input word = C00019835

Metabolite InformationStructural formula
Name (-)-2,3-Dihydro-9-O-beta-glucosyloxy-2-isopropenyl-7H-furo[3,2-g][1]benzopyran-7-one
Formula C20H22O9
Mw 406.1263823
CAS RN 115356-05-3
C_ID C00019835 ,
InChIKey VPAPSBNFWBXZLU-BQTGHGACNA-N
InChICode InChI=1S/C20H22O9/c1-8(2)11-6-10-5-9-3-4-13(22)28-17(9)19(18(10)26-11)29-20-16(25)15(24)14(23)12(7-21)27-20/h3-5,11-12,14-16,20-21,23-25H,1,6-7H2,2H3/t11-,12-,14-,15+,16+,20+/m1/s1
SMILES C=C(C)[C@H]1Cc2cc3ccc(=O)oc3c(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c2O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeApium graveolens Ref.
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