CMAUP Plant Ingredients

20 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: NPC87152
Formula: C43H49NO18

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CC(=O)OC[C@]12[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]3[C@]([C@@]42O[C@@]([C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)c1ccccc1)[C@H]4OC(=O)C)(C)COC(=O)c1c([C@H]([C@@H](C(=O)O3)C)C)nccc1)(C)O
Standard InCHI	InChI=1S/C43H49NO18/c1-20-21(2)37(50)61-34-32(56-23(4)46)36(59-26(7)49)42(19-54-22(3)45)35(58-25(6)48)31(60-38(51)27-14-11-10-12-15-27)29-33(57-24(5)47)43(42,41(34,9)53)62-40(29,8)18-55-39(52)28-16-13-17-44-30(20)28/h10-17,20-21,29,31-36,53H,18-19H2,1-9H3/t20-,21-,29+,31-,32-,33+,34-,35+,36-,40-,41-,42+,43-/m0/s1
Standard InCHIKey	KEGLSEMSUHHFTM-CRCCJMMFSA-N
Ingredient External Links	PubChem CID: 70684079 ChEMBL ID: CHEMBL2047341
Plant-Ingredient Association Reference	Database: UNPD [UNPD49387] Database: NPASS [NPC87152]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Elymus repens	Elymus	Poaceae
Acacia pachyphloia	Acacia	Fabaceae
Centipeda cunninghami	Centipeda	Asteraceae
Lavandula dentata	Lavandula	Lamiaceae
Chrysanthemum x morifolium	Chrysanthemum	Asteraceae
Pyrus ussuriensis	Pyrus	Rosaceae
Maytenus aquifolium	Maytenus	Celastraceae
Valeriana wolgensis	Valeriana	Caprifoliaceae
Cyanostegia microphylla	Cyanostegia	Lamiaceae
Maytenus cuzcoina	Maytenus	Celastraceae
Ranunculus sceleratus	Ranunculus	Ranunculaceae
Euphorbia leuconeura	Euphorbia	Euphorbiaceae
Isocoma pluriflora	Isocoma	Asteraceae

