CMAUP Plant Ingredients

31 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.

6 Ingredients with Available Activity

Unique ingredients have activity data available.

Ingredient Structrual Cards

Ingredient ID: NPC82123
Formula: C39H38O20

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2C=C(O[C@@H]2O[C@H](C[O+]=C(C=Cc4ccc(cc4)O)O)[C@H]([C@@H]([C@H]2O)O)O)C(=C2C=CC(=O)C=C2)O3)[C@@H]([C@H]([C@@H]1OC(=O)CC(=O)O)O)O
Standard InCHI	InChI=1S/C39H38O20/c40-15-26-37(59-30(47)14-28(44)45)33(50)35(52)39(57-26)55-24-12-21(43)11-23-22(24)13-25(36(54-23)18-4-8-20(42)9-5-18)56-38-34(51)32(49)31(48)27(58-38)16-53-29(46)10-3-17-1-6-19(41)7-2-17/h1-13,26-27,31-35,37-40,48-52H,14-16H2,(H3-,41,42,43,44,45,46)/p+1/t26-,27-,31-,32+,33-,34-,35-,37-,38-,39-/m1/s1
Standard InCHIKey	MDEOANVPTRUJEP-QUYWJHRBSA-O
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD110950]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tetracera alnifolia	Tetracera	Dilleniaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Rosa rugosa	Rosa	Rosaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae

Ingredient ID: NPC5947
Formula: C40H40O21

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1cc(ccc1O)C=CC(=[O+]C[C@H]1O[C@@H](OC2=Cc3c(cc(cc3OC2=C2C=CC(=O)C=C2)O)O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O)O
Standard InCHI	InChI=1S/C40H40O21/c1-54-25-10-17(2-8-22(25)43)3-9-30(46)55-15-27-32(48)35(51)37(53)40(61-27)59-26-13-21-23(57-38(26)18-4-6-19(41)7-5-18)11-20(42)12-24(21)58-39-36(52)34(50)33(49)28(60-39)16-56-31(47)14-29(44)45/h2-13,27-28,32-37,39-40,48-53H,14-16H2,1H3,(H3-,41,42,43,44,45,46)/p+1/t27-,28-,32-,33-,34+,35+,36-,37-,39-,40-/m1/s1
Standard InCHIKey	ZWBURTPIYLFHIK-ZGFFMVSDSA-O
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD95935]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tetracera alnifolia	Tetracera	Dilleniaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Rosa rugosa	Rosa	Rosaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae

Ingredient ID: NPC58616
Formula: C9H10O2

Common Name	E1501
IUPAC Name	benzyl acetate
Canonical SMILES	CC(=O)OCc1ccccc1
Standard InCHI	InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
Standard InCHIKey	QUKGYYKBILRGFE-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 8785 ChEMBL ID: CHEMBL1233714
Plant-Ingredient Association Reference	Database: UNPD [UNPD118698] Database: NPASS [NPC58616]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Piper attenuatum	Piper	Piperaceae
Tetracera alnifolia	Tetracera	Dilleniaceae
Artemisia jacutica	Artemisia	Asteraceae
Aconitum fischeri	Aconitum	Ranunculaceae
Bersama abyssinica	Bersama	Melianthaceae
Rosa rugosa	Rosa	Rosaceae
Vitis vinifera	Vitis	Vitaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Aconitum sajanense	Aconitum	Ranunculaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Strychnos triplinervia	Strychnos	Loganiaceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Styrax	Styrax	Styracaceae
Chimonanthus fragrans	Chimonanthus	Calycanthaceae
Bombax ceiba	Bombax	Malvaceae
Erysimum odoratum	Erysimum	Brassicaceae
Heterotheca inuloides	Heterotheca	Asteraceae
Delphinium andersoni	Delphinium	Ranunculaceae
Vaccinium vitis-idaea	Vaccinium	Ericaceae
Vismia jefensis	Vismia	Hypericaceae
Angelica tarokoensis	Angelica	Apiaceae
Swertia delavayi	Swertia	Gentianaceae
Epimedium davidii	Epimedium	Berberidaceae
Globba malaccensis	Globba	Zingiberaceae
Diphasia angolensis	Diphasia	Rutaceae
Knightia excelsa	Knightia	Proteaceae
Isodon japonicus	Isodon	Lamiaceae
Solanum acaule	Solanum	Solanaceae
Frullania tamarisci	Frullania	Frullaniaceae
Alangium premnifolium	Alangium	Cornaceae
Saussurea carthamoides	Saussurea	Asteraceae
Galenia africana	Galenia	Aizoaceae
Micromeria pineolens	Micromeria	Lamiaceae
Gnidia lamprantha	Gnidia	Thymelaeaceae
Artemisia annua	Artemisia	Asteraceae
Ilex amara	Ilex	Aquifoliaceae
Leonurus glaucescens	Leonurus	Lamiaceae
Salacia madagascariensis	Salacia	Celastraceae
Maba buxifolia	Maba	Ebenaceae
Senna alexandrina	Senna	Fabaceae
Prunus mume	Prunus	Rosaceae
Quercus sessiliflora	Quercus	Fagaceae
Eugenia caryopyhllata	Eugenia	Myrtaceae
Syzygium aromaticum	Syzygium	Myrtaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae
Cassia jahnii	Cassia	Fabaceae
Lepidium draba	Lepidium	Brassicaceae
Ziziphus jujuba	Ziziphus	Rhamnaceae
Avrainvillea rawsonii	Avrainvillea	Udoteaceae
Damnacanthus major	Damnacanthus	Rubiaceae
Stauntonia hexaphylla	Stauntonia	Lardizabalaceae
Rubus sanctus	Rubus	Rosaceae

Ingredient ID: NPC56506
Formula: C39H38O22

Common Name	n.a.
IUPAC Name	3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxan-2-yl]methoxy]propanoic acid
Canonical SMILES	O=C(C=Cc1ccc(cc1)O)OC[C@H]1O[C@@H](Oc2cc3c(cc(cc3[o+]c2c2cc(O)c(c(c2)O)O)O)O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C39H38O22/c40-17-4-1-15(2-5-17)3-6-28(46)55-13-25-31(49)34(52)36(54)39(61-25)59-24-11-19-22(57-37(24)16-7-20(42)30(48)21(43)8-16)9-18(41)10-23(19)58-38-35(53)33(51)32(50)26(60-38)14-56-29(47)12-27(44)45/h1-11,25-26,31-36,38-39,49-54H,12-14H2,(H5-,40,41,42,43,44,45,46,48)/p+1/t25-,26-,31-,32-,33+,34+,35-,36-,38-,39-/m1/s1
Standard InCHIKey	LXITVYYZHYMDFB-AWJFVBHYSA-O
Ingredient External Links	PubChem CID: 5281258
Plant-Ingredient Association Reference	Database: UNPD [UNPD115115]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tetracera alnifolia	Tetracera	Dilleniaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Rosa rugosa	Rosa	Rosaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae

Ingredient ID: NPC56253
Formula: C21H23O10

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@H]1O[C@@H](OC2=Cc3c(O)cc(cc3O[C+]2c2ccc(cc2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C21H23O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-28H,8,20H2/q+1/t16-,17-,18+,19-,21-/m1/s1
Standard InCHIKey	JUNQVPKWBLFCKN-GQUPQBGVSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD26512]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tetracera alnifolia	Tetracera	Dilleniaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Rosa rugosa	Rosa	Rosaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae

