input word = C00006329

Metabolite InformationStructural formula
Name 8-C-Glucopyranosylprocyanidin B1
Formula C36H36O17
Mw 740.19524973
CAS RN 105371-28-6
C_ID C00006329 ,
InChIKey JBDZOCOBUGXPJW-MSCBLVTCNA-N
InChICode InChI=1S/C36H36O17/c37-10-23-28(47)30(49)31(50)36(51-23)26-21(45)9-20(44)25-27(29(48)33(53-35(25)26)12-2-4-15(39)18(42)6-12)24-19(43)8-16(40)13-7-22(46)32(52-34(13)24)11-1-3-14(38)17(41)5-11/h1-6,8-9,22-23,27-33,36-50H,7,10H2/t22-,23+,27+,28+,29+,30-,31+,32-,33+,36-/m0/s1
SMILES c1(cc(c2c(c1[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)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)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRheum sp. Ref.
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