input word = C00010192

Metabolite InformationStructural formula
Name Demethylwedelolactone 3-O-glucoside
Formula C21H18O12
Mw 462.07982604
CAS RN 30414-09-6
C_ID C00010192 ,
InChIKey HKFFFIWYFPSUML-URVWCXRJNA-N
InChICode InChI=1S/C21H18O12/c22-5-13-16(26)17(27)18(28)21(33-13)30-6-1-10(25)15-12(2-6)32-20(29)14-7-3-8(23)9(24)4-11(7)31-19(14)15/h1-4,13,16-18,21-28H,5H2/t13-,16+,17+,18-,21-/m1/s1
SMILES O=c1oc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc(O)c2c2oc3cc(O)c(O)cc3c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEclipta alba Ref.
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