input word = C00048229

Metabolite InformationStructural formula
Name Vitexdoin C
Formula C19H16O5
Mw 324.09977362
CAS RN 1186021-80-6
C_ID C00048229 ,
InChIKey TWPBLWBNALQAFO-UHFFFAOYSA-N
InChICode InChI=1S/C19H16O5/c1-23-17-8-12(5-6-15(17)21)19-13(10-20)4-3-11-7-18(24-2)16(22)9-14(11)19/h3-10,21-22H,1-2H3
SMILES c1(ccc2c(c1c1cc(c(cc1)O)OC)cc(c(c2)OC)O)C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeVitex negundo Ref.
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