input word = C00005798

Metabolite InformationStructural formula
Name Gomphrenol 3-glucoside
Formula C22H20O12
Mw 476.09547611
CAS RN 121068-97-1
C_ID C00005798 ,
InChIKey PEBSHTGUNSXVEZ-XXGUDYNLNA-N
InChICode InChI=1S/C22H20O12/c23-6-12-14(25)17(28)18(29)22(33-12)34-21-16(27)13-10(5-11-20(15(13)26)31-7-30-11)32-19(21)8-1-3-9(24)4-2-8/h1-5,12,14,17-18,22-26,28-29H,6-7H2/t12-,14-,17-,18+,22+/m1/s1
SMILES O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc3c(c(O)c12)OCO3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaePolygonum tinctorum Ref.
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OrganismPolygonum tinctorum
ReferenceHarborne, The Handbook of Natural Flavonoids, 1, (1999), 297.Flavonol O-glycosides

Kohda,Chem.Pharm.Bull.,38,(1990),523

Kohda,Chem.Pharm.Bull.,38,(1990),2687