Ingredient ID: NPC307063
Formula: C30H50O

Common Name	Friedeline
IUPAC Name	(4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
Canonical SMILES	O=C1CC[C@@H]2[C@]([C@H]1C)(C)CC[C@H]1[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C
Standard InCHI	InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1
Standard InCHIKey	OFMXGFHWLZPCFL-SVRPQWSVSA-N
Ingredient External Links	PubChem CID: 91472 ZINC ID: ZINC000004097720 ChEMBL ID: CHEMBL485998
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC307063]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Citrus hybr	Citrus	Rutaceae
Ophiorrhiza liukiuensis	Ophiorrhiza	Rubiaceae
Phoenix loureiroi	Phoenix	Arecaceae
Artemisia montana	Artemisia	Asteraceae
Dryopteris crenata	Dryopteris	Dryopteridaceae
Thalictrum longistylum	Thalictrum	Ranunculaceae
Clematis hexapetala	Clematis	Ranunculaceae
Trichilia hirta	Trichilia	Meliaceae
Glycyrrhiza squamulosa	Glycyrrhiza	Fabaceae
Hopea jucunda	Hopea	Dipterocarpaceae
Silene fortunei	Silene	Caryophyllaceae
Neolitsea dealbata	Neolitsea	Lauraceae
Elymus repens	Elymus	Poaceae
Eurybia divaricata	Eurybia	Asteraceae
Echinops grijsii	Echinops	Asteraceae
Matricaria parthenium	Matricaria	Asteraceae
Centaurea cadmea	Centaurea	Asteraceae
Atylosia trinervia	Atylosia	Fabaceae
Teucrium leucocladum	Teucrium	Lamiaceae
Elaeagnus commutata	Elaeagnus	Elaeagnaceae
Salvia parryi	Salvia	Lamiaceae
Pluchea sericea	Pluchea	Asteraceae
Ania latifolia	Ania	Orchidaceae
Eucalyptus froggattii	Eucalyptus	Myrtaceae
Adenopeltis colliguaya	Adenopeltis	Euphorbiaceae
Macaranga tanarius	Macaranga	Euphorbiaceae
Iris ensata	Iris	Iridaceae
Silene inflata	Silene	Caryophyllaceae
Thesium humile	Thesium	Thesiaceae
Peucedanum longifolium	Peucedanum	Apiaceae
Conyza canadensis	Conyza	Asteraceae
Swartzia madagascariensis	Swartzia	Fabaceae
Pulicaria wightiana	Pulicaria	Asteraceae
Euphorbia iberica	Euphorbia	Euphorbiaceae
Coreopsis fasciculata	Coreopsis	Asteraceae
Quercus mongolica	Quercus	Fagaceae
Cneorum pulverulentum	Cneorum	Rutaceae
Aloe indica	Aloe	Asphodelaceae
Swertia corymbosa	Swertia	Gentianaceae
Perityle vaseyi	Perityle	Asteraceae
Carpinus cordata	Carpinus	Betulaceae
Gymnadenia conopsea	Gymnadenia	Orchidaceae
Petasites georgicus	Petasites	Asteraceae
Balanophora harlandii	Balanophora	Balanophoraceae
Syzygium jambos	Syzygium	Myrtaceae
Pedicularis condensata	Pedicularis	Orobanchaceae
Pistacia mexicana	Pistacia	Anacardiaceae
Selinum carvifolium	Selinum	Apiaceae
Palafoxia rosea	Palafoxia	Asteraceae
Eucalyptus regnans	Eucalyptus	Myrtaceae
Acacia pachyphloia	Acacia	Fabaceae
Mangifera persiciformis	Mangifera	Anacardiaceae
Chrozophora obliqua	Chrozophora	Euphorbiaceae
Iris pallida	Iris	Iridaceae
Ipomoea muelleri	Ipomoea	Convolvulaceae
Dolichandrone crispa	Dolichandrone	Bignoniaceae
Narcissus concolor	Narcissus	Amaryllidaceae
Senecio flavus	Senecio	Asteraceae
Plantago alpina	Plantago	Plantaginaceae
Euphorbia polygonifolia	Euphorbia	Euphorbiaceae
Salvia coulteri	Salvia	Lamiaceae
Mnium hornum	Mnium	Mniaceae
Dirca occidentalis	Dirca	Thymelaeaceae
Porella swartziana	Porella	Porellaceae
Arabidopsis lyrata subsp. lyrata	Arabidopsis	Brassicaceae
Bonnetia dinizii	Bonnetia	Bonnetiaceae
Vismia laurentii	Vismia	Hypericaceae
Agave shawii	Agave	Asparagaceae
Thapsia transtagana	Thapsia	Apiaceae
Meconopsis napaulensis	Meconopsis	Papaveraceae
Achyranthes bidentata	Achyranthes	Amaranthaceae
Rheum webbianum	Rheum	Polygonaceae
Jacobaea adonidifolia	Jacobaea	Asteraceae
Mascarenhasia arborescens	Mascarenhasia	Apocynaceae
Acacia sparsiflora	Acacia	Fabaceae
Eucalyptus flocktoniae	Eucalyptus	Myrtaceae
Abutilon grandiflorum	Abutilon	Malvaceae
Kummerowia striata	Kummerowia	Fabaceae
Euonymus japonicus	Euonymus	Celastraceae
Senecio desfontainei	Senecio	Asteraceae
Pyrus x bretschneideri	Pyrus	Rosaceae
Camellia sasanqua	Camellia	Theaceae
Thymbra spicata	Thymbra	Lamiaceae
Solidago chinensis	Solidago	Asteraceae
Drypetes littoralis	Drypetes	Putranjivaceae
Phoebe formosana	Phoebe	Lauraceae
Edgeworthia gardneri	Edgeworthia	Thymelaeaceae
Sida cordifolia	Sida	Malvaceae
Blainvillea rhomboidea	Blainvillea	Asteraceae
Werneria decora	Werneria	Asteraceae
Pristimera indica	Pristimera	Celastraceae
Senecio chinensis	Senecio	Asteraceae
Micromonas pusilla	Micromonas	Mamiellaceae
Acacia glaucescens	Acacia	Fabaceae
Clematis terniflora var. mandshurica	Clematis	Ranunculaceae
Thuja plicata	Thuja	Cupressaceae
Millettia conraui	Millettia	Fabaceae
Plumbago pulchella	Plumbago	Plumbaginaceae
Centaurea seridis	Centaurea	Asteraceae
Polygala ruwenzoriensis	Polygala	Polygalaceae
Astrantia major	Astrantia	Apiaceae
Centipeda cunninghami	Centipeda	Asteraceae
Flindersia brayleyana	Flindersia	Rutaceae
Agave utahensis	Agave	Asparagaceae
Satureja cuneifolia	Satureja	Lamiaceae
Thermopsis lanceolata	Thermopsis	Fabaceae
Rumex conglomeratus	Rumex	Polygonaceae
Consolida ajacis	Consolida	Ranunculaceae
Convallaria keiskei	Convallaria	Asparagaceae
Chisocheton siamensis	Chisocheton	Meliaceae
Thryptomene kochii	Thryptomene	Myrtaceae
Polemonium caeruleum	Polemonium	Polemoniaceae
Viburnum rhytidophyllum	Viburnum	Adoxaceae
Cajanus cajan	Cajanus	Fabaceae
Clarkia unguiculata	Clarkia	Onagraceae
Raukaua simplex	Raukaua	Araliaceae
Plectocephalus chilensis	Plectocephalus	Asteraceae
Euphorbia aellenii	Euphorbia	Euphorbiaceae
Prunus japonica	Prunus	Rosaceae
Valeriana cardamines	Valeriana	Caprifoliaceae
Phlegmariurus fordii	Phlegmariurus	Lycopodiaceae
Ephedra aphylla	Ephedra	Ephedraceae
Fagraea fragrans	Fagraea	Gentianaceae
Uncaria lancifolia	Uncaria	Rubiaceae
Aniba parviflora	Aniba	Lauraceae
Ormosia flava	Ormosia	Fabaceae
Lavandula dentata	Lavandula	Lamiaceae
Quercus variabilis	Quercus	Fagaceae
Liabum bourgeaui	Liabum	Asteraceae
Crepis foetida	Crepis	Asteraceae
Turpinia ternata	Turpinia	Staphyleaceae
Adina rubescens	Adina	Rubiaceae
Cirsium japonicum	Cirsium	Asteraceae
Poa sphondylodes	Poa	Poaceae
Dorstenia lindeniana	Dorstenia	Moraceae
Jaborosa caulescens	Jaborosa	Solanaceae
Dioscoreophyllum cumminsii	Dioscoreophyllum	Menispermaceae
Myrtus tomentosa	Myrtus	Myrtaceae
Quercus canariensis	Quercus	Fagaceae
Chrysanthemum x morifolium	Chrysanthemum	Asteraceae
Soulamea pancheri	Soulamea	Simaroubaceae
Phytolacca acinosa	Phytolacca	Phytolaccaceae
Pinus longifolia	Pinus	Pinaceae
Garcinia hombroniana	Garcinia	Clusiaceae
Baccharis thesioides	Baccharis	Asteraceae
Dendrobium chrysotoxum	Dendrobium	Orchidaceae
Stenostomum acutatum	Stenostomum	Rubiaceae
Verbena triphylla	Verbena	Verbenaceae
Cardiospermum halicacabum	Cardiospermum	Sapindaceae
Aglaia elaeagnoidea	Aglaia	Meliaceae
Punica granatum	Punica	Lythraceae
Pyrus ussuriensis	Pyrus	Rosaceae
Urtica triangularis	Urtica	Urticaceae
Strychnos ledermannii	Strychnos	Loganiaceae
Nuphar lutea	Nuphar	Nymphaeaceae
Pouzolzia occidentalis	Pouzolzia	Urticaceae
Sciadotenia toxifera	Sciadotenia	Menispermaceae
Centaurea nigrescens	Centaurea	Asteraceae
Achillea arabica	Achillea	Asteraceae
Maytenus aquifolium	Maytenus	Celastraceae
Piper arboreum	Piper	Piperaceae
Durio zibethinus	Durio	Malvaceae
Valeriana wolgensis	Valeriana	Caprifoliaceae
Parastrephia lepidophylla	Parastrephia	Asteraceae
Phlogacanthus thyrsiflorus	Phlogacanthus	Acanthaceae
Euphorbia segetalis	Euphorbia	Euphorbiaceae
Cyanostegia microphylla	Cyanostegia	Lamiaceae
Sideritis romana	Sideritis	Lamiaceae
Sidastrum acuminatum	Sidastrum	Malvaceae
Maytenus cuzcoina	Maytenus	Celastraceae
Syncolostemon parviflorus	Syncolostemon	Lamiaceae
Ranunculus sceleratus	Ranunculus	Ranunculaceae
Aristolochia elegans	Aristolochia	Aristolochiaceae
Excoecaria agallocha	Excoecaria	Euphorbiaceae
Penstemon secundiflorus	Penstemon	Plantaginaceae
Aglaia forbesii	Aglaia	Meliaceae
Curcuma kwangsiensis	Curcuma	Zingiberaceae
Cuphea carthagenensis	Cuphea	Lythraceae
Euphorbia leuconeura	Euphorbia	Euphorbiaceae
Ozoroa insignis	Ozoroa	Anacardiaceae
Valeriana microphylla	Valeriana	Caprifoliaceae
Hydnocarpus hainanensis	Hydnocarpus	Achariaceae
Ruta microcarpa	Ruta	Rutaceae
Crinum defixum	Crinum	Amaryllidaceae
Guettarda eximia	Guettarda	Rubiaceae
Achillea micrantha	Achillea	Asteraceae
Leptosyne bigelovii	Leptosyne	Asteraceae
Heracleum sphondylium	Heracleum	Apiaceae
Micranthemum umbrosum	Micranthemum	Plantaginaceae
Bituminaria bituminosa	Bituminaria	Fabaceae
Hypolaena fastigiata	Hypolaena	Restionaceae
Imperata cylindrica	Imperata	Poaceae
Zanthoxylum monophyllum	Zanthoxylum	Rutaceae
Baptisia lecontii	Baptisia	Fabaceae
Primula integrifolia	Primula	Primulaceae
Centaurea hololeuca	Centaurea	Asteraceae
Euphorbia biglandulosa	Euphorbia	Euphorbiaceae
Randia longispina	Randia	Rubiaceae
Plazia daphnoides	Plazia	Asteraceae
Stevia origanoides	Stevia	Asteraceae
Meryta denhamii	Meryta	Araliaceae
Angiopteris caudatiformis	Angiopteris	Marattiaceae
Gypothamnium pinifolium	Gypothamnium	Asteraceae
Euphorbia cheiradenia	Euphorbia	Euphorbiaceae
Peperomia heyneana	Peperomia	Piperaceae
Sophora secundiflora	Sophora	Fabaceae
Beaumontia brevituba	Beaumontia	Apocynaceae
Pedicularis densispica	Pedicularis	Orobanchaceae
Spatholobus suberectus	Spatholobus	Fabaceae
Centaurea aemulans	Centaurea	Asteraceae
Meliosma lanceolata	Meliosma	Sabiaceae
Tulipa silvestris	Tulipa	Liliaceae
Fritillaria taipaiensis	Fritillaria	Liliaceae
Solanum chacoense	Solanum	Solanaceae
Dalbergia stipulacea	Dalbergia	Fabaceae
Dahlstedtia pinnata	Dahlstedtia	Fabaceae
Anomospermum grandifolium	Anomospermum	Menispermaceae
Cordylanthus kingii	Cordylanthus	Orobanchaceae
Cheilanthes mysurensis	Cheilanthes	Pteridaceae
Penianthus zenkeri	Penianthus	Menispermaceae
Agastache rugosa	Agastache	Lamiaceae
Annona cherimolia	Annona	Annonaceae
Iryanthera juruensis	Iryanthera	Myristicaceae
Maytenus apurimacensis	Maytenus	Celastraceae
Cassia javanica subsp. nodosa	Cassia	Fabaceae
Mimosa invisa	Mimosa	Fabaceae
Ruscus aculeatus	Ruscus	Asparagaceae
Astragalus pamirensis	Astragalus	Fabaceae
Artemisia annua	Artemisia	Asteraceae
Hakea amplexicaulis	Hakea	Proteaceae
Daphne papyracea	Daphne	Thymelaeaceae
Echinochloa crus-galli	Echinochloa	Poaceae
Erinus alpinus	Erinus	Plantaginaceae
Micromelum minutum	Micromelum	Rutaceae
Geranium macrorrhizum	Geranium	Geraniaceae
Valeriana hardwickii	Valeriana	Caprifoliaceae
Senecio macrophyllus	Senecio	Asteraceae
Maclura aurantiaca	Maclura	Moraceae
Coleus coerulescens	Coleus	Lamiaceae
Annona impressivenia	Annona	Annonaceae
Mandragora officinarum	Mandragora	Solanaceae
Berberis lambertii	Berberis	Berberidaceae
Thunbergia grandiflora	Thunbergia	Acanthaceae
Onoseris lopezii	Onoseris	Asteraceae
Zanthoxylum syncarpum	Zanthoxylum	Rutaceae
Artemisia vestita	Artemisia	Asteraceae
Rosa hybrid cultivar	Rosa	Rosaceae
Aster altaicus	Aster	Asteraceae
Xyris pterygoblephara	Xyris	Xyridaceae
Poterium sanguisorba	Poterium	Rosaceae
Plumeria alba	Plumeria	Apocynaceae
Pygeum topengii	Pygeum	Rosaceae
Dovyalis abyssinica	Dovyalis	Salicaceae
Aster tataricus	Aster	Asteraceae
Miconia myriantha	Miconia	Melastomataceae
Radermachera xylocarpa	Radermachera	Bignoniaceae
Alseodaphne corneri	Alseodaphne	Lauraceae
Thymus piperella	Thymus	Lamiaceae
Populus grandidentata	Populus	Salicaceae
Forsteronia refracta	Forsteronia	Apocynaceae
Eragrostis viscosa	Eragrostis	Poaceae
Nauclea officinalis	Nauclea	Rubiaceae
Grewia mollis	Grewia	Malvaceae
Eupatorium hyssopifolium	Eupatorium	Asteraceae
Astragalus gummifer	Astragalus	Fabaceae
Heterotheca grandiflora	Heterotheca	Asteraceae
Croton cumingii	Croton	Euphorbiaceae
Bersama yangambiensis	Bersama	Melianthaceae
Ruta pinnata	Ruta	Rutaceae
Khaya grandifoliola	Khaya	Meliaceae
Disynaphia halimifolia	Disynaphia	Asteraceae
Sinoadina racemosa	Sinoadina	Rubiaceae
Sinocrassula indica	Sinocrassula	Crassulaceae
Agave huachucensis	Agave	Asparagaceae
Kaunia saltensis	Kaunia	Asteraceae
Heliotropium floridum	Heliotropium	Heliotropiaceae
Castanopsis sclerophylla	Castanopsis	Fagaceae
Gymnocarpium robertianum	Gymnocarpium	Cystopteridaceae
Picea breweriana	Picea	Pinaceae
Oncoba echinata	Oncoba	Salicaceae
Salvia dorrii	Salvia	Lamiaceae
Juglans nigra	Juglans	Juglandaceae
Teucrium depressum	Teucrium	Lamiaceae
Mangifera indica	Mangifera	Anacardiaceae
Maytenus horrida	Maytenus	Celastraceae
Aconitum nevadense	Aconitum	Ranunculaceae
Baileya multiradiata	Baileya	Asteraceae
Trichilia rubescens	Trichilia	Meliaceae
Conocephalum japonicum	Conocephalum	Conocephalaceae
Hovenia acerba	Hovenia	Rhamnaceae
Erigeron linifolius	Erigeron	Asteraceae
Stevia polycephala	Stevia	Asteraceae
Pogostemon cablin	Pogostemon	Lamiaceae
Triglochin maritima	Triglochin	Juncaginaceae
Virola elongata	Virola	Myristicaceae
Sophora angustifolia	Sophora	Fabaceae
Kaempferia marginata	Kaempferia	Zingiberaceae
Lupinus cosentinii	Lupinus	Fabaceae
Rhododendron formosanum	Rhododendron	Ericaceae
Toxicopueraria peduncularis	Toxicopueraria	Fabaceae
Vitex pinnata	Vitex	Lamiaceae
Fridericia chica	Fridericia	Bignoniaceae
Jungermannia obovata	Jungermannia	Jungermanniaceae
Quercus suber	Quercus	Fagaceae
Elaeocarpus fuscoides	Elaeocarpus	Elaeocarpaceae
Crucianella maritima	Crucianella	Rubiaceae
Pittocaulon velatum	Pittocaulon	Asteraceae
Trichilia claussenii	Trichilia	Meliaceae
Munronia delavayi	Munronia	Meliaceae
Myristica argentea	Myristica	Myristicaceae
Chlamydomonas reinhardtii	Chlamydomonas	Chlamydomonadaceae
Elephantopus mollis	Elephantopus	Asteraceae
Doodia picta	Doodia	Blechnaceae
Allium neapolitanum	Allium	Amaryllidaceae
Morinda citrifolia	Morinda	Rubiaceae
Gomortega keule	Gomortega	Gomortegaceae
Lonchocarpus urucu	Lonchocarpus	Fabaceae
Portulaca oleracea	Portulaca	Portulacaceae
Eucalyptus cordata	Eucalyptus	Myrtaceae
Yucca flexilis	Yucca	Asparagaceae
Cassia roxburghii	Cassia	Fabaceae
Cycas armstrongii	Cycas	Cycadaceae
Codonopsis radix	Codonopsis	Campanulaceae
Viburnum davidii	Viburnum	Adoxaceae
Alnus firma	Alnus	Betulaceae
Jasonia montana	Jasonia	Asteraceae
Turraeanthus mannii	Turraeanthus	Meliaceae
Cycas revoluta	Cycas	Cycadaceae
Agathosma scaberula	Agathosma	Rutaceae
Coleus garckeanus	Coleus	Lamiaceae
Nephelium mutabile	Nephelium	Sapindaceae
Calodendrum capense	Calodendrum	Rutaceae
Veronica chamaedrys	Veronica	Plantaginaceae
Stevia purpurea	Stevia	Asteraceae
Solanum sisymbriifolium	Solanum	Solanaceae
Fritillaria ussuriensis	Fritillaria	Liliaceae
Quercus robur	Quercus	Fagaceae
Gerbera piloselloides	Gerbera	Asteraceae
Salvia miltiorrhiza	Salvia	Lamiaceae
Bidens cernua	Bidens	Asteraceae
Artemisia arbuscula	Artemisia	Asteraceae
Pentzia calva	Pentzia	Asteraceae
Mammillaria magnimamma	Mammillaria	Cactaceae
Tetracera asiatica	Tetracera	Dilleniaceae
Licaria armeniaca	Licaria	Lauraceae
Croton caudatus	Croton	Euphorbiaceae
Phedimus kamtschaticus	Phedimus	Crassulaceae
Artemisia bigelovii	Artemisia	Asteraceae
Betula davurica	Betula	Betulaceae
Humulus scandens	Humulus	Cannabaceae
Clematis chinensis	Clematis	Ranunculaceae
Typha domingensis	Typha	Typhaceae
Picea mariana	Picea	Pinaceae
Oxera splendida	Oxera	Lamiaceae
Viguiera oblongifolia	Viguiera	Asteraceae
Salacia chinensis	Salacia	Celastraceae
Ixora chinensis	Ixora	Rubiaceae
Cyathocline purpurea	Cyathocline	Asteraceae
Vitex agnus-castus	Vitex	Lamiaceae
Smilax myosotiflora	Smilax	Smilacaceae
Eria tomentosa	Eria	Orchidaceae
Tilia vulgaris	Tilia	Malvaceae
Kadsura heteroclita	Kadsura	Schisandraceae
Grindelia perennis	Grindelia	Asteraceae
Symphonia globulifera	Symphonia	Clusiaceae
Viburnum urceolatum	Viburnum	Adoxaceae
Meconopsis horridula	Meconopsis	Papaveraceae
Mallotus repandus	Mallotus	Euphorbiaceae
Euryops algoensis	Euryops	Asteraceae
Aconitum fauriei	Aconitum	Ranunculaceae
Artemisia schimperi	Artemisia	Asteraceae
Rohdea wattii	Rohdea	Asparagaceae
Citrus reshni	Citrus	Rutaceae
Glycosmis ovoidea	Glycosmis	Rutaceae
Ambrosia grayi	Ambrosia	Asteraceae
Gardenia jasminoides	Gardenia	Rubiaceae
Anisomeles indica	Anisomeles	Lamiaceae
Litsea pungens	Litsea	Lauraceae
Clematis manshurica	Clematis	Ranunculaceae
Dacrycarpus imbricatus	Dacrycarpus	Podocarpaceae
Merremia umbellata	Merremia	Convolvulaceae
Argyranthemum frutescens	Argyranthemum	Asteraceae
Cichorium intybus	Cichorium	Asteraceae
Isocoma pluriflora	Isocoma	Asteraceae

