input word = C00009173

Metabolite InformationStructural formula
Name Dolabriproanthocyanidin
Formula C45H38O18
Mw 866.20581441
CAS RN 61671-55-4
C_ID C00009173 ,
InChIKey RKJVANRASYOWEX-RKRBKQGENA-N
InChICode InChI=1S/C45H38O18/c46-18-2-3-19-32(12-18)61-42(16-8-27(52)37(57)28(53)9-16)39(59)33(19)35-23(48)6-4-20-34(40(60)43(63-44(20)35)17-10-29(54)38(58)30(55)11-17)36-26(51)14-24(49)21-13-31(56)41(62-45(21)36)15-1-5-22(47)25(50)7-15/h1-12,14,31,33-34,39-43,46-60H,13H2/t31-,33-,34+,39-,40+,41-,42-,43-/m1/s1
SMILES Oc1ccc2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)ccc2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(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
PlantaeFabaceaeXylia dolabriformis Ref.
PlantaeFabaceaeXylia xylocarpa Ref.
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OrganismXylia dolabriformis
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Kumar,Indian J.Chem.Sect.B.,14,(1976),654