input word = C00009243

Metabolite InformationStructural formula
Name Catechin-(4alpha->8)-catechin-3-O-(1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate)
Formula C37H32O15
Mw 716.17412036
CAS RN
C_ID C00009243 ,
InChIKey XANGRKAWQPUDCY-ZUJIKKGANA-N
InChICode InChI=1S/C37H32O15/c38-17-11-24(44)29-26(12-17)50-34(16-5-7-20(40)23(43)10-16)32(47)31(29)30-25(45)14-21(41)18-13-27(51-36(48)37(49)8-2-1-3-28(37)46)33(52-35(18)30)15-4-6-19(39)22(42)9-15/h2,4-12,14,27,31-34,38-45,47,49H,1,3,13H2/t27-,31-,32-,33+,34+,37-/m0/s1
SMILES c1(c(cc(c2c1O[C@@H]([C@H](C2)OC(=O)[C@]1(C(=O)CCC=C1)O)c1ccc(c(c1)O)O)O)O)[C@@H]1c2c(cc(cc2O[C@@H]([C@H]1O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSalicaceaeSalix sieboldiana Ref.
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