input word = C00009245

Metabolite InformationStructural formula
Name Gallocatechin-(4alpha->8)-epigallocatechin-3-O-(4-hydroxybenzoate)
Formula C37H30O16
Mw 730.15338491
CAS RN 173655-43-1
C_ID C00009245 ,
InChIKey XUIVIAOQUSGRBT-UAPJZYDZNA-N
InChICode InChI=1S/C37H30O16/c38-16-3-1-13(2-4-16)37(50)52-27-11-18-19(40)12-21(42)29(36(18)53-34(27)14-5-22(43)31(47)23(44)6-14)30-28-20(41)9-17(39)10-26(28)51-35(33(30)49)15-7-24(45)32(48)25(46)8-15/h1-10,12,27,30,33-35,38-49H,11H2/t27-,30+,33+,34-,35-/m1/s1
SMILES c1(c(cc(c2c1O[C@@H]([C@@H](C2)OC(=O)c1ccc(cc1)O)c1cc(c(c(c1)O)O)O)O)O)[C@@H]1c2c(cc(cc2O[C@@H]([C@H]1O)c1cc(c(c(c1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeStryphnodendron adstringens Ref.
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