYIJIIVLEOETIQ-XDQVBPFNSA-O
Ingredient External Links	PubChem CID: 6987464
Plant-Ingredient Association Reference	Database: TCMID [13082]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Morus cathayana	Morus	Moraceae
Thermopsis lanceolata	Thermopsis	Fabaceae
Sophora flavescens	Sophora	Fabaceae
Cytisus scoparius	Cytisus	Fabaceae
Hydrangea macrophylla	Hydrangea	Hydrangeaceae

Ingredient ID: NPC266441
Formula: C30H48O

Common Name	n.a.
IUPAC Name	(3aR,5aR,5bR,7aR,11aR,11bR,13aS)-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-3,4,5,6,7,7a,10,11,11b,12,13,13a-dodecahydro-2H-cyclopenta[a]chrysen-9-one
Canonical SMILES	CC(C1=C2[C@H]3CC[C@H]4[C@@]([C@]3(C)CC[C@]2(CC1)C)(C)CC[C@@H]1[C@]4(C)CCC(=O)C1(C)C)C
Standard InCHI	InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h19,21-23H,9-18H2,1-8H3/t21-,22+,23-,27-,28+,29-,30-/m1/s1
Standard InCHIKey	CUFJQMZAPYHTHV-PKYVYUFTSA-N
Ingredient External Links	PubChem CID: 17751023
Plant-Ingredient Association Reference	Database: TCMID [13090]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Cirsium setosum	Cirsium	Asteraceae
Firmiana simplex	Firmiana	Malvaceae
Leontice robustum	Leontice	Berberidaceae
Plumbago zeylanica	Plumbago	Plumbaginaceae
Alnus japonica	Alnus	Betulaceae
Thermopsis lanceolata	Thermopsis	Fabaceae
Sophora flavescens	Sophora	Fabaceae
Millettia pinnata	Millettia	Fabaceae
Manihot esculenta	Manihot	Euphorbiaceae
Ficus carica	Ficus	Moraceae
Cytisus scoparius	Cytisus	Fabaceae
Senegalia mellifera	Senegalia	Fabaceae
Euonymus alatus	Euonymus	Celastraceae
Isatis tinctoria	Isatis	Brassicaceae
Phellodendron japonicum	Phellodendron	Rutaceae

Ingredient ID: NPC265800
Formula: C30H50O

Common Name	n.a.
IUPAC Name	(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
Canonical SMILES	CC(=C)[C@@H]1CC[C@]2([C@H]1C1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C
Standard InCHI	InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21?,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1
Standard InCHIKey	MQYXUWHLBZFQQO-CZYRXZFSSA-N
Ingredient External Links	PubChem CID: 44586882
Plant-Ingredient Association Reference	Database: TCMID [13091]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Nerium oleander	Nerium	Apocynaceae
Cirsium setosum	Cirsium	Asteraceae
Firmiana simplex	Firmiana	Malvaceae
Leontice robustum	Leontice	Berberidaceae
Euphorbia royleana	Euphorbia	Euphorbiaceae
Rhodomyrtus tomentosa	Rhodomyrtus	Myrtaceae
Alnus japonica	Alnus	Betulaceae
Citrus wilsonii	Citrus	Rutaceae
Sparganium stoloniferum	Sparganium	Typhaceae
Lycium chinense	Lycium	Solanaceae
Diospyros kaki	Diospyros	Ebenaceae
Millettia pinnata	Millettia	Fabaceae
Ilex cornuta	Ilex	Aquifoliaceae
Ficus carica	Ficus	Moraceae
Senegalia mellifera	Senegalia	Fabaceae
Ventilago leiocarpa	Ventilago	Rhamnaceae
Astragalus membranaceus	Astragalus	Fabaceae
Abrus pulchellus	Abrus	Fabaceae
Ligularia sagitta	Ligularia	Asteraceae
Morus alba	Morus	Moraceae
Sorbaria arborea	Sorbaria	Rosaceae
Pygeum topengii	Pygeum	Rosaceae
Phyllanthus emblica	Phyllanthus	Phyllanthaceae
Oroxylum indicum	Oroxylum	Bignoniaceae
Euonymus alatus	Euonymus	Celastraceae
Geum japonicum	Geum	Rosaceae
Morella rubra	Morella	Myricaceae
Loranthus parasiticus	Loranthus	Loranthaceae
Balanophora involucrata	Balanophora	Balanophoraceae
Flemingia philippinensis	Flemingia	Fabaceae
Gentiana lutea	Gentiana	Gentianaceae
Isatis tinctoria	Isatis	Brassicaceae
Baphicacanthus cusia	Baphicacanthus	Acanthaceae
Tanacetum cinerariifolium	Tanacetum	Asteraceae
Ampelopsis glandulosa var. brevipedunculata	Ampelopsis	Vitaceae
Hypoestes purpurea	Hypoestes	Acanthaceae
Centipeda minima	Centipeda	Asteraceae

Ingredient ID: NPC26185
Formula: C20H30Br2O3

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	Br[C@@H]1CC[C@@](CC1(C)C)(O)C[C@H]1CC[C@]23[C@H]1[C@](C)(CC[C@H]2Br)OC3=O
Standard InCHI	InChI=1S/C20H30Br2O3/c1-17(2)11-19(24,8-6-13(17)21)10-12-4-9-20-14(22)5-7-18(3,15(12)20)25-16(20)23/h12-15,24H,4-11H2,1-3H3/t12-,13-,14-,15-,18+,19-,20-/m1/s1
Standard InCHIKey	JHJKMBYLQWELLH-OKFNGGDSSA-N
Ingredient External Links	PubChem CID: 46703590
Plant-Ingredient Association Reference	Database: UNPD [UNPD201835]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Ingredient ID: NPC242428
Formula: C15H21NO6

Common Name	n.a.
IUPAC Name	(2S,3S,4S)-4-[(2E,4Z,6R)-6-carboxyhepta-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
Canonical SMILES	OC(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)O)/C(=C/C=C[C@H](C(=O)O)C)/C
Standard InCHI	InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3-,8-4+/t9-,10+,11-,13+/m1/s1
Standard InCHIKey	VZFRNCSOCOPNDB-LNVQSPMDSA-N
Ingredient External Links	PubChem CID: 101790920
Plant-Ingredient Association Reference	Database: UNPD [UNPD132480]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Shuteria involucrata var. vestita	Shuteria	Fabaceae
Euphorbia kamerunica	Euphorbia	Euphorbiaceae
Leontice robustum	Leontice	Berberidaceae
Eria foetida	Eria	Orchidaceae
Agave aurea	Agave	Asparagaceae
Encephalartos altensteinii	Encephalartos	Zamiaceae
Cupressus lawsoniana	Cupressus	Cupressaceae
Crinum erubescens	Crinum	Amaryllidaceae
Pentzia incana	Pentzia	Asteraceae
Kobresia nepalensis	Kobresia	Cyperaceae
Pronephrium triphyllum	Pronephrium	Thelypteridaceae
Excoecaria oppositifolia	Excoecaria	Euphorbiaceae
Grindelia acutifolia	Grindelia	Asteraceae
Prangos pabularia	Prangos	Apiaceae
Trifolium subterraneum	Trifolium	Fabaceae
Euphorbia marginata	Euphorbia	Euphorbiaceae
Emilia sonchifolia	Emilia	Asteraceae
Crataegus davisii	Crataegus	Rosaceae
Gardenia collinsae	Gardenia	Rubiaceae
Callistemon viminalis	Callistemon	Myrtaceae
Pausinystalia mayumbensis	Pausinystalia	Rubiaceae
Ajuga spectabilis	Ajuga	Lamiaceae
Cissus pallidiflorus	Cissus	Vitaceae
Ursinia abrotanifolia	Ursinia	Asteraceae
Selliguea feei	Selliguea	Polypodiaceae
Jungermannia hyalina	Jungermannia	Jungermanniaceae
Melampodium heterophyllum	Melampodium	Asteraceae
Simaba multiflora	Simaba	Simaroubaceae
Baphia nitida	Baphia	Fabaceae
Litsea pulchella	Litsea	Lauraceae
Astragalus tragacantha	Astragalus	Fabaceae
Teucrium oxylepis	Teucrium	Lamiaceae
Ligularia muliensis	Ligularia	Asteraceae
Alstroemeria revoluta	Alstroemeria	Alstroemeriaceae
Marrubium alysson	Marrubium	Lamiaceae
Achillea macrophylla	Achillea	Asteraceae
Nuphar lutea	Nuphar	Nymphaeaceae
Amomum melegueta	Amomum	Zingiberaceae
Eupatorium havanense	Eupatorium	Asteraceae
Litsea aciculata	Litsea	Lauraceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae
Gymnosporia senegalensis	Gymnosporia	Celastraceae
Stevia chamaedrys	Stevia	Asteraceae
Trillium camschatcense	Trillium	Melanthiaceae