Ingredient ID: NPC38408
Formula: C27H30O17

Common Name	n.a.
IUPAC Name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxane-3,4,5-triol
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c([o+]3)c2cc(O)c(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
Standard InCHIKey	XCTGXGVGJYACEI-LCENJUANSA-O
Ingredient External Links	PubChem CID: 10100906
Plant-Ingredient Association Reference	Database: UNPD [UNPD81078]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tetracera alnifolia	Tetracera	Dilleniaceae
Conyza canadensis	Conyza	Asteraceae
Coreopsis fasciculata	Coreopsis	Asteraceae
Balanophora harlandii	Balanophora	Balanophoraceae
Selinum carvifolium	Selinum	Apiaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Rosa rugosa	Rosa	Rosaceae
Thuja plicata	Thuja	Cupressaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Polemonium caeruleum	Polemonium	Polemoniaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Crepis foetida	Crepis	Asteraceae
Cirsium japonicum	Cirsium	Asteraceae
Dorstenia lindeniana	Dorstenia	Moraceae
Dioscoreophyllum cumminsii	Dioscoreophyllum	Menispermaceae
Phytolacca acinosa	Phytolacca	Phytolaccaceae
Garcinia hombroniana	Garcinia	Clusiaceae
Cardiospermum halicacabum	Cardiospermum	Sapindaceae
Aglaia elaeagnoidea	Aglaia	Meliaceae
Punica granatum	Punica	Lythraceae
Urtica triangularis	Urtica	Urticaceae
Strychnos ledermannii	Strychnos	Loganiaceae
Pouzolzia occidentalis	Pouzolzia	Urticaceae
Centaurea nigrescens	Centaurea	Asteraceae
Piper arboreum	Piper	Piperaceae
Parastrephia lepidophylla	Parastrephia	Asteraceae
Phlogacanthus thyrsiflorus	Phlogacanthus	Acanthaceae
Euphorbia segetalis	Euphorbia	Euphorbiaceae
Sidastrum acuminatum	Sidastrum	Malvaceae
Syncolostemon parviflorus	Syncolostemon	Lamiaceae
Aristolochia elegans	Aristolochia	Aristolochiaceae
Penstemon secundiflorus	Penstemon	Plantaginaceae
Cuphea carthagenensis	Cuphea	Lythraceae
Ozoroa insignis	Ozoroa	Anacardiaceae
Ruta microcarpa	Ruta	Rutaceae
Crinum defixum	Crinum	Amaryllidaceae
Zanthoxylum monophyllum	Zanthoxylum	Rutaceae
Euphorbia biglandulosa	Euphorbia	Euphorbiaceae
Astragalus gummifer	Astragalus	Fabaceae
Triglochin maritima	Triglochin	Juncaginaceae
Lupinus cosentinii	Lupinus	Fabaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae
Viburnum davidii	Viburnum	Adoxaceae
Agathosma scaberula	Agathosma	Rutaceae
Phedimus kamtschaticus	Phedimus	Crassulaceae
Cichorium intybus	Cichorium	Asteraceae

Ingredient ID: NPC32877
Formula: C39H38O20

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC(=[O+]C[C@H]1O[C@@H](OC2=Cc3c(cc(cc3OC2=C2C=CC(=O)C=C2)O)O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O)C=Cc1ccc(cc1)O
Standard InCHI	InChI=1S/C39H38O20/c40-19-6-1-17(2-7-19)3-10-29(45)53-15-26-31(47)34(50)36(52)39(59-26)57-25-13-22-23(55-37(25)18-4-8-20(41)9-5-18)11-21(42)12-24(22)56-38-35(51)33(49)32(48)27(58-38)16-54-30(46)14-28(43)44/h1-13,26-27,31-36,38-39,47-52H,14-16H2,(H3-,40,41,42,43,44,45)/p+1/t26-,27-,31-,32-,33+,34+,35-,36-,38-,39-/m1/s1
Standard InCHIKey	SVWGZAOFZPHNJL-KMKFZPLVSA-O
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD187442]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tetracera alnifolia	Tetracera	Dilleniaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Rosa rugosa	Rosa	Rosaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae

Ingredient ID: NPC308501
Formula: C36H36O17

Common Name	n.a.
IUPAC Name	[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2C=C(O[C@@H]2O[C@H](C[O+]=C(C=Cc4ccc(cc4)O)O)[C@H]([C@@H]([C@H]2O)O)O)C(=C2C=CC(=O)C=C2)O3)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C36H36O17/c37-14-25-28(42)30(44)32(46)35(52-25)50-23-12-20(40)11-22-21(23)13-24(34(49-22)17-4-8-19(39)9-5-17)51-36-33(47)31(45)29(43)26(53-36)15-48-27(41)10-3-16-1-6-18(38)7-2-16/h1-13,25-26,28-33,35-37,42-47H,14-15H2,(H2-,38,39,40,41)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1
Standard InCHIKey	HFGYRTHYZMEEPZ-AQAMAIGXSA-O
Ingredient External Links	PubChem CID: 20054973
Plant-Ingredient Association Reference	Database: UNPD [UNPD100121]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tetracera alnifolia	Tetracera	Dilleniaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Rosa rugosa	Rosa	Rosaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae

Ingredient ID: NPC301898
Formula: C37H38O18

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2C=C(O[C@@H]2O[C@H](C[O+]=C(C=Cc4ccc(c(c4)OC)O)O)[C@H]([C@@H]([C@H]2O)O)O)C(=C2C=CC(=O)C=C2)O3)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C37H38O18/c1-49-24-10-16(2-8-21(24)41)3-9-28(42)50-15-27-30(44)32(46)34(48)37(55-27)53-25-13-20-22(51-35(25)17-4-6-18(39)7-5-17)11-19(40)12-23(20)52-36-33(47)31(45)29(43)26(14-38)54-36/h2-13,26-27,29-34,36-38,43-48H,14-15H2,1H3,(H2-,39,40,41,42)/p+1/t26-,27-,29-,30-,31+,32+,33-,34-,36-,37-/m1/s1
Standard InCHIKey	PXLHGVJUPQEPEJ-OTOOEMNYSA-O
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD175170]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tetracera alnifolia	Tetracera	Dilleniaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Rosa rugosa	Rosa	Rosaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae

Ingredient ID: NPC298120
Formula: C36H36O19

Common Name	n.a.
IUPAC Name	[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](COC(=O)C=Cc4ccc(cc4)O)[C@H]([C@@H]([C@H]2O)O)O)c([o+]3)c2cc(O)c(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C36H36O19/c37-12-24-28(44)30(46)32(48)35(54-24)52-22-10-17(39)9-21-18(22)11-23(34(51-21)15-7-19(40)27(43)20(41)8-15)53-36-33(49)31(47)29(45)25(55-36)13-50-26(42)6-3-14-1-4-16(38)5-2-14/h1-11,24-25,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43)/p+1/t24-,25-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1
Standard InCHIKey	HXWHJZIJSNBCJX-QHVGLBQHSA-O
Ingredient External Links	PubChem CID: 101633884
Plant-Ingredient Association Reference	Database: UNPD [UNPD194652]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tetracera alnifolia	Tetracera	Dilleniaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Rosa rugosa	Rosa	Rosaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae

Ingredient ID: NPC295990
Formula: C39H38O21

Common Name	n.a.
IUPAC Name	3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxychromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
Canonical SMILES	O=C(C=Cc1ccc(cc1)O)OC[C@H]1O[C@@H](Oc2cc3c(cc(cc3[o+]c2c2ccc(c(c2)O)O)O)O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C39H38O21/c40-18-5-1-16(2-6-18)3-8-29(46)54-14-26-31(48)34(51)36(53)39(60-26)58-25-12-20-23(56-37(25)17-4-7-21(42)22(43)9-17)10-19(41)11-24(20)57-38-35(52)33(50)32(49)27(59-38)15-55-30(47)13-28(44)45/h1-12,26-27,31-36,38-39,48-53H,13-15H2,(H4-,40,41,42,43,44,45,46)/p+1/t26-,27-,31-,32-,33+,34+,35-,36-,38-,39-/m1/s1
Standard InCHIKey	HCZDGTUAMVKZNE-KMKFZPLVSA-O
Ingredient External Links	PubChem CID: 101586992
Plant-Ingredient Association Reference	Database: UNPD [UNPD76173]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tetracera alnifolia	Tetracera	Dilleniaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Rumex obtusifolius	Rumex	Polygonaceae
Rosa rugosa	Rosa	Rosaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae
Perilla frutescens	Perilla	Lamiaceae

