input word = C00009071

Metabolite InformationStructural formula
Name Procyanidin B3
Catechin-(4alpha->8)-catechin
Formula C30H26O12
Mw 578.1424263
CAS RN 23567-23-9
C_ID C00009071 ,
InChIKey XFZJEEAOWLFHDH-KJNMLZBZNA-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+/m0/s1
SMILES Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBetulaceaeBetula pubescens Ref.
PlantaeDioscoreaceaeDioscorea alata Ref.
PlantaeEricaceaeCalluna vulgaris Ref.
PlantaeEricaceaePyrola incarnata Ref.
PlantaeEricaceaeVaccinium vitis-idaea Ref.
PlantaeFabaceaeArachis hypogaea Ref.
PlantaeFabaceaeVicia faba Ref.
PlantaeFagaceaeQuercus miyagii Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaePalmaeAreca catechu Ref.
PlantaePinaceaeLarix gmelini Ref.
PlantaePinaceaePicea abies Ref.
PlantaeRosaceaeColeogyne ramosissima Torr. Ref.
PlantaeRosaceaeFragaria spp. Ref.
PlantaeRosaceaePotentilla viscosa Ref.
PlantaeRosaceaeRosa cymosa Ref.
PlantaeRosaceaeRosa henryi Ref.
PlantaeRosaceaeRosa laevigata Ref.
PlantaeRosaceaeRubus spp. Ref.
PlantaeRubiaceaeUncaria gambir Ref.
PlantaeSalicaceaePopulus canescens Ref.
PlantaeSalicaceaeSalix caprea Ref.
PlantaeSalicaceaeSalix daphnoides Ref.
PlantaeSapindaceaeAesculus hippocastanum Ref.
PlantaeSaxifragaceaeBergenia purpurascens Ref.
PlantaeTheaceaeCamellia japonica Ref.
PlantaeTheaceaeCamellia sinensis var.assamica Ref.
PlantaeVitaceaeVitis vinifera Ref.
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OrganismDioscorea alata
Referencehttps://doi.org/10.1016/S0031-9422(00)80327-1