Ingredient ID: NPC236709
Formula: C4H6O4

Common Name	Succinic Acid
IUPAC Name	butanedioic acid
Canonical SMILES	OC(=O)CCC(=O)O
Standard InCHI	InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
Standard InCHIKey	KDYFGRWQOYBRFD-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 1110;21952380 ChEMBL ID: CHEMBL576
Plant-Ingredient Association Reference	Database: UNPD [UNPD142464] Database: NPASS [NPC236709]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Castanopsis hystrix	Castanopsis	Fagaceae
Tripteris microcarpa	Tripteris	Asteraceae
Verbascum spinosum	Verbascum	Scrophulariaceae
Psammosilene tunicoides	Psammosilene	Caryophyllaceae
Ipomoea digitata	Ipomoea	Convolvulaceae
Passiflora incarnata	Passiflora	Passifloraceae
Othonna cylindrica	Othonna	Asteraceae
Cistanche deserticola	Cistanche	Orobanchaceae
Viburnum furcatum	Viburnum	Adoxaceae
Callitris drummondii	Callitris	Cupressaceae
Dipsacus asper	Dipsacus	Caprifoliaceae
Epimedium sagittatum	Epimedium	Berberidaceae
Annona cornifolia	Annona	Annonaceae
Coutarea latifolia	Coutarea	Rubiaceae
Centella asiatica	Centella	Apiaceae
Rivina humilis	Rivina	Petiveriaceae
Euclea natalensis	Euclea	Ebenaceae
Juniperus formosana	Juniperus	Cupressaceae
Benkara malabarica	Benkara	Rubiaceae
Ranunculus ternatus	Ranunculus	Ranunculaceae
Angelica gigas	Angelica	Apiaceae
Chelidonium majus	Chelidonium	Papaveraceae
Alstonia muelleriana	Alstonia	Apocynaceae
Duguetia calycina	Duguetia	Annonaceae
Salvia syriaca	Salvia	Lamiaceae
Aloe vera	Aloe	Xanthorrhoeaceae
Artemisia laciniata	Artemisia	Asteraceae
Callitris macleayana	Callitris	Cupressaceae
Solanum laxum	Solanum	Solanaceae
Dacrydium cupressinum	Dacrydium	Podocarpaceae
Citrus hassaku	Citrus	Rutaceae
Cylindropuntia leptocaulis	Cylindropuntia	Cactaceae
Morus australis	Morus	Moraceae
Sicana odorifera	Sicana	Cucurbitaceae
Leontice robustum	Leontice	Berberidaceae
Eriostemon spicatus	Eriostemon	Rutaceae
Phalaris canariensis	Phalaris	Poaceae
Trigonella grandiflora	Trigonella	Fabaceae
Eucalyptus melliodora	Eucalyptus	Myrtaceae
Othonna intermedia	Othonna	Asteraceae
Jacaranda chelonia	Jacaranda	Bignoniaceae
Pleione yunnanensis	Pleione	Orchidaceae
Payena lucida	Payena	Sapotaceae
Trichoscypha acuminata	Trichoscypha	Anacardiaceae
Pteridium aquilinum	Pteridium	Dennstaedtiaceae
Crepidiastrum sonchifolium	Crepidiastrum	Asteraceae
Nicotiana undulata	Nicotiana	Solanaceae
Scutellaria amoena	Scutellaria	Lamiaceae
Gaillardia tontalensis	Gaillardia	Asteraceae
Thalictrum fauriei	Thalictrum	Ranunculaceae
Epimedium sempervirens	Epimedium	Berberidaceae
Goniothalamus malayanus	Goniothalamus	Annonaceae
Pastinaca sativa	Pastinaca	Apiaceae
Luvunga scandens	Luvunga	Rutaceae
Uraria picta	Uraria	Fabaceae
Artemisia cina	Artemisia	Asteraceae
Lysimachia mauritiana	Lysimachia	Primulaceae
Senecio taiwanensis	Senecio	Asteraceae
Lobelia chinensis	Lobelia	Campanulaceae
Swertia franchetiana	Swertia	Gentianaceae
Aloe ferox	Aloe	Asphodelaceae
Bupleurum scorzonerifolium	Bupleurum	Apiaceae
Pityrodia ternifolia	Pityrodia	Lamiaceae
Scrophularia nodosa	Scrophularia	Scrophulariaceae
Hippophae rhamnoides	Hippophae	Elaeagnaceae
Chromolaena odorata	Chromolaena	Asteraceae
Helipterum roseum	Helipterum	Asteraceae
Acronychia acidula	Acronychia	Rutaceae
Erlangea cordifolia	Erlangea	Asteraceae
Angelica sinensis	Angelica	Apiaceae
Hedysarum connatum	Hedysarum	Fabaceae
Glochidion zeylanicum	Glochidion	Phyllanthaceae
Strychnos panamensis	Strychnos	Loganiaceae
Zanthoxylum tetraspermum	Zanthoxylum	Rutaceae
Bupleurum aureum	Bupleurum	Apiaceae
Citrus medica	Citrus	Rutaceae
Viscum angulatum heyne	Viscum	Viscaceae
Artemisia assoana	Artemisia	Asteraceae
Spiraea formosa	Spiraea	Rosaceae
Goupia tomentosa	Goupia	Goupiaceae
Aglaia cordata	Aglaia	Meliaceae
Dumortiera hirsuta	Dumortiera	Dumortieraceae
Lepisorus ussuriensis	Lepisorus	Polypodiaceae
Alstonia spathulata	Alstonia	Apocynaceae
Phoebe pittieri	Phoebe	Lauraceae
Syringa pubescens subsp. patula	Syringa	Oleaceae
Hypericum laricifolium	Hypericum	Hypericaceae
Epimedium pubescens	Epimedium	Berberidaceae
Cichorium glandulosum	Cichorium	Asteraceae
Vitis vinifera	Vitis	Vitaceae
Adiantum lunulatum	Adiantum	Pteridaceae
Peltostigma guatemalense	Peltostigma	Rutaceae
Sparganium stoloniferum	Sparganium	Typhaceae
Acacia adunca	Acacia	Fabaceae
Pleione bulbocodioides	Pleione	Orchidaceae
Cremastra appendiculata	Cremastra	Orchidaceae
Xanthium sibiricum	Xanthium	Asteraceae
Viguiera incana	Viguiera	Asteraceae
Astragalus sempervirens	Astragalus	Fabaceae
Attalea excelsa	Attalea	Arecaceae
Marrubium anisodon	Marrubium	Lamiaceae
Hedyotis diffusae herba	Hedyotis	Rubiaceae
Wikstroemia retusa	Wikstroemia	Thymelaeaceae
Styrax japonicus	Styrax	Styracaceae
Naucleopsis ternstroemiiflora	Naucleopsis	Moraceae
Medicago sativa	Medicago	Fabaceae
Eupatorium recurvans	Eupatorium	Asteraceae
Cardiospermum hirsutum	Cardiospermum	Sapindaceae
Fagopyrum cymosum	Fagopyrum	Polygonaceae
Tripolium pannonicum	Tripolium	Asteraceae
Melia azedarach	Melia	Meliaceae
Epimedium grandiflorum	Epimedium	Berberidaceae
Stemona tuberosa	Stemona	Stemonaceae
Coreopsis nodosa	Coreopsis	Asteraceae
Saxifraga stolonifera	Saxifraga	Saxifragaceae
Stephania sasakii	Stephania	Menispermaceae
Murdannia triquetra	Murdannia	Commelinaceae
Tanacetum balsamitoides	Tanacetum	Asteraceae
Bidens pilosa	Bidens	Asteraceae
Mucuna urens	Mucuna	Fabaceae
Artemisia pedemontana	Artemisia	Asteraceae
Phlomis nissolii	Phlomis	Lamiaceae
Uvaria calamistrata	Uvaria	Annonaceae
Dracocephalum moldavica	Dracocephalum	Lamiaceae
Combretum indicum	Combretum	Combretaceae
Eucalyptus rubida	Eucalyptus	Myrtaceae
Punica granatum	Punica	Lythraceae
Eucalyptus kitsoni	Eucalyptus	Myrtaceae
Lepidium graminifolium	Lepidium	Brassicaceae
Amomum melegueta	Amomum	Zingiberaceae
Drosera indica	Drosera	Droseraceae
Gastrodia elata	Gastrodia	Orchidaceae
Eurya japonica	Eurya	Pentaphylacaceae
