input word = C00037690

Metabolite InformationStructural formula
Name Procyanidin B5 3'-O-gallate
(+)-Procyanidin B5 3'-O-gallate
Formula C37H30O16
Mw 730.15338491
CAS RN 249287-43-2
C_ID C00037690 ,
InChIKey DWTOBCBYINHWCP-DWCYWYGBNA-N
InChICode InChI=1S/C37H30O16/c38-16-9-22(43)29-27(10-16)52-36(14-2-4-19(40)21(42)6-14)34(49)31(29)30-23(44)12-26-17(32(30)47)11-28(35(51-26)13-1-3-18(39)20(41)5-13)53-37(50)15-7-24(45)33(48)25(46)8-15/h1-10,12,28,31,34-36,38-49H,11H2/t28-,31+,34+,35-,36+/m0/s1
SMILES c12c(cc(c(c1O)[C@@H]1[C@H]([C@H](Oc3c1c(cc(c3)O)O)c1ccc(c(c1)O)O)O)O)O[C@H]([C@H](C2)OC(=O)c1cc(c(c(c1)O)O)O)c1ccc(c(c1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis amurensis Ref.
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