input word = C00009209

Metabolite InformationStructural formula
Name 3-O-Galloylcatechin-(4alpha->8)-catechin
Formula C37H30O16
Mw 730.15338491
CAS RN 86631-41-6
C_ID C00009209 ,
InChIKey BXWABJPTCUDBMM-PGHHOFSNNA-N
InChICode InChI=1S/C37H30O16/c38-16-9-23(44)29-28(10-16)51-34(14-2-4-19(40)22(43)6-14)36(53-37(50)15-7-25(46)32(49)26(47)8-15)31(29)30-24(45)12-20(41)17-11-27(48)33(52-35(17)30)13-1-3-18(39)21(42)5-13/h1-10,12,27,31,33-34,36,38-49H,11H2/t27-,31-,33-,34+,36-/m0/s1
SMILES [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)c1c(cc(c2c1O[C@H]([C@H](C2)O)c1cc(c(cc1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeRosa cymosa Ref.
PlantaeRosaceaeSanguisorba officinalis Ref.
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