input word = C00009073

Metabolite InformationStructural formula
Name Procyanidin B8
Catechin-(4alpha->6)-epicatechin
Formula C30H26O12
Mw 578.1424263
CAS RN 12798-60-6
C_ID C00009073 ,
InChIKey GMISZFQPFDAPGI-DXXJTBOENA-N
InChICode InChI=1S/C30H26O12/c31-13-7-19(36)24-23(8-13)42-30(12-2-4-16(33)18(35)6-12)28(40)26(24)25-20(37)10-22-14(27(25)39)9-21(38)29(41-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26,28-40H,9H2/t21-,26-,28+,29-,30-/m1/s1
SMILES c1c(ccc(c1O)O)[C@H]1Oc2c(C[C@H]1O)c(c(c(c2)O)[C@@H]1[C@@H]([C@H](Oc2c1c(cc(c2)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeRhododendron ponticum Ref.
PlantaeEricaceaeVaccinium vitis idaea Ref.
PlantaeEricaceaeVaccinium vitis-idaea Ref.
PlantaeFagaceaeQuercus spp. Ref.
PlantaeRosaceaeRubus fruticosus Ref.
PlantaeRosaceaeRubus idaeus Ref.
PlantaeSalicaceaeSalix spp. Ref.
PlantaeVitaceaeVitis vinifera Ref.
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