Calea cuneifolia	Calea	Asteraceae
Haematococcus lacustris	Haematococcus	Haematococcaceae
Astragalus bisulcatus	Astragalus	Fabaceae
Urtica dioica	Urtica	Urticaceae
Epimedium koreanum	Epimedium	Berberidaceae
Pinus flexilis	Pinus	Pinaceae
Brachyglottis bidwillii	Brachyglottis	Asteraceae
Orobanche coerulescens	Orobanche	Orobanchaceae
Galium mollugo	Galium	Rubiaceae
Drummondita hassellii	Drummondita	Rutaceae
Aconitum napellus	Aconitum	Ranunculaceae
Ephedra distachya	Ephedra	Ephedraceae
Bridelia moonii	Bridelia	Phyllanthaceae
Typha latifolia	Typha	Typhaceae
Achillea nana	Achillea	Asteraceae
Senegalia mellifera	Senegalia	Fabaceae
Psilotum nudum	Psilotum	Psilotaceae
Uncaria sterrophylla	Uncaria	Rubiaceae
Vicia amoena	Vicia	Fabaceae
Flindersia xanthoxyla	Flindersia	Rutaceae
Calea lantanoides	Calea	Asteraceae
Toxicodendron succedaneum	Toxicodendron	Anacardiaceae
Bothriocline ripensis	Bothriocline	Asteraceae
Ballota limbata	Ballota	Lamiaceae
Boenninghausenia albiflora	Boenninghausenia	Rutaceae
Cibotium barometz	Cibotium	Cibotiaceae
Dysosma pleianthum	Dysosma	Berberidaceae
Coronilla cretica	Coronilla	Fabaceae
Xanthium strumarium	Xanthium	Asteraceae
Gardenia imperialis	Gardenia	Rubiaceae
Rumex maritimus	Rumex	Polygonaceae
Salicornia herbacea	Salicornia	Chenopodiaceae
Grindelia scorzonerifolia	Grindelia	Asteraceae
Lonchocarpus atropurpureus	Lonchocarpus	Fabaceae
Baccharoides lasiopus	Baccharoides	Asteraceae
Maackia floribunda	Maackia	Fabaceae
Plumbagella micrantha	Plumbagella	Plumbaginaceae
Smilax china	Smilax	Smilacaceae
Spatholobus suberectus	Spatholobus	Fabaceae
Saussurea costus	Saussurea	Asteraceae
Mallotus philippensis	Mallotus	Euphorbiaceae
Sorbus coronata	Sorbus	Rosaceae
Chaenomeles sinensis	Chaenomeles	Rosaceae
Orobanche pycnostachya	Orobanche	Orobanchaceae
Nephrolepis biserrata	Nephrolepis	Lomariopsidaceae
Artemisia carvifolia	Artemisia	Asteraceae
Pteris plumbea	Pteris	Pteridaceae
Tanacetum parthenifolium	Tanacetum	Asteraceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Trichilia catigua	Trichilia	Meliaceae
Anacyclus monanthos	Anacyclus	Asteraceae
Philadelphus coronarius	Philadelphus	Hydrangeaceae
Ulmus campestris	Ulmus	Ulmaceae
Pterocarpus macrocarpus	Pterocarpus	Fabaceae
Meliosma wightii	Meliosma	Sabiaceae
Simaba cuneata	Simaba	Simaroubaceae
Thalictrum podocarpum	Thalictrum	Ranunculaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Polygala fruticosa	Polygala	Polygalaceae
Huperzia selago	Huperzia	Lycopodiaceae
Prunus speciosa	Prunus	Rosaceae
Kielmeyera rubriflora	Kielmeyera	Calophyllaceae
Notholaena lemmonii	Notholaena	Pteridaceae
Mikania cordifolia	Mikania	Asteraceae
Turbina corymbosa	Turbina	Convolvulaceae
Sorbaria arborea	Sorbaria	Rosaceae
Hakea trifurcata	Hakea	Proteaceae
Scandix pecten-veneris	Scandix	Apiaceae
Astragalus siculus	Astragalus	Fabaceae
Syzygium levinei	Syzygium	Myrtaceae
Aloe spicata	Aloe	Asphodelaceae
Corydalis pallida	Corydalis	Papaveraceae
Chasmanthera dependens	Chasmanthera	Menispermaceae
Guizotia scabra	Guizotia	Asteraceae
Senecio miser	Senecio	Asteraceae
Larix lyallii	Larix	Pinaceae
Crepis czerepanovii	Crepis	Asteraceae
Campanula hypopolia	Campanula	Campanulaceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae
Hymenoxys grandiflora	Hymenoxys	Asteraceae
Urginea riparia	Urginea	Hyacinthaceae
Oroxylum indicum	Oroxylum	Bignoniaceae
Pteris pedata	Pteris	Pteridaceae
Othonna tagetes	Othonna	Asteraceae
Agave cocui	Agave	Asparagaceae
Prunus mume	Prunus	Rosaceae
Coleus frederici	Coleus	Lamiaceae
Vincetoxicum atratum	Vincetoxicum	Apocynaceae
Panax ginseng	Panax	Araliaceae
Libanotis intermedia	Libanotis	Apiaceae
Angelica acutiloba	Angelica	Apiaceae
Bupleurum chinense	Bupleurum	Apiaceae
Pogostemon cablin	Pogostemon	Lamiaceae
Samadera indica	Samadera	Simaroubaceae
Aloe	Aloe	Asphodelaceae
Hippophae fructus	Hippophae	Elaeagnaceae
Aloe africana	Aloe	Xanthorrhoeaceae
Equisetum hiemale	Equisetum	Equisetaceae
Bupleurum falcatum	Bupleurum	Apiaceae
Calostephane divaricata	Calostephane	Asteraceae
Chlamydomonas reinhardtii	Chlamydomonas	Chlamydomonadaceae
Michelia longifolia	Michelia	Magnoliaceae
Arum ternatum thunb	Arum	Araceae
Capuronianthus mahafalensis	Capuronianthus	Meliaceae
Epimedium brevicornu	Epimedium	Berberidaceae
Glycine tomentella	Glycine	Fabaceae
Ligusticum lucidum	Ligusticum	Apiaceae
Tussilago farfara	Tussilago	Asteraceae
Typha angustata	Typha	Typhaceae
Eupatorium fortunei turcz	Eupatorium	Asteraceae
Hymenothrix wislizenii	Hymenothrix	Asteraceae
Salvia miltiorrhiza	Salvia	Lamiaceae
Ziziphus jujuba	Ziziphus	Rhamnaceae
Lagotis brevituba	Lagotis	Plantaginaceae
Vaccinium oxycoccos	Vaccinium	Ericaceae
Hedysarum polybotrys	Hedysarum	Fabaceae
Caragana aurantiaca	Caragana	Fabaceae
Euphorbia jolkinii	Euphorbia	Euphorbiaceae
Psiadia arabica	Psiadia	Asteraceae
Gomesa radicans	Gomesa	Orchidaceae
Smilax glabra	Smilax	Smilacaceae
Greenwayodendron oliveri	Greenwayodendron	Annonaceae
Panax schinseng	Panax	Araliaceae
Geranium wilfordii maxim	Geranium	Geraniaceae
Premna odorata	Premna	Lamiaceae
Allium azureum ledeb	Allium	Amaryllidaceae
Garcinia pyrifera	Garcinia	Clusiaceae
Euonymus atropurpurea	Euonymus	Celastraceae
Senecio paludaffinis	Senecio	Asteraceae
Solanum olgae	Solanum	Solanaceae
Rehmannia glutinosa	Rehmannia	Orobanchaceae
Ophryosporus floribundus	Ophryosporus	Asteraceae
Piper marginatum	Piper	Piperaceae
Cotyledon secunda	Cotyledon	Crassulaceae
Helichrysum dendroideum	Helichrysum	Asteraceae
Helichrysum zeyheri	Helichrysum	Asteraceae
Artemisia lactiflora	Artemisia	Asteraceae
Epimedium wushanense	Epimedium	Berberidaceae
Herbertus aduncus	Herbertus	Herbertaceae
Ventilago madraspatana	Ventilago	Rhamnaceae
Elaeodendron alluaudianum	Elaeodendron	Celastraceae
Rauvolfia vomitoria	Rauvolfia	Apocynaceae
Gnetum latifolium	Gnetum	Gnetaceae
Suaeda salsa	Suaeda	Chenopodiaceae
Catalpa ovata	Catalpa	Bignoniaceae
Cichorium intybus	Cichorium	Asteraceae

