input word = C00009275

Metabolite InformationStructural formula
Name Proanthocyanidin A7
Formula C30H24O12
Mw 576.12677623
CAS RN 114569-32-3
C_ID C00009275 ,
InChIKey SHYPVJZSIOEHJY-JIZSURFONA-N
InChICode InChI=1S/C30H24O12/c31-13-7-19(36)24-23(8-13)41-30(12-2-4-16(33)18(35)6-12)29(39)26(24)25-20(37)10-22-14(28(25)42-30)9-21(38)27(40-22)11-1-3-15(32)17(34)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27+,29-,30+/m1/s1
SMILES c1c(cc(c2c1O[C@@]1([C@@H]([C@H]2c2c(O1)c1c(cc2O)O[C@H]([C@@H](C1)O)c1cc(c(cc1)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeTheobroma cacao Ref.
PlantaeSapindaceaeAesculus hippocastanum Ref.
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OrganismTheobroma cacao
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Morimot,Chem.Pharm.Bull.,35,(1987),4717

Porter,Phytochem.,30,(1991),1657