input word = C00009233

Metabolite InformationStructural formula
Name 3-O-Galloylepigallocatechin-(4beta->6)-gallocatechin
Formula C37H30O18
Mw 762.14321416
CAS RN 152100-00-0
C_ID C00009233 ,
InChIKey VOIYWKAISPUYLM-VRTRNGRGNA-N
InChICode InChI=1S/C37H30O18/c38-14-7-16(39)27-26(8-14)54-35(12-3-20(43)32(50)21(44)4-12)36(55-37(52)13-5-22(45)33(51)23(46)6-13)29(27)28-17(40)10-25-15(30(28)48)9-24(47)34(53-25)11-1-18(41)31(49)19(42)2-11/h1-8,10,24,29,34-36,38-51H,9H2/t24-,29+,34-,35-,36+/m0/s1
SMILES O=C(O[C@H]1C(c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(O)c2[C@@H]1c1c(O)cc2c(c1O)C[C@H](O)[C@@H](c1cc(O)c(O)c(O)c1)O2)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCistaceaeCistus incanus Ref.
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