Ingredient ID: NPC228980
Formula: C15H26N2

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	C1CC[C@@H]2N(C1)C[C@@H]1C[C@H]2CN2[C@@H]1CCCC2
Standard InCHI	InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m0/s1
Standard InCHIKey	SLRCCWJSBJZJBV-ZQDZILKHSA-N
Ingredient External Links	PubChem CID: 644020 ZINC ID: ZINC000001408502 ChEMBL ID: CHEMBL1908847
Plant-Ingredient Association Reference	Database: NPASS [NPC228980]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Chelidonium majus	Chelidonium	Papaveraceae
Leontice robustum	Leontice	Berberidaceae
Thermopsis lanceolata	Thermopsis	Fabaceae
Ocimum basilicum	Ocimum	Lamiaceae
Magnolia coco	Magnolia	Magnoliaceae
Cytisus scoparius	Cytisus	Fabaceae
Lupinus luteus	Lupinus	Fabaceae

Ingredient ID: NPC227683
Formula: C20H19NO6

Common Name	Taspine
IUPAC Name	n.a.
Canonical SMILES	COc1cc(CCN(C)C)c2c3c1oc(=O)c1c3c(oc2=O)c(cc1)OC
Standard InCHI	InChI=1S/C20H19NO6/c1-21(2)8-7-10-9-13(25-4)18-16-14(10)20(23)27-17-12(24-3)6-5-11(15(16)17)19(22)26-18/h5-6,9H,7-8H2,1-4H3
Standard InCHIKey	MTAWKURMWOXCEO-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 215159 ZINC ID: ZINC000001702514 ChEMBL ID: CHEMBL470867
Plant-Ingredient Association Reference	Database: NPASS [NPC227683]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Leontice robustum	Leontice	Berberidaceae

Ingredient ID: NPC223070
Formula: C15H21NO7

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)O)/C(=C[C@@H]1OC(=O)[C@@H]([C@@H]1O)C)/C
Standard InCHI	InChI=1S/C15H21NO7/c1-6(3-10-13(19)7(2)15(22)23-10)9-5-16-12(14(20)21)8(9)4-11(17)18/h3,7-10,12-13,16,19H,4-5H2,1-2H3,(H,17,18)(H,20,21)/b6-3-/t7-,8+,9-,10+,12+,13+/m1/s1
Standard InCHIKey	QAPZTOGRKYULRD-QCCPTGMXSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD178101]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Ingredient ID: NPC220033
Formula: C15H19ClO

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CC=C[C@H]1CC=CC[C@H]([C@H](O1)C/C=CC#C)Cl
Standard InCHI	InChI=1S/C15H19ClO/c1-3-5-6-12-15-14(16)11-8-7-10-13(17-15)9-4-2/h1,4-9,13-15H,10-12H2,2H3/b6-5-,8-7?,9-4?/t13-,14+,15+/m0/s1
Standard InCHIKey	RYCMNZMJYZRUAM-MAWAYBCLSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD226780]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Ingredient ID: NPC219133
Formula: C15H21NO6

Common Name	n.a.
IUPAC Name	(2S,3S,4S)-4-[(2E,5E)-6-carboxyhepta-2,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
Canonical SMILES	OC(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)O)/C(=C/C/C=C(/C(=O)O)C)/C
Standard InCHI	InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h4-5,10-11,13,16H,3,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b8-4+,9-5+/t10-,11+,13-/m0/s1
Standard InCHIKey	DDAJBUQQWFXHDM-HKHGPXCKSA-N
Ingredient External Links	PubChem CID: 6442550 ZINC ID: ZINC000033955410
Plant-Ingredient Association Reference	Database: UNPD []

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Ingredient ID: NPC218302
Formula: C15H21NO6

Common Name	n.a.
IUPAC Name	(2S,3S,4S)-4-[(2Z,5E)-6-carboxyhepta-2,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
Canonical SMILES	OC(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)O)/C(=CC/C=C(/C(=O)O)C)/C
Standard InCHI	InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h4-5,10-11,13,16H,3,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b8-4-,9-5+/t10-,11+,13-/m0/s1
Standard InCHIKey	DDAJBUQQWFXHDM-UUYKTWPLSA-N
Ingredient External Links	PubChem CID: 6442601 ZINC ID: ZINC000033955426
Plant-Ingredient Association Reference	Database: UNPD []

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Ingredient ID: NPC210491
Formula: C14H19NO6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC(=O)C/C=C/C=C(/[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O)C
Standard InCHI	InChI=1S/C14H19NO6/c1-8(4-2-3-5-11(16)17)10-7-15-13(14(20)21)9(10)6-12(18)19/h2-4,9-10,13,15H,5-7H2,1H3,(H,16,17)(H,18,19)(H,20,21)/b3-2+,8-4+/t9-,10+,13-/m0/s1
Standard InCHIKey	DMRLVPYGNHGWOO-ZKRDDCEXSA-N
Ingredient External Links	ZINC ID: ZINC000095913923
Plant-Ingredient Association Reference	Database: UNPD []