Ingredient ID: NPC292792
Formula: C11H14O2

Common Name	Methyleugenol
IUPAC Name	1,2-dimethoxy-4-prop-2-enylbenzene
Canonical SMILES	C=CCc1ccc(c(c1)OC)OC
Standard InCHI	InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3
Standard InCHIKey	ZYEMGPIYFIJGTP-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 7127 ChEMBL ID: CHEMBL108861
Plant-Ingredient Association Reference	Database: UNPD [UNPD30490] Database: NPASS [NPC292792]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Caesalpinia bonducella	Caesalpinia	Fabaceae
Artemisia capillaris	Artemisia	Asteraceae
Akebia trifoliata	Akebia	Lardizabalaceae
Arnebia euchroma	Arnebia	Boraginaceae
Angelica gigas	Angelica	Apiaceae
Tetracera alnifolia	Tetracera	Dilleniaceae
Lithospermum erythrorhizon	Lithospermum	Boraginaceae
Illicium difengpi	Illicium	Schisandraceae
Asarum heterotropoides	Asarum	Aristolochiaceae
Asarum heterotropoides f. schm. var. mandshuricum (maxim.) kitag.	Asarum	Aristolochiaceae
Cornus officinalis	Cornus	Cornaceae
Sinapis semen	Sinapis	Brassicaceae
Magnolia liliiflora	Magnolia	Magnoliaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Garcinia oligantha	Garcinia	Clusiaceae
Rosa rugosa	Rosa	Rosaceae
Actaea dahurica	Actaea	Ranunculaceae
Angelica sinensis	Angelica	Apiaceae
Actaea cimicifuga	Actaea	Ranunculaceae
Iris spuria	Iris	Iridaceae
Scutellaria barbata	Scutellaria	Lamiaceae
Eucalyptus hybrid	Eucalyptus	Myrtaceae
Daucus carota	Daucus	Apiaceae
Aconitum episcopale	Aconitum	Ranunculaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Mosla chinensis	Mosla	Lamiaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Ligusticum sinense	Ligusticum	Apiaceae
Espeletia grandiflora	Espeletia	Asteraceae
Pinellia ternata	Pinellia	Araceae
Sophora flavescens	Sophora	Fabaceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Michelia alba	Michelia	Magnoliaceae
Akebia quinata	Akebia	Lardizabalaceae
Arnebia guttata	Arnebia	Boraginaceae
Ocimum basilicum	Ocimum	Lamiaceae
Zingiber officinale	Zingiber	Zingiberaceae
Elsholtzia ciliata	Elsholtzia	Lamiaceae
Polygala sibirica	Polygala	Polygalaceae
Cnidium officinale	Cnidium	Apiaceae
Coptis omeiensis	Coptis	Ranunculaceae
Elsholtzia splendens	Elsholtzia	Lamiaceae
Ocimum gratissimum	Ocimum	Lamiaceae
Acorus calamus	Acorus	Acoraceae
Chaenomeles sinensis	Chaenomeles	Rosaceae
Agastache rugosa	Agastache	Lamiaceae
Piper betle	Piper	Piperaceae
Polygala tenuifolia	Polygala	Polygalaceae
Actaea simplex	Actaea	Ranunculaceae
Artemisia argyi	Artemisia	Asteraceae
Phyllanthus emblica	Phyllanthus	Phyllanthaceae
Artemisia coerulescens	Artemisia	Asteraceae
Angelica acutiloba	Angelica	Apiaceae
Magnolia liliflora	Magnolia	Magnoliaceae
Ligusticum chuanxiong	Ligusticum	Apiaceae
Artemisia capillaries	Artemisia	Asteraceae
Citrus limon	Citrus	Rutaceae
Ardisia arborescens	Ardisia	Primulaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae
Isatis tinctoria	Isatis	Brassicaceae
Alpinia galanga	Alpinia	Zingiberaceae
Myristica fragrans	Myristica	Myristicaceae
Zanthoxylum bungeanum	Zanthoxylum	Rutaceae
Campsis flos	Campsis	Bignoniaceae
Acorus gramineus	Acorus	Acoraceae
Asarum sieboldii	Asarum	Aristolochiaceae
Clematis chinensis	Clematis	Ranunculaceae
Rubus trifidus	Rubus	Rosaceae
Elettaria cardamomum	Elettaria	Zingiberaceae
Cinnamomum aromaticum	Cinnamomum	Lauraceae
Magnolia officinalis rehd et wils	Magnolia	Magnoliaceae
Acorus tatarinowii	Acorus	Acoraceae
Glehnia littoralis	Glehnia	Apiaceae
Rosa multiflora	Rosa	Rosaceae

Ingredient ID: NPC268868
Formula: C39H38O21

Common Name	n.a.
IUPAC Name	3-[[(2R,3S,4S,5R,6S)-6-[3-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-2-(4-hydroxyphenyl)chromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
Canonical SMILES	OC(=[O+]C[C@H]1O[C@@H](OC2=Cc3c(cc(cc3OC2=C2C=CC(=O)C=C2)O)O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O)C=Cc1ccc(c(c1)O)O
Standard InCHI	InChI=1S/C39H38O21/c40-18-5-3-17(4-6-18)37-25(58-39-36(53)34(51)31(48)26(60-39)14-54-29(46)8-2-16-1-7-21(42)22(43)9-16)12-20-23(56-37)10-19(41)11-24(20)57-38-35(52)33(50)32(49)27(59-38)15-55-30(47)13-28(44)45/h1-12,26-27,31-36,38-39,48-53H,13-15H2,(H4-,40,41,42,43,44,45,46)/p+1/t26-,27-,31-,32-,33+,34+,35-,36-,38-,39-/m1/s1
Standard InCHIKey	HWGACSBPJIKSNP-KMKFZPLVSA-O
Ingredient External Links	PubChem CID: 5282162
Plant-Ingredient Association Reference	Database: UNPD [UNPD166071]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tetracera alnifolia	Tetracera	Dilleniaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Rosa rugosa	Rosa	Rosaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae

Ingredient ID: NPC265184
Formula: C40H40O22

Common Name	n.a.
IUPAC Name	3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxychromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
Canonical SMILES	COc1cc(cc(c1O)O)c1[o+]c2cc(O)cc(c2cc1O[C@@H]1O[C@H](COC(=O)C=Cc2ccc(cc2)O)[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@H](COC(=O)CC(=O)O)[C@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C40H40O22/c1-55-24-9-17(8-21(43)31(24)48)38-25(60-40-37(54)35(52)32(49)26(62-40)14-56-29(46)7-4-16-2-5-18(41)6-3-16)12-20-22(58-38)10-19(42)11-23(20)59-39-36(53)34(51)33(50)27(61-39)15-57-30(47)13-28(44)45/h2-12,26-27,32-37,39-40,49-54H,13-15H2,1H3,(H4-,41,42,43,44,45,46,48)/p+1/t26-,27-,32-,33-,34+,35+,36-,37-,39-,40-/m1/s1
Standard InCHIKey	ZCJAIHSCFUFLJV-KZGNYCDPSA-O
Ingredient External Links	PubChem CID: 100921412
Plant-Ingredient Association Reference	Database: UNPD [UNPD31512]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tetracera alnifolia	Tetracera	Dilleniaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Rosa rugosa	Rosa	Rosaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae

Ingredient ID: NPC257124
Formula: C10H12O2

Common Name	Eugenol
IUPAC Name	2-methoxy-4-prop-2-enylphenol
Canonical SMILES	C=CCc1ccc(c(c1)OC)O
Standard InCHI	InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
Standard InCHIKey	RRAFCDWBNXTKKO-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 3314 ChEMBL ID: CHEMBL42710
Plant-Ingredient Association Reference	Database: UNPD [UNPD45145] Database: NPASS [NPC257124]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Piper attenuatum	Piper	Piperaceae
Artemisia montana	Artemisia	Asteraceae
Artemisia hanseniana	Artemisia	Asteraceae
Caesalpinia bonducella	Caesalpinia	Fabaceae
Cistanche deserticola	Cistanche	Orobanchaceae
Asteriscus aquaticus	Asteriscus	Asteraceae
Cinnamomum subavenium	Cinnamomum	Lauraceae
Artemisia capillaris	Artemisia	Asteraceae
Piper cubeba	Piper	Piperaceae
Akebia trifoliata	Akebia	Lardizabalaceae
Pseudowintera colorata	Pseudowintera	Winteraceae
Arnebia euchroma	Arnebia	Boraginaceae
Kopsia grandifolia	Kopsia	Apocynaceae
Strophanthus sarmentosus var. senegambiae	Strophanthus	Apocynaceae
Phebalium dentatum	Phebalium	Rutaceae
Ecballium elaterium	Ecballium	Cucurbitaceae
Tetracera alnifolia	Tetracera	Dilleniaceae
Lithospermum erythrorhizon	Lithospermum	Boraginaceae
Capparis ovata	Capparis	Capparaceae
Croton montevidensis	Croton	Euphorbiaceae
Illicium difengpi	Illicium	Schisandraceae
Ledebouria socialis	Ledebouria	Hyacinthaceae
Murraya exotica	Murraya	Rutaceae
Datisca glomerata	Datisca	Datiscaceae
Lycopus europaeus	Lycopus	Lamiaceae
Artemisia jacutica	Artemisia	Asteraceae
Quercus imbricaria	Quercus	Fagaceae
Dipterocarpus dyeri	Dipterocarpus	Dipterocarpaceae
Dioscorea olfersiana	Dioscorea	Dioscoreaceae
Cornus officinalis	Cornus	Cornaceae
Cassine papillosa	Cassine	Celastraceae
Siphonostegia chinensis	Siphonostegia	Orobanchaceae
Thymus quinquecostatus	Thymus	Lamiaceae
Ipomoea cairica	Ipomoea	Convolvulaceae
Rhodomyrtus tomentosa	Rhodomyrtus	Myrtaceae
Lophophora williamsii	Lophophora	Cactaceae
Magnolia liliiflora	Magnolia	Magnoliaceae
Coptis japonica	Coptis	Ranunculaceae
Ceanothus velutinus	Ceanothus	Rhamnaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Mentha canadensis	Mentha	Lamiaceae
Humulus lupulus	Humulus	Cannabaceae
Garcinia scortechinii	Garcinia	Clusiaceae
Uncaria macrophylla	Uncaria	Rubiaceae
Apollonias barbujana	Apollonias	Lauraceae
Chlorophytum borivilianum	Chlorophytum	Asparagaceae
Bersama abyssinica	Bersama	Melianthaceae
Vitex negundo	Vitex	Lamiaceae
Ophiopogon intermedius	Ophiopogon	Asparagaceae
Prunus persica	Prunus	Rosaceae
Rumex obtusifolius	Rumex	Polygonaceae
Lonicera japonica	Lonicera	Caprifoliaceae
Rosa rugosa	Rosa	Rosaceae
Artemisia afra	Artemisia	Asteraceae
Actaea dahurica	Actaea	Ranunculaceae
Zea mays	Zea	Poaceae
Actaea cimicifuga	Actaea	Ranunculaceae
Scutellaria barbata	Scutellaria	Lamiaceae
Daucus carota	Daucus	Apiaceae
Isodon lophanthoides	Isodon	Lamiaceae
Elsholtzia bodinieri	Elsholtzia	Lamiaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Aconitum sajanense	Aconitum	Ranunculaceae
Fragaria vesca	Fragaria	Rosaceae
Mosla chinensis	Mosla	Lamiaceae
Rosa chinensis	Rosa	Rosaceae
Solanum torvum	Solanum	Solanaceae
Diospyros kaki	Diospyros	Ebenaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Artemisia scoparia	Artemisia	Asteraceae
Lagascea mollis	Lagascea	Asteraceae
Ligusticum sinense	Ligusticum	Apiaceae
Espeletia grandiflora	Espeletia	Asteraceae
Pinellia ternata	Pinellia	Araceae
Podocarpus elongata	Podocarpus	Podocarpaceae
Strychnos triplinervia	Strychnos	Loganiaceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Thymus vulgaris	Thymus	Lamiaceae
Akebia quinata	Akebia	Lardizabalaceae
Palicourea alpina	Palicourea	Rubiaceae
Lupinus formosus	Lupinus	Fabaceae
Wunderlichia mirabilis	Wunderlichia	Asteraceae
Posoqueria latifolia	Posoqueria	Rubiaceae
Dicliptera riparia	Dicliptera	Acanthaceae
Oxandra xylopioides	Oxandra	Annonaceae
Phyllanthus oligospermus	Phyllanthus	Phyllanthaceae
Arnebia guttata	Arnebia	Boraginaceae
Ocimum basilicum	Ocimum	Lamiaceae
Lasianthus fordii	Lasianthus	Rubiaceae
Ilex kaushue	Ilex	Aquifoliaceae
Zingiber officinale	Zingiber	Zingiberaceae
Dalbergia frutescens	Dalbergia	Fabaceae
Colchicum macedonicum	Colchicum	Colchicaceae
Euphorbia caducifolia	Euphorbia	Euphorbiaceae
Boronia muelleri	Boronia	Rutaceae
Coprosma acerosa	Coprosma	Rubiaceae
Astilbe koreana	Astilbe	Saxifragaceae
Scrophularia smithii	Scrophularia	Scrophulariaceae
Artemisia dracunculus	Artemisia	Asteraceae
Eupatorium fortunei	Eupatorium	Asteraceae
Elsholtzia ciliata	Elsholtzia	Lamiaceae
Anethum graveolens	Anethum	Apiaceae
Hypericum papuanum	Hypericum	Hypericaceae
Zilla spinosa	Zilla	Brassicaceae
Cnidium officinale	Cnidium	Apiaceae
Kaunia arbuscularis	Kaunia	Asteraceae
Trifolium pratense	Trifolium	Fabaceae
Sambucus ebulus	Sambucus	Adoxaceae
Ficus carica	Ficus	Moraceae
Inula thapsoides	Inula	Asteraceae
Tylophora flava	Tylophora	Apocynaceae
Limeum pterocarpum	Limeum	Limeaceae
Coptis omeiensis	Coptis	Ranunculaceae
Trifolium alexandrium	Trifolium	Fabaceae
Coptis deltoidea	Coptis	Ranunculaceae
Cassia carnaval	Cassia	Fabaceae
Salix sieboldiana	Salix	Salicaceae
Bistorta officinalis	Bistorta	Polygonaceae
Mentha arvensis	Mentha	Lamiaceae
Camellia saluenensis	Camellia	Theaceae
Elsholtzia splendens	Elsholtzia	Lamiaceae
Alpinia officinarum	Alpinia	Zingiberaceae
Paeonia veitchii	Paeonia	Paeoniaceae
Dillenia papuana	Dillenia	Dilleniaceae
Polyalthia nemoralis	Polyalthia	Annonaceae
Achillea millefolium	Achillea	Asteraceae
Nepeta cataria	Nepeta	Lamiaceae
Artemisia princeps	Artemisia	Asteraceae
Ocimum gratissimum	Ocimum	Lamiaceae
Acorus calamus	Acorus	Acoraceae
Solanum andigena	Solanum	Solanaceae
Chaenomeles sinensis	Chaenomeles	Rosaceae
Agastache rugosa	Agastache	Lamiaceae
Bistorta manshuriensis	Bistorta	Polygonaceae
Piper betle	Piper	Piperaceae
Murraya paniculata	Murraya	Rutaceae
Actaea simplex	Actaea	Ranunculaceae
Achillea moschata	Achillea	Asteraceae
Jacaranda caucana	Jacaranda	Bignoniaceae
Senna alexandrina	Senna	Fabaceae
Morus alba	Morus	Moraceae
Artemisia argyi	Artemisia	Asteraceae
Foeniculum vulgare	Foeniculum	Apiaceae
Bowdichia nitida	Bowdichia	Fabaceae
Phyllanthus emblica	Phyllanthus	Phyllanthaceae
Eschweilera coriacea	Eschweilera	Lecythidaceae
Prunus mume	Prunus	Rosaceae
Piper nigrum	Piper	Piperaceae
Artemisia coerulescens	Artemisia	Asteraceae
Coptis teeta	Coptis	Ranunculaceae
Litsea cubeba	Litsea	Lauraceae
Panax ginseng	Panax	Araliaceae
Cranfillia vulcanica	Cranfillia	Blechnaceae
Bupleurum chinense	Bupleurum	Apiaceae
Pogostemon cablin	Pogostemon	Lamiaceae
Laurus nobilis	Laurus	Lauraceae
Andrographis herba	Andrographis	Acanthaceae
Magnolia liliflora	Magnolia	Magnoliaceae
Eugenia caryopyhllata	Eugenia	Myrtaceae
Artemisia capillaries	Artemisia	Asteraceae
Psidium guajava	Psidium	Myrtaceae
Alstonia undulifolia	Alstonia	Apocynaceae
Aconitum leucostomum	Aconitum	Ranunculaceae
Amomum neoaurantiacum	Amomum	Zingiberaceae
Scrophularia koelzii	Scrophularia	Scrophulariaceae
Eucalyptus cladocalyx	Eucalyptus	Myrtaceae
Syzygium aromaticum	Syzygium	Myrtaceae
Aquilegia ecalcarata	Aquilegia	Ranunculaceae
Betula platyphylla	Betula	Betulaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae
Polygonum flaccidum	Polygonum	Polygonaceae
Cassia jahnii	Cassia	Fabaceae
Isatis tinctoria	Isatis	Brassicaceae
Persea mexicana	Persea	Lauraceae
Tanacetum santolinoides	Tanacetum	Asteraceae
Persicaria thunbergii	Persicaria	Polygonaceae
Scrophularia ningpoensis	Scrophularia	Scrophulariaceae
Traversia baccharoides	Traversia	Asteraceae
Hubertia tomentosa	Hubertia	Asteraceae
Alpinia galanga	Alpinia	Zingiberaceae
Myristica fragrans	Myristica	Myristicaceae
Zanthoxylum bungeanum	Zanthoxylum	Rutaceae
Ligustrum obtusifolium	Ligustrum	Oleaceae
Campsis flos	Campsis	Bignoniaceae
Coptis chinensis	Coptis	Ranunculaceae
Ulva pertusa	Ulva	Ulvaceae
Helichrysum auriceps	Helichrysum	Asteraceae
Ziziphus jujuba	Ziziphus	Rhamnaceae
Asarum sieboldii	Asarum	Aristolochiaceae
Scrophularia buergeriana	Scrophularia	Scrophulariaceae
Salvadora persica	Salvadora	Salvadoraceae
Artemisia klotzchiana	Artemisia	Asteraceae
Cinnamomum camphora	Cinnamomum	Lauraceae
Avrainvillea rawsonii	Avrainvillea	Udoteaceae
Salvia xalapensis	Salvia	Lamiaceae
Gardenia tubifera	Gardenia	Rubiaceae
Toddalia asiatica	Toddalia	Rutaceae
Panax innovans	Panax	Araliaceae
Cannabis sativa	Cannabis	Cannabaceae
Fagus fusca	Fagus	Fagaceae
Damnacanthus major	Damnacanthus	Rubiaceae
Elettaria cardamomum	Elettaria	Zingiberaceae
Spiracantha cornifolia	Spiracantha	Asteraceae
Commiphora myrrha	Commiphora	Burseraceae
Tylophora tanakae	Tylophora	Apocynaceae
Blumea mollis	Blumea	Asteraceae
Cinnamomum aromaticum	Cinnamomum	Lauraceae
Porophyllum ruderale	Porophyllum	Asteraceae
Magnolia officinalis rehd et wils	Magnolia	Magnoliaceae
Myristica cagayanensis	Myristica	Myristicaceae
Ficus elastica	Ficus	Moraceae
Stauntonia hexaphylla	Stauntonia	Lardizabalaceae
Perilla frutescens	Perilla	Lamiaceae
Acorus tatarinowii	Acorus	Acoraceae
Epipactis palustris	Epipactis	Orchidaceae
Rubus sanctus	Rubus	Rosaceae
Charpentiera obovata	Charpentiera	Amaranthaceae
Lotus ucrainicus	Lotus	Fabaceae
Peltodon longipes	Peltodon	Lamiaceae