Ingredient ID: NPC306375
Formula: C38H48O23

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O[C@H]1O[C@@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)O)O)O)O
Standard InCHI	InChI=1S/C38H48O23/c1-11-21(43)26(48)29(51)35(55-11)54-10-19-24(46)27(49)34(61-37-30(52)32(22(44)12(2)56-37)59-36-28(50)23(45)17(42)9-53-36)38(58-19)60-33-25(47)20-16(41)7-15(40)8-18(20)57-31(33)13-3-5-14(39)6-4-13/h3-8,11-12,17,19,21-24,26-30,32,34-46,48-52H,9-10H2,1-2H3/t11-,12-,17-,19-,21-,22-,23-,24+,26+,27+,28+,29+,30+,32+,34-,35+,36-,37-,38+/m0/s1
Standard InCHIKey	ALGKOJZNIQBASA-PJQWMBFESA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD100815]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Elymus repens	Elymus	Poaceae
Acacia pachyphloia	Acacia	Fabaceae
Centipeda cunninghami	Centipeda	Asteraceae
Lavandula dentata	Lavandula	Lamiaceae
Chrysanthemum x morifolium	Chrysanthemum	Asteraceae
Pyrus ussuriensis	Pyrus	Rosaceae
Maytenus aquifolium	Maytenus	Celastraceae
Valeriana wolgensis	Valeriana	Caprifoliaceae
Cyanostegia microphylla	Cyanostegia	Lamiaceae
Maytenus cuzcoina	Maytenus	Celastraceae
Ranunculus sceleratus	Ranunculus	Ranunculaceae
Euphorbia leuconeura	Euphorbia	Euphorbiaceae
Isocoma pluriflora	Isocoma	Asteraceae

Ingredient ID: NPC293979
Formula: C42H48N2O18

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CC(=O)OC[C@]12[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]3[C@]([C@@]42O[C@@]([C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)c1cccnc1)[C@H]4OC(=O)C)(C)COC(=O)c1c([C@@H]([C@@H](C(=O)O3)C)C)nccc1)(C)O
Standard InCHI	InChI=1S/C42H48N2O18/c1-19-20(2)36(50)61-33-31(56-22(4)46)35(59-25(7)49)41(18-54-21(3)45)34(58-24(6)48)30(60-37(51)26-12-10-14-43-16-26)28-32(57-23(5)47)42(41,40(33,9)53)62-39(28,8)17-55-38(52)27-13-11-15-44-29(19)27/h10-16,19-20,28,30-35,53H,17-18H2,1-9H3/t19-,20+,28-,30+,31+,32-,33+,34-,35+,39+,40+,41-,42+/m1/s1
Standard InCHIKey	WYGMSWSZNDHDMQ-DJYQNQBDSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD97884]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Elymus repens	Elymus	Poaceae
Acacia pachyphloia	Acacia	Fabaceae
Centipeda cunninghami	Centipeda	Asteraceae
Lavandula dentata	Lavandula	Lamiaceae
Chrysanthemum x morifolium	Chrysanthemum	Asteraceae
Pyrus ussuriensis	Pyrus	Rosaceae
Maytenus aquifolium	Maytenus	Celastraceae
Valeriana wolgensis	Valeriana	Caprifoliaceae
Cyanostegia microphylla	Cyanostegia	Lamiaceae
Maytenus cuzcoina	Maytenus	Celastraceae
Ranunculus sceleratus	Ranunculus	Ranunculaceae
Euphorbia leuconeura	Euphorbia	Euphorbiaceae
Isocoma pluriflora	Isocoma	Asteraceae