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Ingredient ID: NPC203143
Formula: C30H52Br2O6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	Br[C@@H]1CC[C@@]2([C@H](OC1(C)C)CC[C@@]1([C@@H](O2)CC[C@@H](O1)[C@@](CC[C@@H]1OC(C)(C)[C@@H](CC[C@]1(C)O)Br)(O)C)C)C
Standard InCHI	InChI=1S/C30H52Br2O6/c1-25(2)19(31)11-15-27(5,33)22(35-25)13-16-28(6,34)21-9-10-23-30(8,37-21)18-14-24-29(7,38-23)17-12-20(32)26(3,4)36-24/h19-24,33-34H,9-18H2,1-8H3/t19-,20-,21-,22+,23+,24-,27+,28-,29-,30-/m1/s1
Standard InCHIKey	HQWJZHVIHPJUEI-WCBNQFHPSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD8476]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Ingredient ID: NPC193947
Formula: C15H21BrO

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	C#C/C=CC[C@@H]1CCCC=C[C@@H]([C@@H](O1)CC)Br
Standard InCHI	InChI=1S/C15H21BrO/c1-3-5-7-10-13-11-8-6-9-12-14(16)15(4-2)17-13/h1,5,7,9,12-15H,4,6,8,10-11H2,2H3/b7-5-,12-9?/t13-,14+,15+/m1/s1
Standard InCHIKey	NDQADFJKKHDIGT-DMIHGHCOSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD228866]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Ingredient ID: NPC190576
Formula: C30H51BrO5

Common Name	n.a.
IUPAC Name	(2R)-2-[(2S,5S)-5-[(2R,4aS,6R,8aR)-2-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol
Canonical SMILES	CC(=CCC[C@]([C@@H]1CC[C@@](O1)(C)[C@H]1CC[C@@H]2[C@](O1)(C)CC[C@@H](O2)[C@]1(C)CC[C@H](C(O1)(C)C)Br)(O)C)C
Standard InCHI	InChI=1S/C30H51BrO5/c1-20(2)10-9-16-27(5,32)22-14-18-29(7,34-22)25-12-11-23-28(6,35-25)19-15-24(33-23)30(8)17-13-21(31)26(3,4)36-30/h10,21-25,32H,9,11-19H2,1-8H3/t21-,22+,23-,24-,25-,27-,28+,29+,30+/m1/s1
Standard InCHIKey	GNYKSGURCLGHOD-KMJZPMASSA-N
Ingredient External Links	PubChem CID: 101519535
Plant-Ingredient Association Reference	Database: UNPD [UNPD201837]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Ingredient ID: NPC189572
Formula: C15H21NO7

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)O)/C(=C[C@H]1OC(=O)[C@@H]([C@@H]1O)C)/C
Standard InCHI	InChI=1S/C15H21NO7/c1-6(3-10-13(19)7(2)15(22)23-10)9-5-16-12(14(20)21)8(9)4-11(17)18/h3,7-10,12-13,16,19H,4-5H2,1-2H3,(H,17,18)(H,20,21)/b6-3-/t7-,8+,9-,10-,12+,13+/m1/s1
Standard InCHIKey	QAPZTOGRKYULRD-FGVLGEFLSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD64357]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Ingredient ID: NPC182635
Formula: C15H21NO7

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)O)/C(=C[C@@H]1OC(=O)[C@@H]([C@H]1O)C)/C
Standard InCHI	InChI=1S/C15H21NO7/c1-6(3-10-13(19)7(2)15(22)23-10)9-5-16-12(14(20)21)8(9)4-11(17)18/h3,7-10,12-13,16,19H,4-5H2,1-2H3,(H,17,18)(H,20,21)/b6-3-/t7-,8+,9-,10+,12+,13-/m1/s1
Standard InCHIKey	QAPZTOGRKYULRD-KZROGLGVSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD147651]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Ingredient ID: NPC179694
Formula: C15H30OS

Common Name	n.a.
IUPAC Name	pentadecanethioic S-acid
Canonical SMILES	CCCCCCCCCCCCCCC(=O)S
Standard InCHI	InChI=1S/C15H30OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
Standard InCHIKey	LGOPTUPXVVNJFH-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 18413781
Plant-Ingredient Association Reference	Database: TCMID [23175]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Liquidambar orientalis	Liquidambar	Altingiaceae
Dolomiaea souliei	Dolomiaea	Asteraceae
Paederia scandens	Paederia	Rubiaceae
Strophanthus sarmentosus var. senegambiae	Strophanthus	Apocynaceae
Amomum villosum	Amomum	Zingiberaceae
Leontice robustum	Leontice	Berberidaceae
Changium smyrnioides	Changium	Apiaceae
Prunus persica	Prunus	Rosaceae
Dioscorea collettii var. hypoglauca	Dioscorea	Dioscoreaceae
Angelica sinensis	Angelica	Apiaceae
Murraya kwangsiensis	Murraya	Rutaceae
Codonopsis pilosula	Codonopsis	Campanulaceae
Elsholtzia bodinieri	Elsholtzia	Lamiaceae
Dioscorea septemloba	Dioscorea	Dioscoreaceae
Zanthoxylum planispinum	Zanthoxylum	Rutaceae
Diospyros kaki	Diospyros	Ebenaceae
Saussurea involucrata	Saussurea	Asteraceae
Cephalotaxus fortunei	Cephalotaxus	Taxaceae
Ligusticum sinense	Ligusticum	Apiaceae
Lygodium japonicum	Lygodium	Lygodiaceae
Akebia quinata	Akebia	Lardizabalaceae
Senecio scandens	Senecio	Asteraceae
Rubus idaeus	Rubus	Rosaceae
Combretum indicum	Combretum	Combretaceae
Lycopus lucidus	Lycopus	Lamiaceae
Solanum nigrum	Solanum	Solanaceae
Ficus carica	Ficus	Moraceae
Jatropha curcas	Jatropha	Euphorbiaceae
Paeonia veitchii	Paeonia	Paeoniaceae
Aristolochia debilis	Aristolochia	Aristolochiaceae
Eriobotrya japonica	Eriobotrya	Rosaceae
Chaenomeles sinensis	Chaenomeles	Rosaceae
Terminalia chebula	Terminalia	Combretaceae
Pteris multifida	Pteris	Pteridaceae
Taraxacum mongolicum	Taraxacum	Asteraceae
Cynomorium songaricum	Cynomorium	Cynomoriaceae
Artemisia argyi	Artemisia	Asteraceae
Prunus mume	Prunus	Rosaceae
Panax ginseng	Panax	Araliaceae
Aesculus chinensis	Aesculus	Sapindaceae
Bupleurum chinense	Bupleurum	Apiaceae
Melia indica	Melia	Meliaceae
Syzygium aromaticum	Syzygium	Myrtaceae
Flemingia philippinensis	Flemingia	Fabaceae
Phlomoides rotata	Phlomoides	Lamiaceae
Scrophularia ningpoensis	Scrophularia	Scrophulariaceae
Aconitum carmichaelii	Aconitum	Ranunculaceae
Silybum marianum	Silybum	Asteraceae
Clematis chinensis	Clematis	Ranunculaceae
Tylophora ovata	Tylophora	Apocynaceae
Ixora chinensis	Ixora	Rubiaceae
Brassica oleracea var. sabauda	Brassica	Brassicaceae
Perilla frutescens	Perilla	Lamiaceae
Euphorbia wallichii	Euphorbia	Euphorbiaceae
Craibiodendron yunnanese	Craibiodendron	Ericaceae

Ingredient ID: NPC1758
Formula: C30H52Br2O6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	Br[C@H]1CC[C@@]2([C@@H](OC1(C)C)CC[C@@]1([C@@H](O2)CC[C@@H](O1)[C@@](CC[C@@H]1OC(C)(C)[C@@H](CC[C@@]1(C)O)Br)(O)C)C)C
Standard InCHI	InChI=1S/C30H52Br2O6/c1-25(2)19(31)11-15-27(5,33)22(35-25)13-16-28(6,34)21-9-10-23-30(8,37-21)18-14-24-29(7,38-23)17-12-20(32)26(3,4)36-24/h19-24,33-34H,9-18H2,1-8H3/t19-,20+,21-,22+,23+,24+,27-,28-,29-,30-/m1/s1
Standard InCHIKey	HQWJZHVIHPJUEI-JEKRXEKZSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD19439]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Ingredient ID: NPC175260
Formula: C22H32Br2O4