Ingredient ID: NPC248296
Formula: C36H36O18

Common Name	n.a.
IUPAC Name	[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2C=C(O[C@@H]2O[C@H](C[O+]=C(C=Cc4ccc(c(c4)O)O)O)[C@H]([C@@H]([C@H]2O)O)O)C(=C2C=CC(=O)C=C2)O3)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)35(53-25)51-23-11-18(39)10-22-19(23)12-24(34(50-22)16-3-5-17(38)6-4-16)52-36-33(48)31(46)29(44)26(54-36)14-49-27(42)8-2-15-1-7-20(40)21(41)9-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1
Standard InCHIKey	MLLMLJXCGLXOIJ-AQAMAIGXSA-O
Ingredient External Links	PubChem CID: 5282161
Plant-Ingredient Association Reference	Database: UNPD [UNPD33367]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tetracera alnifolia	Tetracera	Dilleniaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Rosa rugosa	Rosa	Rosaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae

Ingredient ID: NPC239931
Formula: C9H10O

Common Name	n.a.
IUPAC Name	(E)-3-phenylprop-2-en-1-ol
Canonical SMILES	OC/C=C/c1ccccc1
Standard InCHI	InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+
Standard InCHIKey	OOCCDEMITAIZTP-QPJJXVBHSA-N
Ingredient External Links	PubChem CID: 5315892
Plant-Ingredient Association Reference	Database: UNPD [UNPD28633] Database: NPASS [NPC239931]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Liquidambar orientalis	Liquidambar	Altingiaceae
Artemisia montana	Artemisia	Asteraceae
Styrax benzoin	Styrax	Styracaceae
Tetracera alnifolia	Tetracera	Dilleniaceae
Styrax tonkinensis	Styrax	Styracaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Rosa rugosa	Rosa	Rosaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Styrax	Styrax	Styracaceae
Artemisia princeps	Artemisia	Asteraceae
Artemisia argyi	Artemisia	Asteraceae
Cinnamomum cassia	Cinnamomum	Lauraceae
Apocynum androsaemifolium	Apocynum	Apocynaceae
Stellera chamaejasme	Stellera	Thymelaeaceae
Cinnamomum aromaticum	Cinnamomum	Lauraceae

Ingredient ID: NPC23837
Formula: C8H10O2

Common Name	1,4-Dimethoxybenzene
IUPAC Name	1,4-dimethoxybenzene
Canonical SMILES	COc1ccc(cc1)OC
Standard InCHI	InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3
Standard InCHIKey	OHBQPCCCRFSCAX-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 9016 ChEMBL ID: CHEMBL1668604
Plant-Ingredient Association Reference	Database: UNPD [UNPD170938] Database: NPASS [NPC23837]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tetracera alnifolia	Tetracera	Dilleniaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Rosa rugosa	Rosa	Rosaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Foeniculum vulgare	Foeniculum	Apiaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae

Ingredient ID: NPC235059
Formula: C9H8O

Common Name	Cinnamaldehyde
IUPAC Name	(E)-3-phenylprop-2-enal
Canonical SMILES	O=C/C=C/c1ccccc1
Standard InCHI	InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
Standard InCHIKey	KJPRLNWUNMBNBZ-QPJJXVBHSA-N
Ingredient External Links	PubChem CID: 637511 ChEMBL ID: CHEMBL293492
Plant-Ingredient Association Reference	Database: UNPD [UNPD152606] Database: NPASS [NPC235059]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Liquidambar orientalis	Liquidambar	Altingiaceae
Akebia trifoliata	Akebia	Lardizabalaceae
Styrax benzoin	Styrax	Styracaceae
Arnebia euchroma	Arnebia	Boraginaceae
Tetracera alnifolia	Tetracera	Dilleniaceae
Lithospermum erythrorhizon	Lithospermum	Boraginaceae
Lophophora williamsii	Lophophora	Cactaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Ophiopogon intermedius	Ophiopogon	Asparagaceae
Rosa rugosa	Rosa	Rosaceae
Actaea dahurica	Actaea	Ranunculaceae
Actaea cimicifuga	Actaea	Ranunculaceae
Daucus carota	Daucus	Apiaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Ephedra herba	Ephedra	Ephedraceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Pinellia ternata	Pinellia	Araceae
Podocarpus elongata	Podocarpus	Podocarpaceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Akebia quinata	Akebia	Lardizabalaceae
Styrax	Styrax	Styracaceae
Arnebia guttata	Arnebia	Boraginaceae
Kaempferia galanga	Kaempferia	Zingiberaceae
Polyalthia nemoralis	Polyalthia	Annonaceae
Saussurea costus	Saussurea	Asteraceae
Actaea simplex	Actaea	Ranunculaceae
Eschweilera coriacea	Eschweilera	Lecythidaceae
Pogostemon cablin	Pogostemon	Lamiaceae
Eugenia caryopyhllata	Eugenia	Myrtaceae
Cinnamomum cassia	Cinnamomum	Lauraceae
Eucalyptus cladocalyx	Eucalyptus	Myrtaceae
Syzygium aromaticum	Syzygium	Myrtaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae
Tanacetum cinerariifolium	Tanacetum	Asteraceae
Traversia baccharoides	Traversia	Asteraceae
Ulva pertusa	Ulva	Ulvaceae
Ziziphus jujuba	Ziziphus	Rhamnaceae
Salvadora persica	Salvadora	Salvadoraceae
Elettaria cardamomum	Elettaria	Zingiberaceae
Commiphora myrrha	Commiphora	Burseraceae
Cinnamomum aromaticum	Cinnamomum	Lauraceae
Porophyllum ruderale	Porophyllum	Asteraceae
Peltodon longipes	Peltodon	Lamiaceae

Ingredient ID: NPC229827
Formula: C29H34O17

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OCC(=O)[C@H]([C@@H]([C@@H](CO/C=C(/[C@H]([C@@H]([C@@H](COc1cc(O)c2c(c1)oc(cc2=O)c1cc(OC)c(c(c1)OC)O)O)O)O)O)O)O)O
Standard InCHI	InChI=1S/C29H34O17/c1-42-22-3-12(4-23(43-2)29(22)41)20-7-15(32)24-14(31)5-13(6-21(24)46-20)45-11-19(36)28(40)27(39)18(35)10-44-9-17(34)26(38)25(37)16(33)8-30/h3-7,10,17,19,25-28,30-31,34-41H,8-9,11H2,1-2H3/b18-10-/t17-,19-,25-,26-,27-,28-/m1/s1
Standard InCHIKey	KLRXONYCJFOSBN-OUBZPLHOSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD185685]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tetracera alnifolia	Tetracera	Dilleniaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Rosa rugosa	Rosa	Rosaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae

Ingredient ID: NPC226490
Formula: C39H38O23

Common Name	n.a.
IUPAC Name	3-[[(2R,3S,4S,5R,6S)-6-[3-[(2S,3R,4S,5S,6R)-6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
Canonical SMILES	O=C(C=Cc1ccc(c(c1)O)O)OC[C@H]1O[C@@H](Oc2cc3c(cc(cc3[o+]c2c2cc(O)c(c(c2)O)O)O)O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C39H38O23/c40-16-8-22-17(23(9-16)59-38-35(54)33(52)32(51)26(61-38)13-57-29(48)11-27(45)46)10-24(37(58-22)15-6-20(43)30(49)21(44)7-15)60-39-36(55)34(53)31(50)25(62-39)12-56-28(47)4-2-14-1-3-18(41)19(42)5-14/h1-10,25-26,31-36,38-39,50-55H,11-13H2,(H6-,40,41,42,43,44,45,46,47,49)/p+1/t25-,26-,31-,32-,33+,34+,35-,36-,38-,39-/m1/s1
Standard InCHIKey	BRCDVDQOVIAQRF-AWJFVBHYSA-O
Ingredient External Links	PubChem CID: 101633888
Plant-Ingredient Association Reference	Database: UNPD [UNPD43947]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tetracera alnifolia	Tetracera	Dilleniaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Rosa rugosa	Rosa	Rosaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae

