input word = C00008878

Metabolite InformationStructural formula
Name Catechin 5,3'-di-O-gallate
Formula C29H22O14
Mw 594.10095541
CAS RN
C_ID C00008878 ,
InChIKey OVHMMCMRYOPGQY-WRKXNNCUNA-N
InChICode InChI=1S/C29H22O14/c30-14-8-22-15(23(9-14)42-28(39)12-3-17(32)25(37)18(33)4-12)10-21(36)27(41-22)11-1-2-16(31)24(7-11)43-29(40)13-5-19(34)26(38)20(35)6-13/h1-9,21,27,30-38H,10H2/t21-,27+/m0/s1
SMILES O=C(Oc1cc([C@H]2Oc3cc(O)cc(OC(=O)c4cc(O)c(O)c(O)c4)c3C[C@@H]2O)ccc1O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia gerrardii Ref.
PlantaeFabaceaeAcacia nilotica Ref.
zoom in



OrganismAcacia nilotica
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Malan,Phytochem.,30,(1990),2737