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CC(=O)O[C@]1(CC[C@H](C(C1)(C)C)Br)C[C@H]1CC[C@]23[C@H]1[C@](C)(CC[C@H]2Br)OC3=O
Standard InCHI	InChI=1S/C22H32Br2O4/c1-13(25)27-21(9-7-15(23)19(2,3)12-21)11-14-5-10-22-16(24)6-8-20(4,17(14)22)28-18(22)26/h14-17H,5-12H2,1-4H3/t14-,15-,16-,17-,20+,21-,22-/m1/s1
Standard InCHIKey	SJYSXOUMHQMJSR-LHGAXIIMSA-N
Ingredient External Links	PubChem CID: 46703591
Plant-Ingredient Association Reference	Database: UNPD [UNPD201836]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Ingredient ID: NPC149949
Formula: C15H21NO6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC(=O)C[C@H]1[C@@H](CN[C@@H]1C(=O)O)C(=C)CC/C=C(/C(=O)O)C
Standard InCHI	InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h5,10-11,13,16H,1,3-4,6-7H2,2H3,(H,17,18)(H,19,20)(H,21,22)/b9-5+/t10-,11-,13-/m0/s1
Standard InCHIKey	OKFIHTSZDXUGQB-JMUNMBIQSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD37744]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Ingredient ID: NPC14330
Formula: C5H4N4O

Common Name	Hypoxanthine
IUPAC Name	3,7-dihydropurin-6-one
Canonical SMILES	Oc1ncnc2c1nc[nH]2
Standard InCHI	InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
Standard InCHIKey	FDGQSTZJBFJUBT-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 790 ChEMBL ID: CHEMBL1427
Plant-Ingredient Association Reference	Database: UNPD [UNPD77089] Database: NPASS [NPC14330]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Aloe vera	Aloe	Xanthorrhoeaceae
Pinellia pedatisecta	Pinellia	Araceae
Leontice robustum	Leontice	Berberidaceae
Fritillaria delavayi	Fritillaria	Liliaceae
Fritillaria verticillata	Fritillaria	Liliaceae
Fritillaria cirrhosa	Fritillaria	Liliaceae
Fritillaria prezewalskii	Fritillaria	Liliaceae
Aloe ferox	Aloe	Asphodelaceae
Fritillaria unibracteata	Fritillaria	Liliaceae
Lycium chinense	Lycium	Solanaceae
Amomum melegueta	Amomum	Zingiberaceae
Fritillaria przewalskii	Fritillaria	Liliaceae
Euryale ferox	Euryale	Nymphaeaceae
Arisaema heterophyllum	Arisaema	Araceae
Fritillaria taipaiensis	Fritillaria	Liliaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Arisaema amurense	Arisaema	Araceae
Prunus speciosa	Prunus	Rosaceae
Typha orientalis	Typha	Typhaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Aloe spicata	Aloe	Asphodelaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae
Aloe africana	Aloe	Xanthorrhoeaceae
Isatis tinctoria	Isatis	Brassicaceae
Arum ternatum thunb	Arum	Araceae
Arisaema erubescens	Arisaema	Araceae
Ziziphus jujuba	Ziziphus	Rhamnaceae
Rehmannia glutinosa	Rehmannia	Orobanchaceae
Persicaria tinctoria	Persicaria	Polygonaceae
Typha angustifolia	Typha	Typhaceae

Ingredient ID: NPC141614
Formula: C30H52Br2O6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	Br[C@@H]1CC[C@@]2([C@@H](OC1(C)C)CC[C@@]1([C@@H](O2)CC[C@@H](O1)[C@@](CC[C@@H]1OC(C)(C)[C@@H](CC[C@@]1(C)O)Br)(O)C)C)C
Standard InCHI	InChI=1S/C30H52Br2O6/c1-25(2)19(31)11-15-27(5,33)22(35-25)13-16-28(6,34)21-9-10-23-30(8,37-21)18-14-24-29(7,38-23)17-12-20(32)26(3,4)36-24/h19-24,33-34H,9-18H2,1-8H3/t19-,20-,21-,22+,23+,24+,27-,28-,29-,30-/m1/s1
Standard InCHIKey	HQWJZHVIHPJUEI-WCJWOITNSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD7797]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Ingredient ID: NPC13006
Formula: C15H21NO6

Common Name	n.a.
IUPAC Name	(2S,3S,4S)-4-[(5E)-6-carboxyhepta-1,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
Canonical SMILES	OC(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)O)C(=C)CC/C=C(/C(=O)O)C
Standard InCHI	InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h5,10-11,13,16H,1,3-4,6-7H2,2H3,(H,17,18)(H,19,20)(H,21,22)/b9-5+/t10-,11+,13-/m0/s1
Standard InCHIKey	OKFIHTSZDXUGQB-PGPNUJALSA-N
Ingredient External Links	PubChem CID: 11301378 ZINC ID: ZINC000095912418
Plant-Ingredient Association Reference	Database: UNPD []

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Ingredient ID: NPC127045
Formula: C15H21NO6

Common Name	n.a.
IUPAC Name	(2S,3S,4S)-4-[(2Z,4Z,6R)-6-carboxyhepta-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid
Canonical SMILES	OC(=O)C[C@H]1[C@H](CN[C@@H]1C(=O)O)/C(=CC=C/[C@H](C(=O)O)C)/C
Standard InCHI	InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3-,8-4-/t9-,10+,11-,13+/m1/s1
Standard InCHIKey	VZFRNCSOCOPNDB-PQKHEMERSA-N
Ingredient External Links	PubChem CID: 6442551 ZINC ID: ZINC000013515297
Plant-Ingredient Association Reference	Database: UNPD []

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Ingredient ID: NPC12053
Formula: C20H23NO4

Common Name	n.a.
IUPAC Name	(6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-ium-1,11-diol
Canonical SMILES	COc1ccc2c(c1O)c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3
Standard InCHI	InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1
Standard InCHIKey	YLRXAIKMLINXQY-ZDUSSCGKSA-O
Ingredient External Links	PubChem CID: 73337 ZINC ID: ZINC000000519823
Plant-Ingredient Association Reference	Database: NPASS [NPC12053]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tinospora capillipes	Tinospora	Menispermaceae
Acnistus arborescens	Acnistus	Solanaceae
Epimedium sagittatum	Epimedium	Berberidaceae
Berberis fortunei	Berberis	Berberidaceae
Magnolia obovata	Magnolia	Magnoliaceae
Leontice robustum	Leontice	Berberidaceae
Caltha palustris	Caltha	Ranunculaceae
Stephania tetrandra	Stephania	Menispermaceae
Sinomenium acutum	Sinomenium	Menispermaceae
Epimedium sempervirens	Epimedium	Berberidaceae
Thalictrum foliolosum	Thalictrum	Ranunculaceae
Coptis japonica	Coptis	Ranunculaceae
Corydalis turtschaninovii	Corydalis	Papaveraceae
Dunaliella salina	Dunaliella	Dunaliellaceae
Aristolochia contorta	Aristolochia	Aristolochiaceae
Magnolia denudata	Magnolia	Magnoliaceae
Garcinia paucinervis	Garcinia	Clusiaceae
Aristolochia heterophylla	Aristolochia	Aristolochiaceae
Epimedium pubescens	Epimedium	Berberidaceae
Glycyrrhiza inflata	Glycyrrhiza	Fabaceae
Berberis amurensis	Berberis	Berberidaceae
Cyclea racemosa	Cyclea	Menispermaceae
Aristolochia manshuriensis	Aristolochia	Aristolochiaceae
Berberis thunbergii	Berberis	Berberidaceae
Epimedium grandiflorum	Epimedium	Berberidaceae
Panax quinquefolius	Panax	Araliaceae
Thalictrum minus var. hypoleucum	Thalictrum	Ranunculaceae
Pilosocereus chrysacanthus	Pilosocereus	Cactaceae
Hylomecon japonica	Hylomecon	Papaveraceae
Stephania pierrei	Stephania	Menispermaceae
Phellodendron chinense	Phellodendron	Rutaceae
Coptis deltoidea	Coptis	Ranunculaceae
Epimedium koreanum	Epimedium	Berberidaceae
Coptis teetoides	Coptis	Ranunculaceae
Phellodendron amurense	Phellodendron	Rutaceae
Aristolochia debilis	Aristolochia	Aristolochiaceae
Magnolia sprengeri	Magnolia	Magnoliaceae
Corydalis ternata	Corydalis	Papaveraceae
Paratinospora sagittata	Paratinospora	Menispermaceae
Phellodendron chinese	Phellodendron	Rutaceae
Croton cumingii	Croton	Euphorbiaceae
Coptis teeta	Coptis	Ranunculaceae
Litsea cubeba	Litsea	Lauraceae
Magnolia officinalis	Magnolia	Magnoliaceae
Epimedium brevicornu	Epimedium	Berberidaceae
Berberis japonica	Berberis	Berberidaceae
Coptis chinensis	Coptis	Ranunculaceae
Ziziphus jujuba	Ziziphus	Rhamnaceae
Corydalis yanhusuo	Corydalis	Papaveraceae
Epimedium wushanense	Epimedium	Berberidaceae