Ingredient ID: NPC292419
Formula: C30H52O

Common Name	n.a.
IUPAC Name	(3S,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol
Canonical SMILES	O[C@H]1CC[C@@H]2[C@]([C@H]1C)(C)CC[C@H]1[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C
Standard InCHI	InChI=1S/C30H52O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1
Standard InCHIKey	XCDQFROEGGNAER-PFOIMGGJSA-N
Ingredient External Links	PubChem CID: 119242 ZINC ID: ZINC000006067010
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC292419]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Elymus repens	Elymus	Poaceae
Pluchea sericea	Pluchea	Asteraceae
Macaranga tanarius	Macaranga	Euphorbiaceae
Swartzia madagascariensis	Swartzia	Fabaceae
Acacia pachyphloia	Acacia	Fabaceae
Ipomoea muelleri	Ipomoea	Convolvulaceae
Dolichandrone crispa	Dolichandrone	Bignoniaceae
Narcissus concolor	Narcissus	Amaryllidaceae
Euphorbia polygonifolia	Euphorbia	Euphorbiaceae
Aquilaria sinensis	Aquilaria	Thymelaeaceae
Arabidopsis lyrata subsp. lyrata	Arabidopsis	Brassicaceae
Bonnetia dinizii	Bonnetia	Bonnetiaceae
Thapsia transtagana	Thapsia	Apiaceae
Jacobaea adonidifolia	Jacobaea	Asteraceae
Abutilon grandiflorum	Abutilon	Malvaceae
Pristimera indica	Pristimera	Celastraceae
Centipeda cunninghami	Centipeda	Asteraceae
Thryptomene kochii	Thryptomene	Myrtaceae
Viburnum rhytidophyllum	Viburnum	Adoxaceae
Cajanus cajan	Cajanus	Fabaceae
Raukaua simplex	Raukaua	Araliaceae
Euphorbia aellenii	Euphorbia	Euphorbiaceae
Prunus japonica	Prunus	Rosaceae
Valeriana cardamines	Valeriana	Caprifoliaceae
Uncaria lancifolia	Uncaria	Rubiaceae
Aniba parviflora	Aniba	Lauraceae
Lavandula dentata	Lavandula	Lamiaceae
Quercus variabilis	Quercus	Fagaceae
Liabum bourgeaui	Liabum	Asteraceae
Chrysanthemum x morifolium	Chrysanthemum	Asteraceae
Strychnos decussata	Strychnos	Loganiaceae
Eugenia myrcianthes	Eugenia	Myrtaceae
Jacobaea persoonii	Jacobaea	Asteraceae
Baccharis thesioides	Baccharis	Asteraceae
Ungernia minor	Ungernia	Amaryllidaceae
Pyrus ussuriensis	Pyrus	Rosaceae
Forsythia suspensa	Forsythia	Oleaceae
Crocus sieberi	Crocus	Iridaceae
Montanoa karwinskii	Montanoa	Asteraceae
Achillea arabica	Achillea	Asteraceae
Maytenus aquifolium	Maytenus	Celastraceae
Valeriana wolgensis	Valeriana	Caprifoliaceae
Cyanostegia microphylla	Cyanostegia	Lamiaceae
Maytenus cuzcoina	Maytenus	Celastraceae
Salix matsudana	Salix	Salicaceae
Ranunculus sceleratus	Ranunculus	Ranunculaceae
Excoecaria agallocha	Excoecaria	Euphorbiaceae
Curcuma kwangsiensis	Curcuma	Zingiberaceae
Euphorbia leuconeura	Euphorbia	Euphorbiaceae
Verbena bonariensis	Verbena	Verbenaceae
Paeonia veitchii	Paeonia	Paeoniaceae
Spatholobus suberectus	Spatholobus	Fabaceae
Meliosma lanceolata	Meliosma	Sabiaceae
Cordylanthus kingii	Cordylanthus	Orobanchaceae
Artemisia annua	Artemisia	Asteraceae
Hakea amplexicaulis	Hakea	Proteaceae
Echinochloa crus-galli	Echinochloa	Poaceae
Annona impressivenia	Annona	Annonaceae
Gynochthodes officinalis	Gynochthodes	Rubiaceae
Berberis lambertii	Berberis	Berberidaceae
Thunbergia grandiflora	Thunbergia	Acanthaceae
Zanthoxylum syncarpum	Zanthoxylum	Rutaceae
Poterium sanguisorba	Poterium	Rosaceae
Pygeum topengii	Pygeum	Rosaceae
Alseodaphne corneri	Alseodaphne	Lauraceae
Thymus piperella	Thymus	Lamiaceae
Forsteronia refracta	Forsteronia	Apocynaceae
Eragrostis viscosa	Eragrostis	Poaceae
Nauclea officinalis	Nauclea	Rubiaceae
Grewia mollis	Grewia	Malvaceae
Heterotheca grandiflora	Heterotheca	Asteraceae
Croton cumingii	Croton	Euphorbiaceae
Bersama yangambiensis	Bersama	Melianthaceae
Ruta pinnata	Ruta	Rutaceae
Disynaphia halimifolia	Disynaphia	Asteraceae
Sinocrassula indica	Sinocrassula	Crassulaceae
Kaunia saltensis	Kaunia	Asteraceae
Heliotropium floridum	Heliotropium	Heliotropiaceae
Castanopsis sclerophylla	Castanopsis	Fagaceae
Gymnocarpium robertianum	Gymnocarpium	Cystopteridaceae
Oncoba echinata	Oncoba	Salicaceae
Salvia dorrii	Salvia	Lamiaceae
Juglans nigra	Juglans	Juglandaceae
Teucrium depressum	Teucrium	Lamiaceae
Mangifera indica	Mangifera	Anacardiaceae
Aconitum nevadense	Aconitum	Ranunculaceae
Trichilia rubescens	Trichilia	Meliaceae
Conocephalum japonicum	Conocephalum	Conocephalaceae
Hovenia acerba	Hovenia	Rhamnaceae
Stevia polycephala	Stevia	Asteraceae
Pogostemon cablin	Pogostemon	Lamiaceae
Sophora angustifolia	Sophora	Fabaceae
Kaempferia marginata	Kaempferia	Zingiberaceae
Rhododendron formosanum	Rhododendron	Ericaceae
Toxicopueraria peduncularis	Toxicopueraria	Fabaceae
Vitex pinnata	Vitex	Lamiaceae
Fridericia chica	Fridericia	Bignoniaceae
Elaeocarpus fuscoides	Elaeocarpus	Elaeocarpaceae
Elephantopus mollis	Elephantopus	Asteraceae
Doodia picta	Doodia	Blechnaceae
Baphicacanthus cusia	Baphicacanthus	Acanthaceae
Calodendrum capense	Calodendrum	Rutaceae
Veronica chamaedrys	Veronica	Plantaginaceae
Stevia purpurea	Stevia	Asteraceae
Croton caudatus	Croton	Euphorbiaceae
Betula davurica	Betula	Betulaceae
Humulus scandens	Humulus	Cannabaceae
Oxera splendida	Oxera	Lamiaceae
Malus sylvestris	Malus	Rosaceae
Cratoxylum maingayi	Cratoxylum	Hypericaceae
Vitex agnus-castus	Vitex	Lamiaceae
Meconopsis horridula	Meconopsis	Papaveraceae
Cuphea infundibulum	Cuphea	Lythraceae
Glycosmis ovoidea	Glycosmis	Rutaceae
Argyranthemum frutescens	Argyranthemum	Asteraceae
Isocoma pluriflora	Isocoma	Asteraceae

Ingredient ID: NPC287063
Formula: C28H36O3

Common Name	Tingenone
IUPAC Name	(6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
Canonical SMILES	C[C@@H]1C[C@@H]2[C@@](CC1=O)(C)CC[C@]1([C@@]2(C)CC[C@@]2(C1=CC=C1C2=CC(=O)C(=C1C)O)C)C
Standard InCHI	InChI=1S/C28H36O3/c1-16-13-23-25(3,15-21(16)30)9-11-27(5)22-8-7-18-17(2)24(31)20(29)14-19(18)26(22,4)10-12-28(23,27)6/h7-8,14,16,23,31H,9-13,15H2,1-6H3/t16-,23-,25+,26+,27-,28+/m1/s1
Standard InCHIKey	WSTYNZDAOAEEKG-GWJSGULQSA-N
Ingredient External Links	PubChem CID: 101520 ZINC ID: ZINC000005760627 ChEMBL ID: CHEMBL432519
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC287063]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Elymus repens	Elymus	Poaceae
Elaeagnus commutata	Elaeagnus	Elaeagnaceae
Adenopeltis colliguaya	Adenopeltis	Euphorbiaceae
Quercus mongolica	Quercus	Fagaceae
Cneorum pulverulentum	Cneorum	Rutaceae
Perityle vaseyi	Perityle	Asteraceae
Pedicularis condensata	Pedicularis	Orobanchaceae
Palafoxia rosea	Palafoxia	Asteraceae
Acacia pachyphloia	Acacia	Fabaceae
Chrozophora obliqua	Chrozophora	Euphorbiaceae
Senecio flavus	Senecio	Asteraceae
Salvia coulteri	Salvia	Lamiaceae
Porella swartziana	Porella	Porellaceae
Meconopsis napaulensis	Meconopsis	Papaveraceae
Rheum webbianum	Rheum	Polygonaceae
Mascarenhasia arborescens	Mascarenhasia	Apocynaceae
Eucalyptus flocktoniae	Eucalyptus	Myrtaceae
Kummerowia striata	Kummerowia	Fabaceae
Thymbra spicata	Thymbra	Lamiaceae
Phoebe formosana	Phoebe	Lauraceae
Sida cordifolia	Sida	Malvaceae
Millettia conraui	Millettia	Fabaceae
Centaurea seridis	Centaurea	Asteraceae
Centipeda cunninghami	Centipeda	Asteraceae
Flindersia brayleyana	Flindersia	Rutaceae
Satureja cuneifolia	Satureja	Lamiaceae
Consolida ajacis	Consolida	Ranunculaceae
Chisocheton siamensis	Chisocheton	Meliaceae
Lavandula dentata	Lavandula	Lamiaceae
Chrysanthemum x morifolium	Chrysanthemum	Asteraceae
Pyrus ussuriensis	Pyrus	Rosaceae
Maytenus aquifolium	Maytenus	Celastraceae
Valeriana wolgensis	Valeriana	Caprifoliaceae
Cyanostegia microphylla	Cyanostegia	Lamiaceae
Maytenus cuzcoina	Maytenus	Celastraceae
Ranunculus sceleratus	Ranunculus	Ranunculaceae
Euphorbia leuconeura	Euphorbia	Euphorbiaceae
Heracleum sphondylium	Heracleum	Apiaceae
Bituminaria bituminosa	Bituminaria	Fabaceae
Centaurea hololeuca	Centaurea	Asteraceae
Maytenus retusa	Maytenus	Celastraceae
Peperomia heyneana	Peperomia	Piperaceae
Beaumontia brevituba	Beaumontia	Apocynaceae
Dalbergia stipulacea	Dalbergia	Fabaceae
Iryanthera juruensis	Iryanthera	Myristicaceae
Astragalus pamirensis	Astragalus	Fabaceae
Echinochloa crus-galli	Echinochloa	Poaceae
Coleus coerulescens	Coleus	Lamiaceae
Mandragora officinarum	Mandragora	Solanaceae
Berberis lambertii	Berberis	Berberidaceae
Thunbergia grandiflora	Thunbergia	Acanthaceae
Zanthoxylum syncarpum	Zanthoxylum	Rutaceae
Kokoona ochracea	Kokoona	Celastraceae
Jungermannia obovata	Jungermannia	Jungermanniaceae
Turraeanthus mannii	Turraeanthus	Meliaceae
Coleus garckeanus	Coleus	Lamiaceae
Solanum sisymbriifolium	Solanum	Solanaceae
Gerbera piloselloides	Gerbera	Asteraceae
Salacia chinensis	Salacia	Celastraceae
Rohdea wattii	Rohdea	Asparagaceae
Merremia umbellata	Merremia	Convolvulaceae
Isocoma pluriflora	Isocoma	Asteraceae

Ingredient ID: NPC278399
Formula: C39H50O25

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](O[C@H]([C@H]([C@H]3O)O)CO[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)Oc3c(oc4c(c3=O)c(O)cc(c4)O)c3ccc(c(c3)O)O)O[C@@H]([C@H]2O)C)[C@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C39H50O25/c1-10-21(45)26(50)29(53)36(57-10)56-9-19-24(48)28(52)35(64-38-31(55)33(22(46)11(2)58-38)62-37-30(54)27(51)23(47)18(8-40)60-37)39(61-19)63-34-25(49)20-16(44)6-13(41)7-17(20)59-32(34)12-3-4-14(42)15(43)5-12/h3-7,10-11,18-19,21-24,26-31,33,35-48,50-55H,8-9H2,1-2H3/t10-,11+,18-,19-,21-,22+,23-,24+,26+,27+,28+,29+,30-,31-,33-,35-,36+,37+,38+,39+/m0/s1
Standard InCHIKey	CBSLALAKOKYDBZ-KWXOLURISA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD93169]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Elymus repens	Elymus	Poaceae
Acacia pachyphloia	Acacia	Fabaceae
Centipeda cunninghami	Centipeda	Asteraceae
Lavandula dentata	Lavandula	Lamiaceae
Chrysanthemum x morifolium	Chrysanthemum	Asteraceae
Pyrus ussuriensis	Pyrus	Rosaceae
Maytenus aquifolium	Maytenus	Celastraceae
Valeriana wolgensis	Valeriana	Caprifoliaceae
Cyanostegia microphylla	Cyanostegia	Lamiaceae
Maytenus cuzcoina	Maytenus	Celastraceae
Ranunculus sceleratus	Ranunculus	Ranunculaceae
Euphorbia leuconeura	Euphorbia	Euphorbiaceae
Isocoma pluriflora	Isocoma	Asteraceae

