input word = C00009206

Metabolite InformationStructural formula
Name 3-O-Galloylepicatechin-(4beta->6)-catechin
Formula C37H30O16
Mw 730.15338491
CAS RN 106533-59-9
C_ID C00009206 ,
InChIKey TVPXEVSMCUYBHB-NIUYVGKANA-N
InChICode InChI=1S/C37H30O16/c38-16-9-22(43)29-28(10-16)52-35(14-2-4-19(40)21(42)6-14)36(53-37(50)15-7-24(45)33(49)25(46)8-15)31(29)30-23(44)12-27-17(32(30)48)11-26(47)34(51-27)13-1-3-18(39)20(41)5-13/h1-10,12,26,31,34-36,38-49H,11H2/t26-,31+,34-,35+,36+/m0/s1
SMILES C1[C@@H]([C@@H](Oc2c1c(c(c(c2)O)[C@@H]1[C@H]([C@H](Oc2c1c(cc(c2)O)O)c1ccc(c(c1)O)O)OC(=O)c1cc(c(c(c1)O)O)O)O)c1ccc(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRheum sp. Ref.
PlantaeVitaceaeVitis vinifera Ref.
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