input word = C00009075

Metabolite InformationStructural formula
Name Procyanidin B1
Epicatechin-(4beta->8)-catechin
Formula C30H26O12
Mw 578.1424263
CAS RN 20315-25-7
C_ID C00009075 ,
InChIKey XFZJEEAOWLFHDH-QYWHNURQNA-N
InChICode InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1
SMILES c12c([C@@H]([C@H]([C@H](O1)c1ccc(c(c1)O)O)O)c1c3c(C[C@H]([C@H](O3)c3ccc(c(c3)O)O)O)c(cc1O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBetulaceaeBetula pubescens Ref.
PlantaeCistaceaeCistus incanus Ref.
PlantaeCupressaceaeThujopsis dolobrata Ref.
PlantaeDioscoreaceaeDioscorea alata Ref.
PlantaeDioscoreaceaeDioscorea bulbifera Ref.
PlantaeEricaceaePyrola incarnata Ref.
PlantaeEricaceaeVaccinium vitis-idaea Ref.
PlantaeFabaceaeCampylotropis hirella Ref.
PlantaeFabaceaeVicia faba Ref.
PlantaeFabaceaeVigna angularis Ref.
PlantaeFagaceaeQuercus miyagii Ref.
PlantaeLauraceaeCinnamomum camphora Ref.
PlantaeLauraceaeCinnamomum cassia Blume. Ref.
PlantaeLauraceaeCinnamomum cirrhosa Ref.
PlantaeLauraceaeCinnamomum spp. Ref.
PlantaeLauraceaePersea gratissima Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeMalvaceaeGuazuma ulmifolia Ref.
PlantaeMalvaceaeTheobroma cacao Ref.
PlantaeOxalidaceaeAverrhoa carambola L. Ref.
PlantaePalmaeAreca catechu Ref.
PlantaePinaceaeLarix gmelini Ref.
PlantaePolygonaceaeRheum sp. Ref.
PlantaeRosaceaeColeogyne ramosissima Torr. Ref.
PlantaeRosaceaeCrataegus monogyna Ref.
PlantaeRosaceaeCrataegus spp. Ref.
PlantaeRosaceaeFragaria vesca Ref.
PlantaeRosaceaeMalus spp. Ref.
PlantaeRosaceaePyrus spp. Ref.
PlantaeRosaceaeRubus spp. Ref.
PlantaeRubiaceaeUncaria gambir Ref.
PlantaeRubiaceaeUncaria sinensis Ref.
PlantaeSapindaceaeAesculus hippocastanum Ref.
PlantaeSapotaceaeSideroxylon inerme L. Ref.
PlantaeVitaceaeVitis vinifera Ref.
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