Ingredient ID: NPC118429
Formula: C6H13N3O3

Common Name	n.a.
IUPAC Name	(2S)-2-azaniumyl-5-(carbamoylamino)pentanoate
Canonical SMILES	OC(=N)NCCC[C@@H](C(=O)O)N
Standard InCHI	InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1
Standard InCHIKey	RHGKLRLOHDJJDR-BYPYZUCNSA-N
Ingredient External Links	PubChem CID: 6992098
Plant-Ingredient Association Reference	Database: UNPD [UNPD1128] Database: NPASS [NPC118429]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Arabidopsis thaliana	Arabidopsis	Brassicaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae
Piper nigrum	Piper	Piperaceae
Glycyrrhiza glabra	Glycyrrhiza	Fabaceae

Ingredient ID: NPC109951
Formula: C35H56O9

Common Name	n.a.
IUPAC Name	(4aR,5R,6aR,6aS,6bR,9R,10S,12aR,14bS)-5-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Canonical SMILES	OC[C@]1(C)[C@H](CC[C@]2(C1CC[C@@]1([C@@H]2CC=C2[C@@]1(C)C[C@@H](O)[C@@]1([C@H]2CC(CC1)(C)C)C(=O)O)C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C35H56O9/c1-30(2)13-14-35(29(41)42)20(15-30)19-7-8-23-31(3)11-10-25(44-28-27(40)26(39)21(37)17-43-28)32(4,18-36)22(31)9-12-33(23,5)34(19,6)16-24(35)38/h7,20-28,36-40H,8-18H2,1-6H3,(H,41,42)/t20-,21-,22?,23+,24+,25-,26-,27+,28-,31-,32-,33+,34+,35+/m0/s1
Standard InCHIKey	FCPRBNDLDDAHLC-PWEBOEAPSA-N
Ingredient External Links	PubChem CID: 10054631
Plant-Ingredient Association Reference	Database: TCMID [3341]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Leontice robustum	Leontice	Berberidaceae

Ingredient ID: NPC107421
Formula: C30H51BrO6

Common Name	n.a.
IUPAC Name	(E,6R)-6-[(2S,5S)-5-[(2R,4aS,6R,8aR)-2-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-5-methyloxolan-2-yl]-2-methylhept-3-ene-2,6-diol
Canonical SMILES	Br[C@@H]1CC[C@@](OC1(C)C)(C)[C@H]1CC[C@]2([C@H](O1)CC[C@@H](O2)[C@]1(C)CC[C@H](O1)[C@@](C/C=C/C(O)(C)C)(O)C)C
Standard InCHI	InChI=1S/C30H51BrO6/c1-25(2,32)15-9-16-27(5,33)21-13-18-29(7,35-21)24-11-10-22-28(6,36-24)19-14-23(34-22)30(8)17-12-20(31)26(3,4)37-30/h9,15,20-24,32-33H,10-14,16-19H2,1-8H3/b15-9+/t20-,21+,22-,23-,24-,27-,28+,29+,30+/m1/s1
Standard InCHIKey	LNPHICKKKGHENP-HPEILCDZSA-N
Ingredient External Links	PubChem CID: 46703589
Plant-Ingredient Association Reference	Database: UNPD [UNPD201838]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Ingredient ID: NPC103501
Formula: C15H20BrClO

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CC[C@H]([C@H]1CC=CC[C@H]([C@H](O1)C/C=CC#C)Cl)Br
Standard InCHI	InChI=1S/C15H20BrClO/c1-3-5-6-11-15-13(17)9-7-8-10-14(18-15)12(16)4-2/h1,5-8,12-15H,4,9-11H2,2H3/b6-5-,8-7?/t12-,13-,14-,15-/m1/s1
Standard InCHIKey	BWALZYVILRSXNY-FGARJFSKSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD209894]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Ingredient ID: NPC102506
Formula: C30H50BrClO6

Common Name	n.a.
IUPAC Name	(2R,4S)-2-[(2S,5S)-5-[(2R,4aS,6R,8aR)-2-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-5-methyloxolan-2-yl]-4-chloro-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-ol
Canonical SMILES	Cl[C@H]([C@H]1OC1(C)C)C[C@]([C@@H]1CC[C@@](O1)(C)[C@H]1CC[C@@H]2[C@](O1)(C)CC[C@@H](O2)[C@]1(C)CC[C@H](C(O1)(C)C)Br)(O)C
Standard InCHI	InChI=1S/C30H50BrClO6/c1-25(2)19(31)11-14-30(8,38-25)22-13-16-28(6)21(34-22)9-10-23(36-28)29(7)15-12-20(35-29)27(5,33)17-18(32)24-26(3,4)37-24/h18-24,33H,9-17H2,1-8H3/t18-,19+,20-,21+,22+,23+,24+,27+,28-,29-,30-/m0/s1
Standard InCHIKey	LAGSZTCWDHVZKN-AMUPKOLXSA-N
Ingredient External Links	PubChem CID: 101519536
Plant-Ingredient Association Reference	Database: UNPD [UNPD201839]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Leontice robustum	Leontice	Berberidaceae
Amomum melegueta	Amomum	Zingiberaceae
Otholobium glandulosum	Otholobium	Fabaceae
Terminalia brachystemma	Terminalia	Combretaceae
Raoulia australis	Raoulia	Asteraceae
Anacyclus monanthos	Anacyclus	Asteraceae
Ulmus campestris	Ulmus	Ulmaceae
Corydalis tashiroi	Corydalis	Papaveraceae
Senecio chionophilus	Senecio	Asteraceae
Prunus speciosa	Prunus	Rosaceae
Mikania cordifolia	Mikania	Asteraceae
Hakea trifurcata	Hakea	Proteaceae
Astragalus siculus	Astragalus	Fabaceae
Guizotia scabra	Guizotia	Asteraceae
Euphorbia cuneata	Euphorbia	Euphorbiaceae
Arum palaestinum	Arum	Araceae

