input word = C00009234

Metabolite InformationStructural formula
Name Epigallocatechin-(4beta->6)-epigallocatechin-3-O-gallate
Formula C37H30O18
Mw 762.14321416
CAS RN 159390-95-1
C_ID C00009234 ,
InChIKey MTYOYAYKYNGNKH-QTENRKJYNA-N
InChICode InChI=1S/C37H30O18/c38-14-7-16(39)27-25(8-14)54-36(12-3-20(43)32(49)21(44)4-12)34(51)29(27)28-17(40)10-24-15(30(28)47)9-26(35(53-24)11-1-18(41)31(48)19(42)2-11)55-37(52)13-5-22(45)33(50)23(46)6-13/h1-8,10,26,29,34-36,38-51H,9H2/t26-,29+,34+,35-,36-/m0/s1
SMILES c1c(c(c(c2c1O[C@H]([C@H](C2)OC(=O)c1cc(c(c(c1)O)O)O)c1cc(c(c(c1)O)O)O)O)[C@@H]1[C@H]([C@H](c2cc(c(c(c2)O)O)O)Oc2c1c(cc(c2)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCistaceaeCistus salviifolius Ref.
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