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 OCC1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)c(O)c2)[C@@H](O)[C@@H]3c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRheum sp. Ref.
PlantaePolygonaceaeRheum spp. Ref.
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OrganismRheum spp.
ReferenceWeinges,K.et al.,Annalen,711,(1968),184-204