input word = C00060679

Metabolite InformationStructural formula
Name (-)-Epigallocatechin 3-O-gallate-(4beta-8)-(-)-epicatechin
Formula C37H30O17
Mw 746.14829954
CAS RN 201357-23-5
C_ID C00060679
InChIKey ASOODBVVZLZXTM-ZQOGFOTDSA-N
InChICode InChI=1S/C37H30O17/c38-15-8-20(42)28-27(9-15)52-34(13-4-22(44)31(49)23(45)5-13)36(54-37(51)14-6-24(46)32(50)25(47)7-14)30(28)29-21(43)11-18(40)16-10-26(48)33(53-35(16)29)12-1-2-17(39)19(41)3-12/h1-9,11,26,30,33-34,36,38-50H,10H2/t26-,30-,33-,34-,36-/m1/s1
SMILES O=C(OC1C(c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(O)c2C1c1c(O)cc(O)c2c1OC(c1ccc(O)c(O)c1)C(O)C2)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeRhododendron sp. Ref.
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OrganismRhododendron sp.
Referencehttps://doi.org/10.1002/jms.2954