input word = C00048228

Metabolite InformationStructural formula
Name Vitexdoin B
Formula C19H16O5
Mw 324.09977362
CAS RN 1186021-79-3
C_ID C00048228 ,
InChIKey HWWOGKWMIOQRRX-UHFFFAOYSA-N
InChICode InChI=1S/C19H16O5/c1-23-17-9-12(3-5-15(17)21)14-8-11(10-20)7-13-4-6-16(22)19(24-2)18(13)14/h3-10,21-22H,1-2H3
SMILES COc1cc(-c2cc(C=O)cc3ccc(O)c(OC)c23)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeVitex negundo Ref.
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OrganismVitex negundo
ReferenceZheng,J.Nat.Prod.,72,(2009),1627