Ingredient ID: NPC255039
Formula: C36H45NO17

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CC(=O)OC[C@]12[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]3[C@]([C@@]42O[C@@]([C@H]([C@@H]([C@H]1OC(=O)C)O)[C@H]4OC(=O)C)(C)COC(=O)c1c([C@@H]([C@@H](C(=O)O3)C)C)nccc1)(C)O
Standard InCHI	InChI=1S/C36H45NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,25-30,43,46H,13-14H2,1-9H3/t15-,16+,23-,25+,26+,27-,28-,29+,30+,33+,34+,35-,36+/m1/s1
Standard InCHIKey	NLOQRURWORDOGK-HBBIKTDBSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD176624]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Elymus repens	Elymus	Poaceae
Acacia pachyphloia	Acacia	Fabaceae
Centipeda cunninghami	Centipeda	Asteraceae
Lavandula dentata	Lavandula	Lamiaceae
Chrysanthemum x morifolium	Chrysanthemum	Asteraceae
Pyrus ussuriensis	Pyrus	Rosaceae
Maytenus aquifolium	Maytenus	Celastraceae
Valeriana wolgensis	Valeriana	Caprifoliaceae
Cyanostegia microphylla	Cyanostegia	Lamiaceae
Maytenus cuzcoina	Maytenus	Celastraceae
Ranunculus sceleratus	Ranunculus	Ranunculaceae
Euphorbia leuconeura	Euphorbia	Euphorbiaceae
Isocoma pluriflora	Isocoma	Asteraceae

Ingredient ID: NPC248235
Formula: C27H30O15

Common Name	n.a.
IUPAC Name	3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Canonical SMILES	OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C27H30O15/c1-9-17(32)20(35)22(37)26(38-9)42-25-21(36)18(33)15(8-28)40-27(25)41-24-19(34)16-13(31)6-12(30)7-14(16)39-23(24)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-22,25-33,35-37H,8H2,1H3/t9-,15+,17-,18-,20+,21-,22+,25+,26-,27-/m0/s1
Standard InCHIKey	OHOBPOYHROOXEI-SRIOWEGGSA-N
Ingredient External Links	PubChem CID: 5487339
Plant-Ingredient Association Reference	Database: UNPD [UNPD116493]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Elymus repens	Elymus	Poaceae
Acacia pachyphloia	Acacia	Fabaceae
Centipeda cunninghami	Centipeda	Asteraceae
Lavandula dentata	Lavandula	Lamiaceae
Chrysanthemum x morifolium	Chrysanthemum	Asteraceae
Pyrus ussuriensis	Pyrus	Rosaceae
Maytenus aquifolium	Maytenus	Celastraceae
Valeriana wolgensis	Valeriana	Caprifoliaceae
Cyanostegia microphylla	Cyanostegia	Lamiaceae
Maytenus cuzcoina	Maytenus	Celastraceae
Ranunculus sceleratus	Ranunculus	Ranunculaceae
Euphorbia leuconeura	Euphorbia	Euphorbiaceae
Isocoma pluriflora	Isocoma	Asteraceae

Ingredient ID: NPC220825
Formula: C15H14O7

Common Name	Epigallocatechin
IUPAC Name	(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Canonical SMILES	Oc1cc2O[C@H](c3cc(O)c(c(c3)O)O)[C@@H](Cc2c(c1)O)O
Standard InCHI	InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1
Standard InCHIKey	XMOCLSLCDHWDHP-IUODEOHRSA-N
Ingredient External Links	PubChem CID: 72277 ChEMBL ID: CHEMBL47386
Plant-Ingredient Association Reference	Database: UNPD [UNPD20600] Database: NPASS [NPC220825]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Lespedeza bicolor	Lespedeza	Fabaceae
Phoenix loureiroi	Phoenix	Arecaceae
Thalictrum longistylum	Thalictrum	Ranunculaceae
Acanthospermum glabratum	Acanthospermum	Asteraceae
Callicarpa japonica	Callicarpa	Lamiaceae
Avrainvillea longicaulis	Avrainvillea	Udoteaceae
Elymus repens	Elymus	Poaceae
Arum alpinum	Arum	Araceae
Tripterygium hypoglaucum	Tripterygium	Celastraceae
Atylosia trinervia	Atylosia	Fabaceae
Elaeagnus commutata	Elaeagnus	Elaeagnaceae
Angelica lucida	Angelica	Apiaceae
Salvia parryi	Salvia	Lamiaceae
Strophanthus kombe	Strophanthus	Apocynaceae
Adenopeltis colliguaya	Adenopeltis	Euphorbiaceae
Castanea vesca	Castanea	Fagaceae
Iris ensata	Iris	Iridaceae
Crataegus pinnatifida	Crataegus	Rosaceae
Quercus mongolica	Quercus	Fagaceae
Cneorum pulverulentum	Cneorum	Rutaceae
Perityle vaseyi	Perityle	Asteraceae
Petasites georgicus	Petasites	Asteraceae
Pedicularis condensata	Pedicularis	Orobanchaceae
Senegalia catechu	Senegalia	Fabaceae
Helichrysum cephaloideum	Helichrysum	Asteraceae
Palafoxia rosea	Palafoxia	Asteraceae
Acacia pachyphloia	Acacia	Fabaceae
Nerine bowdenii	Nerine	Amaryllidaceae
Cotula cinerea	Cotula	Asteraceae
Chrozophora obliqua	Chrozophora	Euphorbiaceae
Hemionitis japonica	Hemionitis	Pteridaceae
Daphniphyllum paxianum	Daphniphyllum	Daphniphyllaceae
Senecio flavus	Senecio	Asteraceae
Salvia coulteri	Salvia	Lamiaceae
Sedum obtuso-lineare	Sedum	Crassulaceae
Porella swartziana	Porella	Porellaceae
Trollius chinensis	Trollius	Ranunculaceae
Piptocarpha oblonga	Piptocarpha	Asteraceae
Meconopsis napaulensis	Meconopsis	Papaveraceae
Rheum webbianum	Rheum	Polygonaceae
Mascarenhasia arborescens	Mascarenhasia	Apocynaceae
Eucalyptus flocktoniae	Eucalyptus	Myrtaceae
Chrysothamnus parryi	Chrysothamnus	Asteraceae
Hypericum balearicum	Hypericum	Hypericaceae
Kummerowia striata	Kummerowia	Fabaceae
Thymbra spicata	Thymbra	Lamiaceae
Phoebe formosana	Phoebe	Lauraceae
Sida cordifolia	Sida	Malvaceae
Bryum argenteum	Bryum	Bryaceae
Apocynum venetum	Apocynum	Apocynaceae
Millettia conraui	Millettia	Fabaceae
Centaurea seridis	Centaurea	Asteraceae
Centipeda cunninghami	Centipeda	Asteraceae
Flindersia brayleyana	Flindersia	Rutaceae
Gardenia turgida	Gardenia	Rubiaceae
Satureja cuneifolia	Satureja	Lamiaceae
Euphorbia amygdaloides	Euphorbia	Euphorbiaceae
Consolida ajacis	Consolida	Ranunculaceae
Entada phaseoloides	Entada	Fabaceae
Hesperis matronalis	Hesperis	Brassicaceae
Jatropha macrorhiza	Jatropha	Euphorbiaceae
Jackiella javanica	Jackiella	Jackiellaceae
Rhus vulgaris	Rhus	Anacardiaceae
Cladrastis platycarpa	Cladrastis	Fabaceae
Eremanthus seidelii	Eremanthus	Asteraceae
Pangium edule	Pangium	Achariaceae
Senecio adenophyllus	Senecio	Asteraceae
Lilium umbellatum	Lilium	Liliaceae
Artemisia rehan	Artemisia	Asteraceae
Elephantopus hirtiflorus	Elephantopus	Asteraceae
Nematolepis phebalioides	Nematolepis	Rutaceae
Solidago flexicaulis	Solidago	Asteraceae
Ligularia cymbulifera	Ligularia	Asteraceae
Coprosma areolata	Coprosma	Rubiaceae
Thymus vulgaris	Thymus	Lamiaceae
Oreopteris quelpaertensis	Oreopteris	Thelypteridaceae
Lavandula dentata	Lavandula	Lamiaceae
Viguiera linearis	Viguiera	Asteraceae
Turpinia ternata	Turpinia	Staphyleaceae
Chrysanthemum x morifolium	Chrysanthemum	Asteraceae
Cneoridium dumosum	Cneoridium	Rutaceae
Hymenoxys insignis	Hymenoxys	Asteraceae
Pyrus ussuriensis	Pyrus	Rosaceae
Magnolia montana	Michelia	Magnoliaceae
Nuphar lutea	Nuphar	Nymphaeaceae
Alyxia reinwardtii	Alyxia	Apocynaceae
Stereospermum cylindricum	Stereospermum	Bignoniaceae
Maytenus aquifolium	Maytenus	Celastraceae
Solanum nigrum	Solanum	Solanaceae
Valeriana wolgensis	Valeriana	Caprifoliaceae
Cyanostegia microphylla	Cyanostegia	Lamiaceae
Microtropis fokienensis	Microtropis	Celastraceae
Maytenus cuzcoina	Maytenus	Celastraceae
Ranunculus sceleratus	Ranunculus	Ranunculaceae
Sterculia foetida	Sterculia	Malvaceae
Euphorbia leuconeura	Euphorbia	Euphorbiaceae
Heracleum sphondylium	Heracleum	Apiaceae
Centaurea linifolia	Centaurea	Asteraceae
Bituminaria bituminosa	Bituminaria	Fabaceae
Serratula inermis	Serratula	Asteraceae
Machilus macrantha	Machilus	Lauraceae
Spatholobus suberectus	Spatholobus	Fabaceae
Dalbergia stipulacea	Dalbergia	Fabaceae
Ginkgo biloba	Ginkgo	Ginkgoaceae
Gmelina asiatica	Gmelina	Lamiaceae
Artemisia carvifolia	Artemisia	Asteraceae
Lycoris radiata	Lycoris	Amaryllidaceae
Vigna mungo	Vigna	Fabaceae
Xyris pterygoblephara	Xyris	Xyridaceae
Morus alba	Morus	Moraceae
Phyllanthus emblica	Phyllanthus	Phyllanthaceae
Capnoides sempervirens	Capnoides	Papaveraceae
Myrica rubra	Myrica	Myricaceae
Cephalaria uralensis	Cephalaria	Caprifoliaceae
Morella rubra	Morella	Myricaceae
Jungermannia obovata	Jungermannia	Jungermanniaceae
Limonium sinense	Limonium	Plumbaginaceae
Geranium sylvaticum	Geranium	Geraniaceae
Elephantopus mollis	Elephantopus	Asteraceae
Hypericum perforatum	Hypericum	Hypericaceae
Aglaia formosana	Aglaia	Meliaceae
Gomortega keule	Gomortega	Gomortegaceae
Vitellaria paradoxa	Vitellaria	Sapotaceae
Sesbania bispinosa	Sesbania	Fabaceae
Limonium gmelinii	Limonium	Plumbaginaceae
Turraeanthus mannii	Turraeanthus	Meliaceae
Coleus garckeanus	Coleus	Lamiaceae
Haplophyllum ferganicum	Haplophyllum	Rutaceae
Callicarpa maingayi	Callicarpa	Lamiaceae
Crotalaria aegyptiaca	Crotalaria	Fabaceae
Solanum sisymbriifolium	Solanum	Solanaceae
Quercus robur	Quercus	Fagaceae
Gerbera piloselloides	Gerbera	Asteraceae
Solidago serotina	Solidago	Asteraceae
Aglaia laxiflora	Aglaia	Meliaceae
Artemisia klotzchiana	Artemisia	Asteraceae
Mimusops caffra	Mimusops	Sapotaceae
Dicoma capensis	Dicoma	Asteraceae
Picea mariana	Picea	Pinaceae
Viguiera oblongifolia	Viguiera	Asteraceae
Acacia arabica	Acacia	Fabaceae
Salacia chinensis	Salacia	Celastraceae
Digitalis isabelliana	Digitalis	Plantaginaceae
Scopolia hladnikiana	Scopolia	Solanaceae
Veronica arvensis	Veronica	Plantaginaceae
Camellia sinensis	Camellia	Theaceae
Viburnum urceolatum	Viburnum	Adoxaceae
Sonchus ortunoi	Sonchus	Asteraceae
Euryops algoensis	Euryops	Asteraceae
Artemisia schimperi	Artemisia	Asteraceae
Pteris radiata	Pteris	Pteridaceae
Sorbaria sorbifolia	Sorbaria	Rosaceae
Styrax ferrugineus	Styrax	Styracaceae
Adina sessilifolia	Adina	Rubiaceae
Gardenia jasminoides	Gardenia	Rubiaceae
Litsea pungens	Litsea	Lauraceae
Vincetoxicum hirundinaria	Vincetoxicum	Apocynaceae
Merremia umbellata	Merremia	Convolvulaceae
Isocoma pluriflora	Isocoma	Asteraceae
Euphorbia turczaninowii	Euphorbia	Euphorbiaceae