Ingredient ID: NPC217423
Formula: C10H12O3

Common Name	n.a.
IUPAC Name	ethyl 2-methoxybenzoate
Canonical SMILES	CCOC(=O)c1ccccc1OC
Standard InCHI	InChI=1S/C10H12O3/c1-3-13-10(11)8-6-4-5-7-9(8)12-2/h4-7H,3H2,1-2H3
Standard InCHIKey	FNODWEPAWIJGPM-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 81784
Plant-Ingredient Association Reference	Database: UNPD [UNPD133719] Database: NPASS [NPC217423]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tetracera alnifolia	Tetracera	Dilleniaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Rosa rugosa	Rosa	Rosaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae

Ingredient ID: NPC200209
Formula: C36H36O18

Common Name	n.a.
IUPAC Name	[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](COC(=O)C=Cc4ccc(cc4)O)[C@H]([C@@H]([C@H]2O)O)O)c([o+]3)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C36H36O18/c37-13-25-28(43)30(45)32(47)35(53-25)51-23-11-18(39)10-22-19(23)12-24(34(50-22)16-4-7-20(40)21(41)9-16)52-36-33(48)31(46)29(44)26(54-36)14-49-27(42)8-3-15-1-5-17(38)6-2-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1
Standard InCHIKey	YPXWWSJGANMFFQ-AQAMAIGXSA-O
Ingredient External Links	PubChem CID: 5282068
Plant-Ingredient Association Reference	Database: UNPD [UNPD52924]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Artemisia hanseniana	Artemisia	Asteraceae
Kopsia grandifolia	Kopsia	Apocynaceae
Tetracera alnifolia	Tetracera	Dilleniaceae
Ledebouria socialis	Ledebouria	Hyacinthaceae
Lycopus europaeus	Lycopus	Lamiaceae
Dipterocarpus dyeri	Dipterocarpus	Dipterocarpaceae
Ipomoea cairica	Ipomoea	Convolvulaceae
Ceanothus velutinus	Ceanothus	Rhamnaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Garcinia scortechinii	Garcinia	Clusiaceae
Apollonias barbujana	Apollonias	Lauraceae
Chlorophytum borivilianum	Chlorophytum	Asparagaceae
Rosa rugosa	Rosa	Rosaceae
Isodon lophanthoides	Isodon	Lamiaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Fragaria vesca	Fragaria	Rosaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Lasianthus fordii	Lasianthus	Rubiaceae
Aconitum leucostomum	Aconitum	Ranunculaceae
Aquilegia ecalcarata	Aquilegia	Ranunculaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae
Persea mexicana	Persea	Lauraceae
Gardenia tubifera	Gardenia	Rubiaceae
Panax innovans	Panax	Araliaceae
Blumea mollis	Blumea	Asteraceae
Perilla frutescens	Perilla	Lamiaceae

Ingredient ID: NPC195807
Formula: C35H44O21

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@@H]1O[C@H](Oc2c(OC)cc(cc2OC)c2oc3cc(O[C@@H]4O[C@@H](CO[C@H]5O[C@@H](C)[C@@H]([C@H]([C@@H]5O)O)O)[C@@H]([C@@H]([C@@H]4O)O)O)cc(c3c(=O)c2)O)[C@@H]([C@@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C35H44O21/c1-11-23(39)26(42)29(45)33(51-11)50-10-21-25(41)28(44)30(46)34(55-21)52-13-6-14(37)22-15(38)8-16(53-17(22)7-13)12-4-18(48-2)32(19(5-12)49-3)56-35-31(47)27(43)24(40)20(9-36)54-35/h4-8,11,20-21,23-31,33-37,39-47H,9-10H2,1-3H3/t11-,20-,21-,23-,24+,25-,26+,27+,28-,29-,30-,31+,33-,34+,35+/m0/s1
Standard InCHIKey	DTHALOCPATWECM-PVHPJOTLSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD88731]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tetracera alnifolia	Tetracera	Dilleniaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Rosa rugosa	Rosa	Rosaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae

Ingredient ID: NPC188907
Formula: C9H10O3

Common Name	n.a.
IUPAC Name	methyl 2-methoxybenzoate
Canonical SMILES	COC(=O)c1ccccc1OC
Standard InCHI	InChI=1S/C9H10O3/c1-11-8-6-4-3-5-7(8)9(10)12-2/h3-6H,1-2H3
Standard InCHIKey	PFYHAAAQPNMZHO-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 61151
Plant-Ingredient Association Reference	Database: UNPD [UNPD68736] Database: NPASS [NPC188907]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tetracera alnifolia	Tetracera	Dilleniaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Rosa rugosa	Rosa	Rosaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae

Ingredient ID: NPC168623
Formula: C27H30O15

Common Name	n.a.
IUPAC Name	(2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc(O)cc3c2cc(O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c([o+]3)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
Standard InCHIKey	SLCKJKWFULXZBD-ZOTFFYTFSA-O
Ingredient External Links	PubChem CID: 441772 ZINC ID: ZINC000004097757
Plant-Ingredient Association Reference	Database: UNPD []

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tetracera alnifolia	Tetracera	Dilleniaceae
Conyza canadensis	Conyza	Asteraceae
Coreopsis fasciculata	Coreopsis	Asteraceae
Selinum carvifolium	Selinum	Apiaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Rosa rugosa	Rosa	Rosaceae
Thuja plicata	Thuja	Cupressaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Crepis foetida	Crepis	Asteraceae
Cirsium japonicum	Cirsium	Asteraceae
Dorstenia lindeniana	Dorstenia	Moraceae
Dioscoreophyllum cumminsii	Dioscoreophyllum	Menispermaceae
Phytolacca acinosa	Phytolacca	Phytolaccaceae
Garcinia hombroniana	Garcinia	Clusiaceae
Cardiospermum halicacabum	Cardiospermum	Sapindaceae
Aglaia elaeagnoidea	Aglaia	Meliaceae
Punica granatum	Punica	Lythraceae
Urtica triangularis	Urtica	Urticaceae
Pouzolzia occidentalis	Pouzolzia	Urticaceae
Centaurea nigrescens	Centaurea	Asteraceae
Piper arboreum	Piper	Piperaceae
Parastrephia lepidophylla	Parastrephia	Asteraceae
Phlogacanthus thyrsiflorus	Phlogacanthus	Acanthaceae
Euphorbia segetalis	Euphorbia	Euphorbiaceae
Sidastrum acuminatum	Sidastrum	Malvaceae
Syncolostemon parviflorus	Syncolostemon	Lamiaceae
Aristolochia elegans	Aristolochia	Aristolochiaceae
Penstemon secundiflorus	Penstemon	Plantaginaceae
Cuphea carthagenensis	Cuphea	Lythraceae
Ozoroa insignis	Ozoroa	Anacardiaceae
Ruta microcarpa	Ruta	Rutaceae
Crinum defixum	Crinum	Amaryllidaceae
Zanthoxylum monophyllum	Zanthoxylum	Rutaceae
Astragalus gummifer	Astragalus	Fabaceae
Triglochin maritima	Triglochin	Juncaginaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae
Phedimus kamtschaticus	Phedimus	Crassulaceae

Ingredient ID: NPC14209
Formula: C29H34O17

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@@H]1O[C@](Oc2cc(O)c3c(c2)oc(cc3=O)c2cc(OC)c(c(c2)OC)O)([C@H]([C@@H]([C@H]1O)O)O)[C@@]1(CO)OC[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C29H34O17/c1-41-18-3-11(4-19(42-2)23(18)36)16-7-14(33)21-13(32)5-12(6-17(21)44-16)45-29(27(40)25(38)24(37)20(8-30)46-29)28(10-31)26(39)22(35)15(34)9-43-28/h3-7,15,20,22,24-27,30-32,34-40H,8-10H2,1-2H3/t15-,20-,22+,24-,25+,26-,27-,28-,29+/m0/s1
Standard InCHIKey	GNNOKZUFEFTFIS-NDYQONEWSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD167671]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tetracera alnifolia	Tetracera	Dilleniaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Rosa rugosa	Rosa	Rosaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae

Ingredient ID: NPC139144
Formula: C38H38O18

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC(=[O+]C[C@H]1O[C@@H](OC2=Cc3c(cc(cc3OC2=C2C=CC(=O)C=C2)O)O[C@@H]2O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O)C=Cc1ccc(cc1)O
Standard InCHI	InChI=1S/C38H38O18/c1-17(39)50-15-27-30(44)32(46)34(48)37(55-27)53-25-13-22(42)12-24-23(25)14-26(36(52-24)19-5-9-21(41)10-6-19)54-38-35(49)33(47)31(45)28(56-38)16-51-29(43)11-4-18-2-7-20(40)8-3-18/h2-14,27-28,30-35,37-38,44-49H,15-16H2,1H3,(H2-,40,41,42,43)/p+1/t27-,28-,30-,31-,32+,33+,34-,35-,37-,38-/m1/s1
Standard InCHIKey	NRMCGRZJALTCIN-UGSGSFAZSA-O
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD192085]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tetracera alnifolia	Tetracera	Dilleniaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Rosa rugosa	Rosa	Rosaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae

Ingredient ID: NPC126106
Formula: C30H32O18

Common Name	n.a.
IUPAC Name	3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxyoxan-2-yl]methoxy]propanoic acid
Canonical SMILES	OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](COC(=O)CC(=O)O)[C@H]([C@@H]([C@H]4O)O)O)cc(cc3[o+]c2c2ccc(cc2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C30H32O18/c31-9-18-22(37)24(39)26(41)30(47-18)46-17-7-14-15(44-28(17)11-1-3-12(32)4-2-11)5-13(33)6-16(14)45-29-27(42)25(40)23(38)19(48-29)10-43-21(36)8-20(34)35/h1-7,18-19,22-27,29-31,37-42H,8-10H2,(H2-,32,33,34,35)/p+1/t18-,19-,22-,23-,24+,25+,26-,27-,29-,30-/m1/s1
Standard InCHIKey	XAUWJGQEHRUDEM-IEKHAQANSA-O
Ingredient External Links	PubChem CID: 101930173
Plant-Ingredient Association Reference	Database: UNPD [UNPD44707]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Tetracera alnifolia	Tetracera	Dilleniaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Rosa rugosa	Rosa	Rosaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae

Ingredient ID: NPC118343
Formula: C14H12O2

Common Name	Benzyl Benzoate
IUPAC Name	benzyl benzoate
Canonical SMILES	O=C(c1ccccc1)OCc1ccccc1
Standard InCHI	InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
Standard InCHIKey	SESFRYSPDFLNCH-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 2345 ZINC ID: ZINC000000001021 ChEMBL ID: CHEMBL1239
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC118343]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Liquidambar orientalis	Liquidambar	Altingiaceae
Piper attenuatum	Piper	Piperaceae
Styrax benzoin	Styrax	Styracaceae
Tetracera alnifolia	Tetracera	Dilleniaceae
Murraya exotica	Murraya	Rutaceae
Artemisia jacutica	Artemisia	Asteraceae
Styrax tonkinensis	Styrax	Styracaceae
Sinapis semen	Sinapis	Brassicaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Bersama abyssinica	Bersama	Melianthaceae
Uvaria acuminata	Uvaria	Annonaceae
Lonicera japonica	Lonicera	Caprifoliaceae
Rosa rugosa	Rosa	Rosaceae
Chamaemelum nobile	Chamaemelum	Asteraceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Aconitum sajanense	Aconitum	Ranunculaceae
Schkuhria multiflora	Schkuhria	Asteraceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Espeletia grandiflora	Espeletia	Asteraceae
Strychnos triplinervia	Strychnos	Loganiaceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Chrysanthemum x morifolium	Chrysanthemum	Asteraceae
Leonurus japonicus	Leonurus	Lamiaceae
Solidago decurrens	Solidago	Asteraceae
Anthocleista grandiflora	Anthocleista	Gentianaceae
Hansenia weberbaueriana	Hansenia	Apiaceae
Helleborus caucasicus	Helleborus	Ranunculaceae
Lespedeza homoloba	Lespedeza	Fabaceae
Lolium perenne	Lolium	Poaceae
Hypoestes serpens	Hypoestes	Acanthaceae
Primula farinosa	Primula	Primulaceae
Cynomorium songaricum	Cynomorium	Cynomoriaceae
Murraya paniculata	Murraya	Rutaceae
Rheedia acuminata	Rheedia	Clusiaceae
Acacia aulacocarpa	Acacia	Fabaceae
Aspidosperma subincanum	Aspidosperma	Apocynaceae
Syzygium aromaticum	Syzygium	Myrtaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae
Hypericum perforatum	Hypericum	Hypericaceae
Cassia jahnii	Cassia	Fabaceae
Ardisia neriifolia	Ardisia	Primulaceae
Psiadia dentata	Psiadia	Asteraceae
Peritassa compta	Peritassa	Celastraceae
Eupatorium argentinum	Eupatorium	Asteraceae
Cryptocarya aschersoniana	Cryptocarya	Lauraceae
Myroxylon pereirae	Myroxylon	Fabaceae
Juniperus brevifolia	Juniperus	Cupressaceae
Avrainvillea rawsonii	Avrainvillea	Udoteaceae
Guatteria boliviana	Guatteria	Annonaceae
Damnacanthus major	Damnacanthus	Rubiaceae
Cinnamomum aromaticum	Cinnamomum	Lauraceae
Anemone flaccida	Anemone	Ranunculaceae
Stauntonia hexaphylla	Stauntonia	Lardizabalaceae
Rubus sanctus	Rubus	Rosaceae
Rosa multiflora	Rosa	Rosaceae

