input word = C00009201

Metabolite InformationStructural formula
Name 7-O-beta-D-Glucopyranosylcatechin-(4alpha->8)-catechin
Formula C36H36O17
Mw 740.19524973
CAS RN 105330-57-2
C_ID C00009201 ,
InChIKey JQKHCULJNVYRGT-AAWRZKAMNA-N
InChICode InChI=1S/C36H36O17/c37-11-25-29(46)31(48)32(49)36(52-25)50-14-7-21(43)26-24(8-14)51-34(13-2-4-17(39)20(42)6-13)30(47)28(26)27-22(44)10-18(40)15-9-23(45)33(53-35(15)27)12-1-3-16(38)19(41)5-12/h1-8,10,23,25,28-34,36-49H,9,11H2/t23-,25+,28-,29-,30-,31-,32+,33-,34+,36+/m0/s1
SMILES c12c(C[C@@H]([C@@H](O1)c1ccc(c(c1)O)O)O)c(cc(c2[C@@H]1c2c(O[C@@H]([C@H]1O)c1ccc(c(c1)O)O)cc(cc2O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRheum sp. Ref.
PlantaePolygonaceaeRheum spp. Ref.
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