input word = C00009236

Metabolite InformationStructural formula
Name 3-O-Galloylepigallocatechin-(4beta->8)-gallocatechin
Formula C37H30O18
Mw 762.14321416
CAS RN 152100-01-1
C_ID C00009236 ,
InChIKey NBZYDZSLODGCDT-KAPLMBFMNA-N
InChICode InChI=1S/C37H30O18/c38-14-7-17(40)27-26(8-14)53-34(12-3-21(44)31(50)22(45)4-12)36(55-37(52)13-5-23(46)32(51)24(47)6-13)29(27)28-18(41)10-16(39)15-9-25(48)33(54-35(15)28)11-1-19(42)30(49)20(43)2-11/h1-8,10,25,29,33-34,36,38-51H,9H2/t25-,29+,33-,34+,36+/m0/s1
SMILES c1c(cc(c2c1O[C@@H]([C@@H]([C@H]2c1c(cc(c2c1O[C@H]([C@H](C2)O)c1cc(c(c(c1)O)O)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)c1cc(c(c(c1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCistaceaeCistus incanus Ref.
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