input word = C00002807

Metabolite InformationStructural formula
Name Chrysophanol 8-glucoside
Formula C21H20O9
Mw 416.11073224
CAS RN 13241-28-6
C_ID C00002807 ,
InChIKey WMMOMSNMMDMSRB-DQOJFYRWNA-N
InChICode InChI=1S/C21H20O9/c1-8-5-10-14(11(23)6-8)18(26)15-9(16(10)24)3-2-4-12(15)29-21-20(28)19(27)17(25)13(7-22)30-21/h2-6,13,17,19-23,25,27-28H,7H2,1H3/t13-,17-,19+,20-,21-/m1/s1
SMILES c1ccc2c(c1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)c1c(C2=O)cc(cc1O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRheum moorcroftianum Ref.
PlantaePolygonaceaeRumex spp. Ref.
--Rheum Ref.
--Woodifordia fruticosa Ref.
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