Ingredient ID: NPC178140
Formula: C39H50O24

Common Name	n.a.
IUPAC Name	3-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@H](O[C@H]3[C@@H](O[C@@H]([C@@H]([C@@H]3O)O)CO[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)Oc3c(oc4c(c3=O)c(O)cc(c4)O)c3ccc(cc3)O)O[C@H]([C@@H]2O)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C39H50O24/c1-11-21(44)26(49)29(52)36(56-11)55-10-19-24(47)28(51)35(63-38-31(54)33(22(45)12(2)57-38)61-37-30(53)27(50)23(46)18(9-40)59-37)39(60-19)62-34-25(48)20-16(43)7-15(42)8-17(20)58-32(34)13-3-5-14(41)6-4-13/h3-8,11-12,18-19,21-24,26-31,33,35-47,49-54H,9-10H2,1-2H3/t11-,12-,18+,19+,21-,22-,23+,24-,26+,27-,28-,29+,30+,31+,33+,35+,36+,37-,38-,39-/m0/s1
Standard InCHIKey	WGIYIIVVCUJTAO-LKYMEELQSA-N
Ingredient External Links	PubChem CID: 10724415
Plant-Ingredient Association Reference	Database: UNPD [UNPD104662]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Elymus repens	Elymus	Poaceae
Acacia pachyphloia	Acacia	Fabaceae
Centipeda cunninghami	Centipeda	Asteraceae
Lavandula dentata	Lavandula	Lamiaceae
Chrysanthemum x morifolium	Chrysanthemum	Asteraceae
Pyrus ussuriensis	Pyrus	Rosaceae
Maytenus aquifolium	Maytenus	Celastraceae
Valeriana wolgensis	Valeriana	Caprifoliaceae
Cyanostegia microphylla	Cyanostegia	Lamiaceae
Maytenus cuzcoina	Maytenus	Celastraceae
Ranunculus sceleratus	Ranunculus	Ranunculaceae
Euphorbia leuconeura	Euphorbia	Euphorbiaceae
Isocoma pluriflora	Isocoma	Asteraceae

Ingredient ID: NPC174167
Formula: C30H40O4

Common Name	Pristimerin
IUPAC Name	methyl (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
Canonical SMILES	COC(=O)[C@]1(C)CC[C@]2([C@@H](C1)[C@]1(C)CC[C@@]3(C(=CC=C4C3=CC(=O)C(=C4C)O)[C@]1(CC2)C)C)C
Standard InCHI	InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1
Standard InCHIKey	JFACETXYABVHFD-WXPPGMDDSA-N
Ingredient External Links	PubChem CID: 159516 ZINC ID: ZINC000004097723 ChEMBL ID: CHEMBL54804
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC174167]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Citrus hybr	Citrus	Rutaceae
Elymus repens	Elymus	Poaceae
Acacia pachyphloia	Acacia	Fabaceae
Iris pallida	Iris	Iridaceae
Pyrus x bretschneideri	Pyrus	Rosaceae
Solidago chinensis	Solidago	Asteraceae
Centipeda cunninghami	Centipeda	Asteraceae
Chisocheton siamensis	Chisocheton	Meliaceae
Stemona tuberosa	Stemona	Stemonaceae
Lavandula dentata	Lavandula	Lamiaceae
Chrysanthemum x morifolium	Chrysanthemum	Asteraceae
Pyrus ussuriensis	Pyrus	Rosaceae
Maytenus aquifolium	Maytenus	Celastraceae
Valeriana wolgensis	Valeriana	Caprifoliaceae
Cyanostegia microphylla	Cyanostegia	Lamiaceae
Maytenus cuzcoina	Maytenus	Celastraceae
Ranunculus sceleratus	Ranunculus	Ranunculaceae
Euphorbia leuconeura	Euphorbia	Euphorbiaceae
Achillea micrantha	Achillea	Asteraceae
Centaurea hololeuca	Centaurea	Asteraceae
Plazia daphnoides	Plazia	Asteraceae
Euphorbia cheiradenia	Euphorbia	Euphorbiaceae
Maytenus retusa	Maytenus	Celastraceae
Peperomia heyneana	Peperomia	Piperaceae
Beaumontia brevituba	Beaumontia	Apocynaceae
Iryanthera juruensis	Iryanthera	Myristicaceae
Maytenus apurimacensis	Maytenus	Celastraceae
Astragalus pamirensis	Astragalus	Fabaceae
Echinochloa crus-galli	Echinochloa	Poaceae
Coleus coerulescens	Coleus	Lamiaceae
Mandragora officinarum	Mandragora	Solanaceae
Berberis lambertii	Berberis	Berberidaceae
Thunbergia grandiflora	Thunbergia	Acanthaceae
Zanthoxylum syncarpum	Zanthoxylum	Rutaceae
Bupleurum falcatum	Bupleurum	Apiaceae
Crucianella maritima	Crucianella	Rubiaceae
Rheum maximowiczii	Rheum	Polygonaceae
Magnolia officinalis	Magnolia	Magnoliaceae
Bidens cernua	Bidens	Asteraceae
Pentzia calva	Pentzia	Asteraceae
Tetracera asiatica	Tetracera	Dilleniaceae
Kadsura heteroclita	Kadsura	Schisandraceae
Symphonia globulifera	Symphonia	Clusiaceae
Rohdea wattii	Rohdea	Asparagaceae
Isocoma pluriflora	Isocoma	Asteraceae

Ingredient ID: NPC171145
Formula: C37H66O7

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CCCCCC[C@@H](CCC[C@H]([C@@H]1CC[C@H](O1)[C@@H]1CC[C@H](O1)[C@H](CCCCCCCCCCCCC1=C[C@H](OC1=O)C)O)O)O
Standard InCHI	InChI=1S/C37H66O7/c1-3-4-5-15-19-30(38)20-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-13-11-9-7-6-8-10-12-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28-,30+,31+,32-,33+,34+,35+,36+/m1/s1
Standard InCHIKey	DAEFUOXKPZLQMM-YCIXBJDUSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD165388]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Elymus repens	Elymus	Poaceae
Acacia pachyphloia	Acacia	Fabaceae
Centipeda cunninghami	Centipeda	Asteraceae
Lavandula dentata	Lavandula	Lamiaceae
Chrysanthemum x morifolium	Chrysanthemum	Asteraceae
Pyrus ussuriensis	Pyrus	Rosaceae
Maytenus aquifolium	Maytenus	Celastraceae
Valeriana wolgensis	Valeriana	Caprifoliaceae
Cyanostegia microphylla	Cyanostegia	Lamiaceae
Maytenus cuzcoina	Maytenus	Celastraceae
Ranunculus sceleratus	Ranunculus	Ranunculaceae
Euphorbia leuconeura	Euphorbia	Euphorbiaceae
Isocoma pluriflora	Isocoma	Asteraceae

Ingredient ID: NPC157764
Formula: C35H64O7

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CCCCCCCCCCCC[C@H]([C@@H](CC[C@@H]([C@H]1CC[C@H](O1)CCCCCCC[C@@H](CC1=C[C@H](OC1=O)C)O)O)O)O
Standard InCHI	InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-14-17-20-31(37)32(38)22-23-33(39)34-24-21-30(42-34)19-16-13-11-12-15-18-29(36)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29+,30-,31-,32-,33+,34-/m1/s1
Standard InCHIKey	YPSCFXUHUJPNHJ-OBVPFLEBSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD13579]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Elymus repens	Elymus	Poaceae
Acacia pachyphloia	Acacia	Fabaceae
Centipeda cunninghami	Centipeda	Asteraceae
Lavandula dentata	Lavandula	Lamiaceae
Chrysanthemum x morifolium	Chrysanthemum	Asteraceae
Pyrus ussuriensis	Pyrus	Rosaceae
Maytenus aquifolium	Maytenus	Celastraceae
Valeriana wolgensis	Valeriana	Caprifoliaceae
Cyanostegia microphylla	Cyanostegia	Lamiaceae
Maytenus cuzcoina	Maytenus	Celastraceae
Ranunculus sceleratus	Ranunculus	Ranunculaceae
Euphorbia leuconeura	Euphorbia	Euphorbiaceae
Isocoma pluriflora	Isocoma	Asteraceae

Ingredient ID: NPC144595
Formula: C37H66O7

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CCCCCCCCCC/C=CCC[C@H]([C@@H](CC[C@@H]([C@H]1CC[C@H](O1)CCCCCCC[C@@H](CC1=C[C@@H](OC1=O)C)O)O)O)O
Standard InCHI	InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-33(39)34(40)24-25-35(41)36-26-23-32(44-36)21-18-15-13-14-17-20-31(38)28-30-27-29(2)43-37(30)42/h12,16,27,29,31-36,38-41H,3-11,13-15,17-26,28H2,1-2H3/b16-12-/t29-,31-,32+,33+,34+,35-,36+/m0/s1
Standard InCHIKey	OOKJEMBYFZCLNC-GOXJHTIBSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD182333]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Elymus repens	Elymus	Poaceae
Acacia pachyphloia	Acacia	Fabaceae
Centipeda cunninghami	Centipeda	Asteraceae
Lavandula dentata	Lavandula	Lamiaceae
Chrysanthemum x morifolium	Chrysanthemum	Asteraceae
Pyrus ussuriensis	Pyrus	Rosaceae
Maytenus aquifolium	Maytenus	Celastraceae
Valeriana wolgensis	Valeriana	Caprifoliaceae
Cyanostegia microphylla	Cyanostegia	Lamiaceae
Maytenus cuzcoina	Maytenus	Celastraceae
Ranunculus sceleratus	Ranunculus	Ranunculaceae
Euphorbia leuconeura	Euphorbia	Euphorbiaceae
Isocoma pluriflora	Isocoma	Asteraceae

