input word = C00046508

Metabolite InformationStructural formula
Name Vitrofolal C
(+)-Vitrofolal C
Formula C21H18O6
Mw 366.11033831
CAS RN 261903-77-9
C_ID C00046508 ,
InChIKey NFTOWXYLSPBKQL-UHFFFAOYNA-N
InChICode InChI=1S/C21H18O6/c1-25-15-7-12-13(8-16(15)26-2)20(24)17-11(9-22)6-10-4-5-14(23)21(27-3)18(10)19(12)17/h4-9,20,23-24H,1-3H3/t20-/m1/s1
SMILES c1(c(cc2c(c1)c1c([C@@H]2O)c(cc2c1c(c(cc2)O)OC)C=O)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeVitex rotundifolia Ref.
zoom in