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(c1cc2c(c3c(c(=O)o2)c2c(cc(c(c2)O)O)o3)c(c1)O)[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEclipta alba Ref.
zoom in