Ingredient ID: NPC141765
Formula: C22H26O8

Common Name	Syringaresinol
IUPAC Name	4-[(3S,3aR,6S,6aR)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol
Canonical SMILES	COc1cc(cc(c1O)OC)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(c(c1)OC)O
Standard InCHI	InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1
Standard InCHIKey	KOWMJRJXZMEZLD-HCIHMXRSSA-N
Ingredient External Links	PubChem CID: 443023 ZINC ID: ZINC000004098933 ChEMBL ID: CHEMBL361362
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC141765]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Plectranthus nummularius	Plectranthus	Lamiaceae
Cistanche deserticola	Cistanche	Orobanchaceae
Machilus odoratissima	Machilus	Lauraceae
Epimedium sagittatum	Epimedium	Berberidaceae
Baccharis grandicapitulata	Baccharis	Asteraceae
Lepidium apetalum	Lepidium	Brassicaceae
Sideritis perfoliata	Sideritis	Lamiaceae
Entada polystachya	Entada	Fabaceae
Renealmia alpinia	Renealmia	Zingiberaceae
Elymus repens	Elymus	Poaceae
Gynochthodes parvifolia	Gynochthodes	Rubiaceae
Arachniodes mutica	Arachniodes	Dryopteridaceae
Entada africana	Entada	Fabaceae
Morella pensylvanica	Morella	Myricaceae
Iberis sempervirens	Iberis	Brassicaceae
Magnolia obovata	Magnolia	Magnoliaceae
Eleutherococcus senticosus	Eleutherococcus	Araliaceae
Dendrobium chrysanthum	Dendrobium	Orchidaceae
Delphinium giraldii	Delphinium	Ranunculaceae
Ipomoea purpurea	Ipomoea	Convolvulaceae
Jasione montana	Jasione	Campanulaceae
Albizia julibrissin	Albizia	Fabaceae
Stellaria media	Stellaria	Caryophyllaceae
Daphne feddei	Daphne	Thymelaeaceae
Descurainia sophia	Descurainia	Brassicaceae
Psiadia anchusifolia	Psiadia	Asteraceae
Stephania tetrandra	Stephania	Menispermaceae
Curcuma aeruginosa	Curcuma	Zingiberaceae
Pleione yunnanensis	Pleione	Orchidaceae
Corydalis conspersa	Corydalis	Papaveraceae
Sinomenium acutum	Sinomenium	Menispermaceae
Piper brachystachyum	Piper	Piperaceae
Arcangelisia gusanlung	Arcangelisia	Menispermaceae
Schumanniophyton magnificum	Schumanniophyton	Rubiaceae
Epimedium sempervirens	Epimedium	Berberidaceae
Acacia pachyphloia	Acacia	Fabaceae
Tephroseris kirilowii	Tephroseris	Asteraceae
Fumaria indica	Fumaria	Papaveraceae
Dioscorea gracillima	Dioscorea	Dioscoreaceae
Dioscorea nipponica	Dioscorea	Dioscoreaceae
Aquilaria sinensis	Aquilaria	Thymelaeaceae
Vitex limonifolia	Vitex	Lamiaceae
Magnolia denudata	Magnolia	Magnoliaceae
Senecio congestus	Senecio	Asteraceae
Eichhornia crassipes	Eichhornia	Pontederiaceae
Sideritis grandiflora	Sideritis	Lamiaceae
Ailanthus altissima	Ailanthus	Simaroubaceae
Echium rubrum	Echium	Boraginaceae
Ligustrum ovalifolium	Ligustrum	Oleaceae
Mikania luetzelburgii	Mikania	Asteraceae
Papaver pseudocanescens	Papaver	Papaveraceae
Sideritis dasygnaphala	Sideritis	Lamiaceae
Centipeda cunninghami	Centipeda	Asteraceae
Epimedium pubescens	Epimedium	Berberidaceae
Gutierrezia dracunculoides	Gutierrezia	Asteraceae
Ipomoea nil	Ipomoea	Convolvulaceae
Psidium acutangulum	Psidium	Myrtaceae
Beesia calthifolia	Beesia	Ranunculaceae
Sambucus williamsii	Sambucus	Adoxaceae
Bursera kerberi	Bursera	Burseraceae
Pleione bulbocodioides	Pleione	Orchidaceae
Cremastra appendiculata	Cremastra	Orchidaceae
Helenium integrifolium	Helenium	Asteraceae
Rhododendron mucronulatum	Rhododendron	Ericaceae
Euonymus fortunei	Euonymus	Celastraceae
Phlomis crinita	Phlomis	Lamiaceae
Crotalaria stolzii	Crotalaria	Fabaceae
Selinum libanotis	Selinum	Apiaceae
Capparis flavicans	Capparis	Capparaceae
Melampodium leucanthum	Melampodium	Asteraceae
Clerodendrum trichotomum	Clerodendrum	Lamiaceae
Juniperus scopulorum	Juniperus	Cupressaceae
Clinacanthus nutans	Clinacanthus	Acanthaceae
Alstonia angustiloba	Alstonia	Apocynaceae
Lasianthaea podocephala	Lasianthaea	Asteraceae
Eucalyptus albens	Eucalyptus	Myrtaceae
Epimedium grandiflorum	Epimedium	Berberidaceae
Annona cherimola	Annona	Annonaceae
Pellacalyx axillaris	Pellacalyx	Rhizophoraceae
Lavandula dentata	Lavandula	Lamiaceae
Boschniakia rossica	Boschniakia	Orobanchaceae
Chrysanthemum x morifolium	Chrysanthemum	Asteraceae
Flueggea microcarpa	Flueggea	Phyllanthaceae
Ancistrocladus korupensis	Ancistrocladus	Ancistrocladaceae
Dendrobium chrysotoxum	Dendrobium	Orchidaceae
Punica granatum	Punica	Lythraceae
Pyrus ussuriensis	Pyrus	Rosaceae
Hyperbaena columbica	Hyperbaena	Menispermaceae
Lycopus lucidus	Lycopus	Lamiaceae
Dendrobium candidum	Dendrobium	Orchidaceae
Maytenus aquifolium	Maytenus	Celastraceae
Solanum nigrum	Solanum	Solanaceae
Valeriana wolgensis	Valeriana	Caprifoliaceae
Chrysanthemum indicum	Chrysanthemum	Asteraceae
Cyanostegia microphylla	Cyanostegia	Lamiaceae
Maytenus cuzcoina	Maytenus	Celastraceae
Ranunculus sceleratus	Ranunculus	Ranunculaceae
Euphorbia leuconeura	Euphorbia	Euphorbiaceae
Epimedium koreanum	Epimedium	Berberidaceae
Dendrobium fimbriatum	Dendrobium	Orchidaceae
Cinnamomum kotoense	Cinnamomum	Lauraceae
Polygonatum odoratum	Polygonatum	Asparagaceae
Primula integrifolia	Primula	Primulaceae
Coffea liberica var. dewevrei	Coffea	Rubiaceae
Hedysarum multijugum maxim	Hedysarum	Fabaceae
Mycetia nutans	Mycetia	Rubiaceae
Botrychium ternatum	Botrychium	Ophioglossaceae
Saussurea costus	Saussurea	Asteraceae
Viburnum grandifolium	Viburnum	Adoxaceae
Idesia polycarpa	Idesia	Salicaceae
Solanum nigrum linn	Solanum	Solanaceae
Radermachera xylocarpa	Radermachera	Bignoniaceae
Hibiscus syriacus	Hibiscus	Malvaceae
Euonymus alatus	Euonymus	Celastraceae
Lupinus cosentinii	Lupinus	Fabaceae
solanum violaceum	Solanum	Solanaceae
Pittosporum brevicalyx	Pittosporum	Pittosporaceae
byrsonima coccolobifolia	Byrsonima	Malpighiaceae
Anemone narcissiflora	Anemone	Ranunculaceae
Dendrobium nobile	Dendrobium	Orchidaceae
Machilus zuihoensis	Machilus	Lauraceae
Morinda citrifolia	Morinda	Rubiaceae
Magnolia officinalis	Magnolia	Magnoliaceae
Isatis tinctoria	Isatis	Brassicaceae
Ungernia victoris	Ungernia	Amaryllidaceae
Hedysarum gmelini	Hedysarum	Fabaceae
Epimedium brevicornu	Epimedium	Berberidaceae
Mespilus germanica	Mespilus	Rosaceae
Euploca racemosa	Euploca	Heliotropiaceae
Zanthoxylum chiloperone	Zanthoxylum	Rutaceae
Glinus oppositifolius	Glinus	Molluginaceae
Solanum euacanthum	Solanum	Solanaceae
Roemeria carica	Roemeria	Papaveraceae
Hedysarum polybotrys	Hedysarum	Fabaceae
Jurinea maxima	Jurinea	Asteraceae
Cistanche tubulosa	Cistanche	Orobanchaceae
Pilocarpus grandiflorus	Pilocarpus	Rutaceae
Pteris setuloso-costulata	Pteris	Pteridaceae
Gentiana strictiflora	Gentiana	Gentianaceae
Dendrobium loddigesii	Dendrobium	Orchidaceae
Epimedium wushanense	Epimedium	Berberidaceae
Asclepias curassavica	Asclepias	Apocynaceae
Pseuduvaria indochinensis	Pseuduvaria	Annonaceae
Morus mongolica	Morus	Moraceae
Zanthoxylum nitidum	Zanthoxylum	Rutaceae
Artemisia pectinata	Artemisia	Asteraceae
Daphne genkwa	Daphne	Thymelaeaceae
Monomeria barbata	Monomeria	Orchidaceae
Isocoma pluriflora	Isocoma	Asteraceae
Zephyranthes flava	Zephyranthes	Amaryllidaceae

