input word = C00006328

Metabolite InformationStructural formula
Name 6-C-Glucopyranosylprocyanidin B1
Formula C36H36O17
Mw 740.19524973
CAS RN 105371-29-7
C_ID C00006328 ,
InChIKey VRCSTDIDMJHJBX-PSFRSNFANA-N
InChICode InChI=1S/C36H36O17/c37-10-23-28(46)31(49)32(50)36(52-23)25-20(44)9-22-26(29(25)47)27(30(48)34(51-22)12-2-4-15(39)18(42)6-12)24-19(43)8-16(40)13-7-21(45)33(53-35(13)24)11-1-3-14(38)17(41)5-11/h1-6,8-9,21,23,27-28,30-34,36-50H,7,10H2/t21-,23+,27-,28-,30-,31+,32-,33-,34-,36+/m1/s1
SMILES c1(c(c(c2c(c1)O[C@@H]([C@@H]([C@@H]2c1c(cc(c2c1O[C@@H]([C@@H](C2)O)c1cc(c(cc1)O)O)O)O)O)c1cc(c(cc1)O)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRheum sp. Ref.
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