input word = C00045446

Metabolite InformationStructural formula
Name Vitexifolin C
Formula C20H28O
Mw 284.21401552
CAS RN 351427-23-1
C_ID C00045446 ,
InChIKey CRMSCXRMKBTZGF-VANWGATQNA-N
InChICode InChI=1S/C20H28O/c1-13(2)15-6-9-18-16(12-15)7-8-17-14(3)20(5,21)11-10-19(17,18)4/h6,9,12-13,17,21H,3,7-8,10-11H2,1-2,4-5H3/t17-,19-,20+/m0/s1
SMILES C1[C@@](C(=C)[C@H]2[C@](C1)(c1c(CC2)cc(cc1)C(C)C)C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeVitex rotundifolia Ref.
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OrganismVitex rotundifolia
ReferenceOno,J.Nat.Prod.,65,(2002),537