input word = C00008891

Metabolite InformationStructural formula
Name Gallocatechin 7,3'-di-O-gallate
Formula C29H22O15
Mw 610.09587004
CAS RN 142784-35-8
C_ID C00008891 ,
InChIKey KOBSSFMETRYISX-WRKXNNCUNA-N
InChICode InChI=1S/C29H22O15/c30-15-7-13(42-28(40)11-2-16(31)24(37)17(32)3-11)8-22-14(15)9-21(36)27(43-22)10-1-20(35)26(39)23(6-10)44-29(41)12-4-18(33)25(38)19(34)5-12/h1-8,21,27,30-39H,9H2/t21-,27+/m0/s1
SMILES O=C(Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c1)[C@@H](O)C2)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pithecolobium lobatum Ref.
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