input word = C00009313

Metabolite InformationStructural formula
Name 3-O-L-Arabinopyranosyl-ent-epicatechin-(2alpha->7,4alpha->8)-epicatechin
Formula C35H32O16
Mw 708.16903498
CAS RN 135077-25-7
C_ID C00009313 ,
InChIKey SFVJFSIQKBXNPZ-NVYHAPQVNA-N
InChICode InChI=1S/C35H32O16/c36-14-7-21(42)26-24(8-14)50-35(13-2-4-17(38)20(41)6-13)33(49-34-30(46)29(45)23(44)11-47-34)28(26)27-25(51-35)10-18(39)15-9-22(43)31(48-32(15)27)12-1-3-16(37)19(40)5-12/h1-8,10,22-23,28-31,33-34,36-46H,9,11H2/t22-,23+,28-,29+,30+,31-,33-,34-,35+/m0/s1
SMILES c1c(cc(c2c1O[C@]1([C@H]([C@@H]2c2c(O1)cc(c1c2O[C@H]([C@H](C1)O)c1cc(c(cc1)O)O)O)O[C@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeTheobroma cacao Ref.
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