CMAUP Plant Ingredients

38 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.

7 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: NPC75310
Formula: C20H26O5

Common Name	n.a.
IUPAC Name	[(4S,4aR,5S,8S,8aS)-8-hydroxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate
Canonical SMILES	C/C=C(C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@H]2[C@@]1(C)[C@@H](C)CC[C@@H]2O)/C
Standard InCHI	InChI=1S/C20H26O5/c1-6-10(2)19(23)25-18-14-11(3)9-24-17(14)16(22)15-13(21)8-7-12(4)20(15,18)5/h6,9,12-13,15,18,21H,7-8H2,1-5H3/b10-6-/t12-,13-,15-,18+,20+/m0/s1
Standard InCHIKey	FEVYLFPXBKQRPU-YZXFFQNQSA-N
Ingredient External Links	PubChem CID: 11739482
Plant-Ingredient Association Reference	PMID: 15387646 Database: NPASS [NPC75310]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Senecio chionophilus	Senecio	Asteraceae

Ingredient ID: NPC6984
Formula: C8H8O2

Common Name	4-Hydroxyacetophenone
IUPAC Name	1-(4-hydroxyphenyl)ethanone
Canonical SMILES	CC(=O)c1ccc(cc1)O
Standard InCHI	InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3
Standard InCHIKey	TXFPEBPIARQUIG-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 7469 ZINC ID: ZINC000000330136 ChEMBL ID: CHEMBL201083
Plant-Ingredient Association Reference	PMID: 15387646 Database: NPASS [NPC6984]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tripteris microcarpa	Tripteris	Asteraceae
Glechoma longituba	Glechoma	Lamiaceae
Lupinus pilosus	Lupinus	Fabaceae
Fabiana imbricata	Fabiana	Solanaceae
Artemisia capillaris	Artemisia	Asteraceae
Ligusticum jeholense	Ligusticum	Apiaceae
Cylindropuntia leptocaulis	Cylindropuntia	Cactaceae
Aphelandra chamissoniana	Aphelandra	Acanthaceae
Mesembryanthemum tortuosum	Mesembryanthemum	Aizoaceae
Ajuga australis	Ajuga	Lamiaceae
Bryopsis pennata	Bryopsis	Bryopsidaceae
Elaeagnus pungens	Elaeagnus	Elaeagnaceae
Pseudotsuga japonica	Pseudotsuga	Pinaceae
Trollius chinensis	Trollius	Ranunculaceae
Solanum americanum	Solanum	Solanaceae
Artemisia giraldii	Artemisia	Asteraceae
Vitex rotundifolia	Vitex	Lamiaceae
Calystegia pubescens	Calystegia	Convolvulaceae
Scutellaria barbata	Scutellaria	Lamiaceae
Conocarpus erectus	Conocarpus	Combretaceae
Morus bombycis	Morus	Moraceae
Xanthium canadense	Xanthium	Asteraceae
Plumbago indica	Plumbago	Plumbaginaceae
Ephedra herba	Ephedra	Ephedraceae
Strychnos henningsii	Strychnos	Loganiaceae
Aconitum tanguticum	Aconitum	Ranunculaceae
Citropsis articulata	Citropsis	Rutaceae
Lycium chinense	Lycium	Solanaceae
Acanthophyllum sordidum	Acanthophyllum	Caryophyllaceae
Carthamus tinctorius	Carthamus	Asteraceae
Vernonia scorpioides	Vernonia	Asteraceae
Saussurea involucrata	Saussurea	Asteraceae
Artemisia scoparia	Artemisia	Asteraceae
Polyalthia stenopetala	Polyalthia	Annonaceae
Roemeria refracta	Roemeria	Papaveraceae
Millettia pinnata	Millettia	Fabaceae
Bougainvillea glabra	Bougainvillea	Nyctaginaceae
Senecio scandens	Senecio	Asteraceae
Saxifraga stolonifera	Saxifraga	Saxifragaceae
Rhododendron dauricum	Rhododendron	Ericaceae
Panax notoginseng	Panax	Araliaceae
Picea glauca	Picea	Pinaceae
Vincetoxicum pycnostelma	Vincetoxicum	Apocynaceae
Maackia floribunda	Maackia	Fabaceae
Vaccinium vitis-idaea	Vaccinium	Ericaceae
Glechoma grandis	Glechoma	Lamiaceae
Panax spinosus	Panax	Araliaceae
Aconitum habaense	Aconitum	Ranunculaceae
Trichilia catigua	Trichilia	Meliaceae
Philadelphus coronarius	Philadelphus	Hydrangeaceae
Pterocarpus macrocarpus	Pterocarpus	Fabaceae
Meliosma wightii	Meliosma	Sabiaceae
Simaba cuneata	Simaba	Simaroubaceae
Thalictrum podocarpum	Thalictrum	Ranunculaceae
Senecio chionophilus	Senecio	Asteraceae
Polygala fruticosa	Polygala	Polygalaceae
Huperzia selago	Huperzia	Lycopodiaceae
Kielmeyera rubriflora	Kielmeyera	Calophyllaceae
Morus alba	Morus	Moraceae
Turbina corymbosa	Turbina	Convolvulaceae
Sorbaria arborea	Sorbaria	Rosaceae
Scandix pecten-veneris	Scandix	Apiaceae
Syzygium levinei	Syzygium	Myrtaceae
Corydalis pallida	Corydalis	Papaveraceae
Albizia procera	Albizia	Fabaceae
Chasmanthera dependens	Chasmanthera	Menispermaceae
Senecio miser	Senecio	Asteraceae
Larix lyallii	Larix	Pinaceae
Crepis czerepanovii	Crepis	Asteraceae
Campanula hypopolia	Campanula	Campanulaceae
Hymenoxys grandiflora	Hymenoxys	Asteraceae
Urginea riparia	Urginea	Hyacinthaceae
Oroxylum indicum	Oroxylum	Bignoniaceae
Pteris pedata	Pteris	Pteridaceae
Othonna tagetes	Othonna	Asteraceae
Agave cocui	Agave	Asparagaceae
Vincetoxicum atratum	Vincetoxicum	Apocynaceae
Diospyros glaucifolia	Diospyros	Ebenaceae
Strophanthus hispidus	Strophanthus	Apocynaceae
Lampranthus sociorum	Lampranthus	Aizoaceae
Perymenium mendezii	Perymenium	Asteraceae
Solanum aethiopicum	Solanum	Solanaceae
Pyrus communis	Pyrus	Rosaceae
Hortonia floribunda	Hortonia	Monimiaceae
Flemingia philippinensis	Flemingia	Fabaceae
Nauclea rhynchophylla	Nauclea	Rubiaceae
Bursera tonkinensis	Bursera	Burseraceae
Achlys triphylla	Achlys	Berberidaceae
Magnolia fraseri	Magnolia	Magnoliaceae
Bulbophyllum protractum	Bulbophyllum	Orchidaceae
Tarchonanthus camphoratus	Tarchonanthus	Asteraceae
Cypripedium calceolus	Cypripedium	Orchidaceae
Tylophora ovata	Tylophora	Apocynaceae
Lactuca laciniata	Lactuca	Asteraceae
Vincetoxicum versicolor	Vincetoxicum	Apocynaceae
Chiloscyphus rivularis	Chiloscyphus	Lophocoleaceae
Rubus occidentalis	Rubus	Rosaceae
Ventilago madraspatana	Ventilago	Rhamnaceae
Artemisia porrecta	Artemisia	Asteraceae

