input word = C00008879

Metabolite InformationStructural formula
Name Catechin 5,4'-di-O-gallate
Formula C29H22O14
Mw 594.10095541
CAS RN
C_ID C00008879 ,
InChIKey VBGYQYGQTICWSM-WRKXNNCUNA-N
InChICode InChI=1S/C29H22O14/c30-14-8-23-15(24(9-14)43-29(40)13-6-19(34)26(38)20(35)7-13)10-21(36)27(41-23)11-1-2-22(16(31)3-11)42-28(39)12-4-17(32)25(37)18(33)5-12/h1-9,21,27,30-38H,10H2/t21-,27+/m0/s1
SMILES O=C(Oc1ccc([C@H]2Oc3cc(O)cc(OC(=O)c4cc(O)c(O)c(O)c4)c3C[C@@H]2O)cc1O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia gerrardii Ref.
PlantaeFabaceaeAcacia nilotica Ref.
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