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
NPC102506	C30H50BrClO6	(2R,4S)-2-[(2S,5S)-5-[(2R,4aS,6R,8aR)-2-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-5-methyloxolan-2-yl]-4-chloro-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-ol	620.2479291	1.4385	3.88	6.094	6	1	69.68	6	5	38	1
NPC103501	C15H20BrClO		330.038605	3.508	2.78	4.436	1	0	9.23	4	1	18	0
NPC107421	C30H51BrO6	(E,6R)-6-[(2S,5S)-5-[(2R,4aS,6R,8aR)-2-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-5-methyloxolan-2-yl]-2-methylhept-3-ene-2,6-diol	586.2869015	0.7634	3.99	5.268	6	2	77.38	6	4	37	1
NPC109951	C35H56O9	(4aR,5R,6aR,6aS,6bR,9R,10S,12aR,14bS)-5-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid	620.3924334	-0.7702	4.32	6.032	9	6	156.91	4	6	44	2
NPC118429	C6H13N3O3		175.0956913	-1.7857	1.46	-2.513	6	5	119.43	9	0	12	0
NPC12053	C20H23NO4		342.1705332	-1.9843	3.11	1.008	0	2	58.92	8	4	25	0
NPC127045	C15H21NO6	(2S,3S,4S)-4-[(2Z,4Z,6R)-6-carboxyhepta-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid	311.1368874	-0.1859	2.34	-0.002	7	4	123.93	7	1	22	0
NPC13006	C15H21NO6	(2S,3S,4S)-4-[(5E)-6-carboxyhepta-1,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid	311.1368874	-0.1186	2.34	0.154	7	4	123.93	8	1	22	0
NPC141614	C30H52Br2O6		666.2130636	1.0392	3.88	6.444	6	2	77.38	4	4	38	1
NPC14330	C5H4N4O	Hypoxanthine	136.04	-0.8807	1.46	-0.597	4	2	74.69	1	2	10	0
NPC149949	C15H21NO6		311.1368874	-0.1186	2.34	0.154	7	4	123.93	8	1	22	0
NPC175260	C22H32Br2O4		518.0667337	2.1184	3.22	5.938	4	0	52.6	4	4	28	1
NPC1758	C30H52Br2O6		666.2130636	1.0392	3.88	6.444	6	2	77.38	4	4	38	1
NPC179694	C15H30OS	pentadecanethioic S-acid	258.2017366	-2.9824	2.89	7.418	1	0	55.87	13	0	17	2
NPC182635	C15H21NO7		327.131802	-1.0661	2.23	-1.064	8	4	133.16	5	2	23	0
NPC189572	C15H21NO7		327.131802	-1.0661	2.23	-1.064	8	4	133.16	5	2	23	0
NPC190576	C30H51BrO5	(2R)-2-[(2S,5S)-5-[(2R,4aS,6R,8aR)-2-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol	570.2919868	2.1668	4.1	6.722	5	1	57.15	6	4	36	1
NPC193947	C15H21BrO		296.0775774	1.9825	2.89	4.362	1	0	9.23	3	1	17	0
NPC203143	C30H52Br2O6		666.2130636	1.0392	3.88	6.444	6	2	77.38	4	4	38	1
NPC210491	C14H19NO6		297.1212373	-0.4459	2.23	-0.216	7	4	123.93	7	1	21	0
NPC218302	C15H21NO6	(2S,3S,4S)-4-[(2Z,5E)-6-carboxyhepta-2,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid	311.1368874	0.0281	2.34	0.298	7	4	123.93	7	1	22	0
NPC219133	C15H21NO6	(2S,3S,4S)-4-[(2E,5E)-6-carboxyhepta-2,5-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid	311.1368874	0.0281	2.34	0.298	7	4	123.93	7	1	22	0
NPC220033	C15H19ClO		250.1124429	3.8136	2.89	3.883	1	0	9.23	3	1	17	0
NPC223070	C15H21NO7		327.131802	-1.0661	2.23	-1.064	8	4	133.16	5	2	23	0
NPC227683	C20H19NO6	Taspine	369.12	0.1992	2.89	1.96	3	0	74.3	9	4	27	0
NPC228980	C15H26N2		234.21	-2.3058	2.89	2.12	2	0	6.48	0	4	17	0
NPC236709	C4H6O4	Succinic Acid	118.03	-0.41	1.46	-0.71	4	2	74.6	5	0	8	0
NPC242428	C15H21NO6	(2S,3S,4S)-4-[(2E,4Z,6R)-6-carboxyhepta-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid	311.1368874	-0.1859	2.34	-0.002	7	4	123.93	7	1	22	0
NPC26185	C20H30Br2O3		476.056169	1.7393	3.11	5.198	3	1	46.53	2	4	25	1
NPC265800	C30H50O	(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol	426.3861662	3.2313	4.65	11.901	1	1	20.23	1	5	31	1
NPC266441	C30H48O	(3aR,5aR,5bR,7aR,11aR,11bR,13aS)-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-3,4,5,6,7,7a,10,11,11b,12,13,13a-dodecahydro-2H-cyclopenta[a]chrysen-9-one	424.3705162	3.172	4.65	10.286	1	0	17.07	1	5	31	1
NPC271802	C15H24N2O		249.1966884	-4.0997	2.78	1.222	2	1	24.75	0	4	18	0
NPC27988	C5H9NO4	3-aminopentanedioic acid	147.0531578	-1.2103	1.46	-1.449	5	3	100.62	4	0	10	0
NPC28198	C35H56O8	Delta-Hederin	604.4	-0.1971	4.43	7.055	8	5	136.68	15	6	43	1
NPC285322	C4H7NO4	D-Aspartate	133.04	-1.3518	1.35	-3.707	5	3	100.62	6	0	9	0
NPC290606	C7H14N2O3	2-azaniumyl-5-(ethylamino)-5-oxopentanoate	174.1004423	-1.3531	1.68	-2.718	5	3	95.91	5	0	12	0
NPC300838	C53H86O22	[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6bR,9R,10S,12aR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate	1074.561074	-5.0953	4.87	2.949	22	13	353.9	12	9	75	3
NPC305717	C14H19NO2		233.1415788	-1.4766	2.67	1.919	2	1	40.54	5	2	17	0
NPC305938	C30H52Br2O6		666.2130636	1.0392	3.88	6.444	6	2	77.38	4	4	38	1
NPC34808	C15H21NO6	(2S,3S,4S)-4-[(2E,4E,6S)-6-carboxyhepta-2,4-dien-2-yl]-3-(carboxymethyl)pyrrolidine-2-carboxylic acid	311.1368874	-0.1859	2.34	-0.002	7	4	123.93	7	1	22	0
NPC40663	C15H21NO6	Domoic Acid	311.14	-0.1859	2.34	-0.002	7	4	123.93	12	1	22	0
NPC40908	C30H52Br2O6		666.2130636	1.0392	3.88	6.444	6	2	77.38	4	4	38	1
NPC59804	C41H66O13		766.4503422	-1.944	4.54	5.518	13	8	215.83	21	7	54	3
NPC65089	C27H44O	(3S,9S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol	384.339216	1.9408	4.32	8.887	1	1	20.23	5	4	28	1
NPC69374	C10H15NO4	Kainic Acid	213.1	-0.469	2.01	-0.213	5	3	86.63	7	1	15	0
NPC78710	C30H51BrO6		586.2869015	0.7634	3.99	5.268	6	2	77.38	4	4	37	1
NPC8104	C24H18N2O4	Caulerpin	398.13	-0.6232	3.44	5.678	6	2	84.18	6	5	30	1
NPC88447	C32H58Br2Cl2O4		734.2078899	3.2906	4.1	8.818	4	4	80.92	15	2	40	2
NPC95780	C36H72O2	pentyl hentriacontanoate	536.5532315	-8.8701	5.2	18.345	2	0	26.3	34	0	38	2

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Data Section	Select to Download
1. General Information & structure data (InChi, InChiKey, SMILES)
2. Physico-chemical Properties