Ingredient ID: NPC108218
Formula: C8H10O

Common Name	n.a.
IUPAC Name	2-phenylethanol
Canonical SMILES	OCCc1ccccc1
Standard InCHI	InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
Standard InCHIKey	WRMNZCZEMHIOCP-UHFFFAOYSA-N
Ingredient External Links	PubChem CID: 6054
Plant-Ingredient Association Reference	Database: UNPD [UNPD186060] Database: NPASS [NPC108218]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Artemisia montana	Artemisia	Asteraceae
Artemisia capillaris	Artemisia	Asteraceae
Akebia trifoliata	Akebia	Lardizabalaceae
Arnebia euchroma	Arnebia	Boraginaceae
Aloe vera	Aloe	Xanthorrhoeaceae
Tetracera alnifolia	Tetracera	Dilleniaceae
Lithospermum erythrorhizon	Lithospermum	Boraginaceae
Vepris nobilis	Vepris	Rutaceae
Camptotheca acuminata	Camptotheca	Nyssaceae
Cornus officinalis	Cornus	Cornaceae
Aconitum fischeri	Aconitum	Ranunculaceae
Aloe ferox	Aloe	Asphodelaceae
Chromolaena odorata	Chromolaena	Asteraceae
Lonicera japonica	Lonicera	Caprifoliaceae
Rosa rugosa	Rosa	Rosaceae
Actaea dahurica	Actaea	Ranunculaceae
Convallaria majalis	Convallaria	Asparagaceae
Actaea cimicifuga	Actaea	Ranunculaceae
Atractylodes lancea	Atractylodes	Asteraceae
Saposhnikovia divaricata	Saposhnikovia	Apiaceae
Vitis vinifera	Vitis	Vitaceae
Pulmonaria mollis	Pulmonaria	Boraginaceae
Rabdosia angustifolia	Isodon	Lamiaceae
Rosa chinensis	Rosa	Rosaceae
Cicuta virosa	Cicuta	Apiaceae
Hyacinthus orientalis	Hyacinthus	Hyacinthaceae
Lagascea mollis	Lagascea	Asteraceae
Ligusticum sinense	Ligusticum	Apiaceae
Espeletia grandiflora	Espeletia	Asteraceae
Phlegmariurus yunnanensis	Phlegmariurus	Lycopodiaceae
Michelia alba	Michelia	Magnoliaceae
Akebia quinata	Akebia	Lardizabalaceae
Actinidia polygama	Actinidia	Actinidiaceae
Arnebia guttata	Arnebia	Boraginaceae
Bidens pilosa	Bidens	Asteraceae
Atractylodes macrocephala	Atractylodes	Asteraceae
Smilax bracteata	Smilax	Smilacaceae
Lepidium graminifolium	Lepidium	Brassicaceae
Panax notoginseng	Panax	Araliaceae
Drosera indica	Drosera	Droseraceae
Cnidium officinale	Cnidium	Apiaceae
Rhodiola crenulata	Rhodiola	Crassulaceae
Bombax ceiba	Bombax	Malvaceae
Astragalus bisulcatus	Astragalus	Fabaceae
Pinus flexilis	Pinus	Pinaceae
Brachyglottis bidwillii	Brachyglottis	Asteraceae
Bistorta officinalis	Bistorta	Polygonaceae
Galium mollugo	Galium	Rubiaceae
Drummondita hassellii	Drummondita	Rutaceae
Aconitum napellus	Aconitum	Ranunculaceae
Tynanthus panurensis	Tynanthus	Bignoniaceae
Ephedra distachya	Ephedra	Ephedraceae
Typha latifolia	Typha	Typhaceae
Achillea nana	Achillea	Asteraceae
Camellia saluenensis	Camellia	Theaceae
Senegalia mellifera	Senegalia	Fabaceae
Hansenia weberbaueriana	Hansenia	Apiaceae
Psilotum nudum	Psilotum	Psilotaceae
Uncaria sterrophylla	Uncaria	Rubiaceae
Vicia amoena	Vicia	Fabaceae
Flindersia xanthoxyla	Flindersia	Rutaceae
Calea lantanoides	Calea	Asteraceae
Bothriocline ripensis	Bothriocline	Asteraceae
Ballota limbata	Ballota	Lamiaceae
Angelica dahurica	Angelica	Apiaceae
Boenninghausenia albiflora	Boenninghausenia	Rutaceae
Cibotium barometz	Cibotium	Cibotiaceae
Dysosma pleianthum	Dysosma	Berberidaceae
Coronilla cretica	Coronilla	Fabaceae
Gardenia imperialis	Gardenia	Rubiaceae
Artemisia princeps	Artemisia	Asteraceae
Grindelia scorzonerifolia	Grindelia	Asteraceae
Scutellaria sieberi	Scutellaria	Lamiaceae
Lonchocarpus atropurpureus	Lonchocarpus	Fabaceae
Baccharoides lasiopus	Baccharoides	Asteraceae
Christisonia bicolor	Christisonia	Orobanchaceae
Spatholobus suberectus	Spatholobus	Fabaceae
Erysimum odoratum	Erysimum	Brassicaceae
Heterotheca inuloides	Heterotheca	Asteraceae
Delphinium andersoni	Delphinium	Ranunculaceae
Vaccinium vitis-idaea	Vaccinium	Ericaceae
Vismia jefensis	Vismia	Hypericaceae
Angelica tarokoensis	Angelica	Apiaceae
Swertia delavayi	Swertia	Gentianaceae
Atroxima liberica	Atroxima	Polygalaceae
Epimedium davidii	Epimedium	Berberidaceae
Globba malaccensis	Globba	Zingiberaceae
Diphasia angolensis	Diphasia	Rutaceae
Knightia excelsa	Knightia	Proteaceae
Piper longum	Piper	Piperaceae
Isodon japonicus	Isodon	Lamiaceae
Solanum acaule	Solanum	Solanaceae
Chaenomeles sinensis	Chaenomeles	Rosaceae
Frullania tamarisci	Frullania	Frullaniaceae
Alangium premnifolium	Alangium	Cornaceae
Bistorta manshuriensis	Bistorta	Polygonaceae
Linum crispum	Linum	Linaceae
Saussurea carthamoides	Saussurea	Asteraceae
Capsella bursa-pastoris	Capsella	Brassicaceae
Palafoxia texana	Palafoxia	Asteraceae
Galenia africana	Galenia	Aizoaceae
Micromeria pineolens	Micromeria	Lamiaceae
Gnidia lamprantha	Gnidia	Thymelaeaceae
Ilex amara	Ilex	Aquifoliaceae
Leonurus glaucescens	Leonurus	Lamiaceae
Sanguisorba officinalis	Sanguisorba	Rosaceae
Salacia madagascariensis	Salacia	Celastraceae
Maba buxifolia	Maba	Ebenaceae
Actaea simplex	Actaea	Ranunculaceae
Platycladus orientalis	Platycladus	Cupressaceae
Artemisia argyi	Artemisia	Asteraceae
Aloe spicata	Aloe	Asphodelaceae
Quercus sessiliflora	Quercus	Fagaceae
Hippophae fructus	Hippophae	Elaeagnaceae
Litchi chinensis	Litchi	Sapindaceae
Aloe africana	Aloe	Xanthorrhoeaceae
Rheedia acuminata	Rheedia	Clusiaceae
Acacia aulacocarpa	Acacia	Fabaceae
Aspidosperma subincanum	Aspidosperma	Apocynaceae
Apocynum androsaemifolium	Apocynum	Apocynaceae
Ardisia neriifolia	Ardisia	Primulaceae
Psiadia dentata	Psiadia	Asteraceae
Peritassa compta	Peritassa	Celastraceae
Eupatorium argentinum	Eupatorium	Asteraceae
Lawsonia inermis	Lawsonia	Lythraceae
Campsis flos	Campsis	Bignoniaceae
Lepidium draba	Lepidium	Brassicaceae
Petroselinum crispum	Petroselinum	Apiaceae
Cryptocarya aschersoniana	Cryptocarya	Lauraceae
Humulus scandens	Humulus	Cannabaceae
Juniperus brevifolia	Juniperus	Cupressaceae
Bergenia crassifolia	Bergenia	Saxifragaceae
Gomesa radicans	Gomesa	Orchidaceae
Guatteria boliviana	Guatteria	Annonaceae
Schisandra chinensis	Schisandra	Schisandraceae
Pseudocinchona pachyceras	Pseudocinchona	Rubiaceae
Anemone flaccida	Anemone	Ranunculaceae
Licaria brasiliensis	Licaria	Lauraceae
Crotalaria orixensis	Crotalaria	Fabaceae
Elaeodendron alluaudianum	Elaeodendron	Celastraceae
Crocus sativus	Crocus	Iridaceae

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
NPC108218	C8H10O		122.0731649	-0.1931	2.23	3.189	1	1	20.23	3	1	9	0
NPC118343	C14H12O2	Benzyl Benzoate	212.08	-0.0795	2.78	5.895	2	0	26.3	4	2	16	1
NPC126106	C30H32O18	3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxyoxan-2-yl]methoxy]propanoic acid	682.1745142	-5.1708	2.78	-1.277	14	11	282.59	11	5	48	3
NPC139144	C38H38O18		783.2136394	-4.2003	3.66	1.196	13	9	271.59	11	6	56	3
NPC14209	C29H34O17		654.1795996	-6.2554	2.78	-2.242	11	10	274.75	8	5	46	2
NPC168623	C27H30O15	(2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol	596.1741203	-5.335	2.78	-1.369	11	11	239.22	7	5	42	2
NPC188907	C9H10O3		166.0629942	-0.0406	2.12	2.675	2	0	35.53	5	1	12	0
NPC195807	C35H44O21		800.2375084	-6.7288	3	-2.371	15	11	322.67	11	6	56	3
NPC200209	C36H36O18	[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate	758.2058144	-5.5253	3.44	0.374	12	12	285.75	11	6	54	3
NPC217423	C10H12O3		180.0786442	0.2098	2.23	3.098	2	0	35.53	6	1	13	0
NPC226490	C39H38O23	3-[[(2R,3S,4S,5R,6S)-6-[3-[(2S,3R,4S,5S,6R)-6-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid	876.1960375	-6.2817	3.22	-0.813	15	14	369.58	15	6	62	3
NPC229827	C29H34O17		654.1795996	-6.5259	2.78	-3.907	11	10	282.59	16	3	46	3
NPC235059	C9H8O	Cinnamaldehyde	132.06	0.1687	2.34	3.985	1	0	17.07	2	1	10	0
NPC23837	C8H10O2	1,4-Dimethoxybenzene	138.07	-0.1036	2.12	1.908	0	0	18.46	4	1	10	0
NPC239931	C9H10O		134.0731649	0.0191	2.34	3.808	1	1	20.23	3	1	10	0
NPC248296	C36H36O18	[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate	757.1979893	-5.0397	3.44	0.14	12	11	285.75	9	6	54	2
NPC257124	C10H12O2	Eugenol	164.08	0.5166	2.34	2.484	0	1	29.46	5	1	12	0
NPC265184	C40H40O22	3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxychromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid	874.216773	-5.4129	3.44	0.022	15	12	338.35	16	6	62	3
NPC268868	C39H38O21	3-[[(2R,3S,4S,5R,6S)-6-[3-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-2-(4-hydroxyphenyl)chromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid	843.1983833	-4.8755	3.44	0.232	15	11	329.12	13	6	60	3
NPC292792	C11H14O2	Methyleugenol	178.1	0.9251	2.45	3.003	0	0	18.46	6	1	13	0
NPC295990	C39H38O21	3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxychromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid	844.2062083	-5.3611	3.44	0.466	15	12	329.12	15	6	60	3
NPC298120	C36H36O19	[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate	774.200729	-5.9856	3.33	-0.16	12	13	305.98	11	6	55	3
NPC301898	C37H38O18		771.2136394	-4.6312	3.55	0.23	12	10	274.75	10	6	55	2
NPC308501	C36H36O17	[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate	741.2030747	-4.5794	3.55	0.885	12	10	265.52	9	6	53	2
NPC32877	C39H38O20		827.2034686	-4.4152	3.55	0.977	15	10	308.89	13	6	59	3
NPC38408	C27H30O17	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxane-3,4,5-triol	628.1639496	-6.2556	2.56	-2.437	11	13	279.68	7	5	44	2
NPC56253	C21H23O10		433.1134719	-3.7212	2.67	0.644	6	7	169.3	4	4	31	1
NPC56506	C39H38O22	3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxan-2-yl]methoxy]propanoic acid	860.2011229	-5.8214	3.33	-0.068	15	13	349.35	15	6	61	3
NPC58616	C9H10O2	E1501	150.07	-0.0696	2.23	3.149	2	0	26.3	4	1	11	0
NPC5947	C40H40O21		857.2140333	-4.467	3.55	0.322	15	10	318.12	14	6	61	3
NPC82123	C39H38O20		827.2034686	-4.4152	3.55	0.548	15	10	308.89	13	6	59	3

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