input word = C00048231

Metabolite InformationStructural formula
Name Vitexdoin E
Formula C19H16O6
Mw 340.09468824
CAS RN 1186021-82-8
C_ID C00048231 ,
InChIKey WFANYWPAAJRIFF-UHFFFAOYSA-N
InChICode InChI=1S/C19H16O6/c1-24-17-6-10(3-4-15(17)21)12-5-11(9-20)19(23)14-8-18(25-2)16(22)7-13(12)14/h3-9,21-23H,1-2H3
SMILES c1c(c(c2c(c1c1cc(c(cc1)O)OC)cc(c(c2)OC)O)O)C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeVitex negundo Ref.
zoom in