Ingredient ID: NPC13237
Formula: C34H43NO16

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CC(=O)OC[C@]12[C@@H](OC(=O)C)[C@@H](O)[C@H]3[C@]([C@@]42O[C@@]([C@H]([C@@H]([C@H]1OC(=O)C)O)[C@H]4OC(=O)C)(C)COC(=O)c1c([C@H]([C@@H](C(=O)O3)C)C)nccc1)(C)O
Standard InCHI	InChI=1S/C34H43NO16/c1-14-15(2)29(42)50-26-24(41)28(49-19(6)39)33(13-45-16(3)36)27(48-18(5)38)23(40)21-25(47-17(4)37)34(33,32(26,8)44)51-31(21,7)12-46-30(43)20-10-9-11-35-22(14)20/h9-11,14-15,21,23-28,40-41,44H,12-13H2,1-8H3/t14-,15-,21+,23-,24-,25+,26-,27+,28-,31-,32-,33+,34-/m0/s1
Standard InCHIKey	SHDBRMQJPSDFRT-KMPJZEJPSA-N
Ingredient External Links	PubChem CID: 102317474
Plant-Ingredient Association Reference	Database: UNPD [UNPD65131]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Elymus repens	Elymus	Poaceae
Acacia pachyphloia	Acacia	Fabaceae
Centipeda cunninghami	Centipeda	Asteraceae
Lavandula dentata	Lavandula	Lamiaceae
Chrysanthemum x morifolium	Chrysanthemum	Asteraceae
Pyrus ussuriensis	Pyrus	Rosaceae
Maytenus aquifolium	Maytenus	Celastraceae
Valeriana wolgensis	Valeriana	Caprifoliaceae
Cyanostegia microphylla	Cyanostegia	Lamiaceae
Maytenus cuzcoina	Maytenus	Celastraceae
Ranunculus sceleratus	Ranunculus	Ranunculaceae
Euphorbia leuconeura	Euphorbia	Euphorbiaceae
Isocoma pluriflora	Isocoma	Asteraceae

Ingredient ID: NPC122467
Formula: C33H40O20

Common Name	n.a.
IUPAC Name	2-(3,4-dihydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxychromen-4-one
Canonical SMILES	Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)c1ccc(c(c1)O)O
Standard InCHI	InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(48-9)47-8-17-21(40)25(44)30(53-32-27(46)24(43)20(39)10(2)49-32)33(51-17)52-29-22(41)18-15(37)6-12(34)7-16(18)50-28(29)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,21-,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1
Standard InCHIKey	HKNBJSRIYRDSLB-MIORVHIISA-N
Ingredient External Links	PubChem CID: 11828754 ZINC ID: ZINC000095614874
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC122467]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Elymus repens	Elymus	Poaceae
Acacia pachyphloia	Acacia	Fabaceae
Centipeda cunninghami	Centipeda	Asteraceae
Lavandula dentata	Lavandula	Lamiaceae
Chrysanthemum x morifolium	Chrysanthemum	Asteraceae
Pyrus ussuriensis	Pyrus	Rosaceae
Hyperbaena columbica	Hyperbaena	Menispermaceae
Maytenus aquifolium	Maytenus	Celastraceae
Valeriana wolgensis	Valeriana	Caprifoliaceae
Cyanostegia microphylla	Cyanostegia	Lamiaceae
Maytenus cuzcoina	Maytenus	Celastraceae
Ranunculus sceleratus	Ranunculus	Ranunculaceae
Euphorbia leuconeura	Euphorbia	Euphorbiaceae
Viburnum grandifolium	Viburnum	Adoxaceae
Prunus mume	Prunus	Rosaceae
Anemone narcissiflora	Anemone	Ranunculaceae
Asclepias curassavica	Asclepias	Apocynaceae
Isocoma pluriflora	Isocoma	Asteraceae

Ingredient ID: NPC12013
Formula: C33H40O19

Common Name	n.a.
IUPAC Name	3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Canonical SMILES	Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O
Standard InCHI	InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)46-9-17-21(39)25(43)30(52-32-27(45)24(42)20(38)11(2)48-32)33(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21-,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1
Standard InCHIKey	WRXVPTMENPZUIZ-MOVIZTNPSA-N
Ingredient External Links	PubChem CID: 10919701 ZINC ID: ZINC000255277987
Plant-Ingredient Association Reference	Database: UNPD [] Database: NPASS [NPC12013]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Abies pinsapo var. marocana	Abies	Pinaceae
Elymus repens	Elymus	Poaceae
Acacia pachyphloia	Acacia	Fabaceae
Euphrasia genargentea	Euphrasia	Orobanchaceae
Xanthorhiza simplicissima	Xanthorhiza	Ranunculaceae
Centipeda cunninghami	Centipeda	Asteraceae
Lavandula dentata	Lavandula	Lamiaceae
Chrysanthemum x morifolium	Chrysanthemum	Asteraceae
Dactylorhiza viridis	Dactylorhiza	Orchidaceae
Pyrus ussuriensis	Pyrus	Rosaceae
Pterolobium hexapetalum	Pterolobium	Fabaceae
Maytenus aquifolium	Maytenus	Celastraceae
Valeriana wolgensis	Valeriana	Caprifoliaceae
Cyanostegia microphylla	Cyanostegia	Lamiaceae
Maytenus cuzcoina	Maytenus	Celastraceae
Ranunculus sceleratus	Ranunculus	Ranunculaceae
Euphorbia leuconeura	Euphorbia	Euphorbiaceae
Diplopterygium glaucum	Diplopterygium	Gleicheniaceae
Maytenus chuchuhuasha	Maytenus	Celastraceae
Idesia polycarpa	Idesia	Salicaceae
Oxytropis falcata	Oxytropis	Fabaceae
Hibiscus syriacus	Hibiscus	Malvaceae
Angelica acutiloba	Angelica	Apiaceae
Solanum lanceolatum	Solanum	Solanaceae
Bryonia alba	Bryonia	Cucurbitaceae
Viburnum erubescens	Viburnum	Adoxaceae
Remirea maritima	Remirea	Cyperaceae
Arnica mollis	Arnica	Asteraceae
Croton gratissimus	Croton	Euphorbiaceae
Wikstroemia viridiflora	Wikstroemia	Thymelaeaceae
Brassica carinata	Brassica	Brassicaceae
Ranunculus asiaticus	Ranunculus	Ranunculaceae
Eurycoma harmandiana	Eurycoma	Simaroubaceae
Eucalyptus resinifera	Eucalyptus	Myrtaceae
Sinapis alba	Sinapis	Brassicaceae
Carpha glomerata	Carpha	Cyperaceae
Cyanostegia angustifolia	Cyanostegia	Lamiaceae
Orthosiphon spicatus	Orthosiphon	Lamiaceae
Lysimachia fordiana	Lysimachia	Primulaceae
Ampelocera edentula	Ampelocera	Ulmaceae
Ixeris debilis	Ixeris	Asteraceae
Isocoma pluriflora	Isocoma	Asteraceae
Abies excelsa	Abies	Pinaceae

Ingredient ID: NPC110939
Formula: C39H50O24

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](O[C@H]([C@H]([C@H]3O)O)CO[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)Oc3c(oc4c(c3=O)c(O)cc(c4)O)c3ccc(cc3)O)O[C@@H]([C@H]2O)C)[C@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C39H50O24/c1-11-21(44)26(49)29(52)36(56-11)55-10-19-24(47)28(51)35(63-38-31(54)33(22(45)12(2)57-38)61-37-30(53)27(50)23(46)18(9-40)59-37)39(60-19)62-34-25(48)20-16(43)7-15(42)8-17(20)58-32(34)13-3-5-14(41)6-4-13/h3-8,11-12,18-19,21-24,26-31,33,35-47,49-54H,9-10H2,1-2H3/t11-,12+,18-,19-,21-,22+,23-,24+,26+,27+,28+,29+,30-,31-,33-,35-,36+,37+,38+,39+/m0/s1
Standard InCHIKey	WGIYIIVVCUJTAO-CJLUPAMMSA-N
Ingredient External Links
Plant-Ingredient Association Reference	Database: UNPD [UNPD116938]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Elymus repens	Elymus	Poaceae
Acacia pachyphloia	Acacia	Fabaceae
Centipeda cunninghami	Centipeda	Asteraceae
Lavandula dentata	Lavandula	Lamiaceae
Chrysanthemum x morifolium	Chrysanthemum	Asteraceae
Pyrus ussuriensis	Pyrus	Rosaceae
Maytenus aquifolium	Maytenus	Celastraceae
Valeriana wolgensis	Valeriana	Caprifoliaceae
Cyanostegia microphylla	Cyanostegia	Lamiaceae
Maytenus cuzcoina	Maytenus	Celastraceae
Ranunculus sceleratus	Ranunculus	Ranunculaceae
Euphorbia leuconeura	Euphorbia	Euphorbiaceae
Isocoma pluriflora	Isocoma	Asteraceae

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
NPC110939	C39H50O24		902.2692025	-8.6725	3.11	-3.454	20	14	383.36	11	7	63	3
NPC12013	C33H40O19		740.2163791	-6.9256	3	-1.488	15	11	304.21	21	6	52	2
NPC122467	C33H40O20		756.2112937	-7.3859	2.89	-2.022	15	12	324.44	22	6	53	2
NPC13237	C34H43NO16		721.2581843	-2.5446	3.33	0.405	17	3	240.61	9	5	51	1
NPC141765	C22H26O8	Syringaresinol	418.16	-2.1258	3	0.796	2	2	95.84	12	4	30	0
NPC144595	C37H66O7		622.4808545	-6.783	4.76	9.495	7	4	116.45	27	2	44	2
NPC157764	C35H64O7		596.4652044	-8.338	4.54	8.873	7	4	116.45	26	2	42	2
NPC171145	C37H66O7		622.4808545	-8.3702	4.76	9.577	7	3	105.45	25	3	44	2
NPC174167	C30H40O4	Pristimerin	464.29	2.7341	4.32	8.301	4	1	63.6	10	5	34	1
NPC178140	C39H50O24	3-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one	902.2692025	-8.6725	3.11	-3.454	20	14	383.36	11	7	63	3
NPC220825	C15H14O7	Epigallocatechin	306.07	-2.9543	2.34	-0.128	1	6	130.61	7	3	22	1
NPC248235	C27H30O15	3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one	594.1584703	-5.6787	2.78	-0.654	11	9	245.29	6	5	42	2
NPC255039	C36H45NO17		763.268749	-2.1655	3.44	1.145	18	2	246.68	11	5	54	2
NPC278399	C39H50O25		918.2641171	-9.1328	3	-3.988	20	15	403.59	11	7	64	3
NPC287063	C28H36O3	Tingenone	420.27	2.1329	4.21	7.159	3	1	54.37	7	5	31	1
NPC292419	C30H52O		428.4018163	2.4864	4.65	13.026	1	1	20.23	9	5	31	1
NPC293979	C42H48N2O18		868.2902127	-1.7963	3.88	2.602	20	1	265.64	14	6	62	2
NPC306375	C38H48O23		872.2586378	-8.1618	3.11	-3.211	19	13	363.13	10	7	61	2
NPC307063	C30H50O	Friedeline	426.39	3.2175	4.65	12.613	1	0	17.07	8	5	31	1
NPC87152	C43H49NO18		867.29	-1.7963	4.1	4.631	19	1	252.75	24	6	62	2

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