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: NPC475777
Formula: C20H28O5

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CCC(C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@H]2[C@@]1(C)[C@@H](C)CC[C@@H]2O)C
Standard InCHI	InChI=1S/C20H28O5/c1-6-10(2)19(23)25-18-14-11(3)9-24-17(14)16(22)15-13(21)8-7-12(4)20(15,18)5/h9-10,12-13,15,18,21H,6-8H2,1-5H3/t10?,12-,13-,15-,18+,20+/m0/s1
Standard InCHIKey	IAWIPMBPDIXBBM-ORSKTOQHSA-N
Ingredient External Links
Plant-Ingredient Association Reference	PMID: 15387646 Database: NPASS [NPC475777]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Senecio chionophilus	Senecio	Asteraceae

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: 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: 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: 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: 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: 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: 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: 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
NPC118429	C6H13N3O3		175.0956913	-1.7857	1.46	-2.513	6	5	119.43	9	0	12	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
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
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
NPC27988	C5H9NO4	3-aminopentanedioic acid	147.0531578	-1.2103	1.46	-1.449	5	3	100.62	4	0	10	0
NPC285322	C4H7NO4	D-Aspartate	133.04	-1.3518	1.35	-3.707	5	3	100.62	6	0	9	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
NPC475777	C20H28O5		348.19	-0.1415	3.11	2.709	4	1	76.74	10	3	25	0
NPC69374	C10H15NO4	Kainic Acid	213.1	-0.469	2.01	-0.213	5	3	86.63	7	1	15	0
NPC6984	C8H8O2	4-Hydroxyacetophenone	136.05	-0.7142	2.12	1.335	1	1	37.3	3	1	10	0
NPC75310	C20H26O5		346.1780239	1.1541	3.11	2.591	4	1	76.74	9	3	25	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