input word = C00008892

Metabolite InformationStructural formula
Name Gallocatechin 7,4'-di-O-gallate
Formula C29H22O15
Mw 610.09587004
CAS RN 142784-36-9
C_ID C00008892 ,
InChIKey DALCFFHLKBFKBK-JVDICVPENA-N
InChICode InChI=1S/C29H22O15/c30-15-7-13(42-28(40)11-3-16(31)24(38)17(32)4-11)8-23-14(15)9-22(37)26(43-23)10-1-20(35)27(21(36)2-10)44-29(41)12-5-18(33)25(39)19(34)6-12/h1-8,22,26,30-39H,9H2/t22-,26+/m0/s1
SMILES c1(cc(c2c(c1)O[C@@H]([C@H](C2)O)c1cc(c(c(c1)O)OC(=O)c1cc(c(c(c1)O)O)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pithecolobium lobatum Ref.
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OrganismPithecolobium lobatum
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Lee,Phytochem.,31,(1992),2117