input word = C00045445

Metabolite InformationStructural formula
Name Vitexifolin B
(+)-Vitexifolin B
Formula C20H36O3
Mw 324.26644502
CAS RN 427894-50-6
C_ID C00045445 ,
InChIKey BBYQYMNXQRGCRE-LHAVGABSNA-N
InChICode InChI=1S/C20H36O3/c1-7-17(3,22)12-13-18(4)14(2)10-11-19(5)15(18)8-9-16(21)20(19,6)23/h7,14-16,21-23H,1,8-13H2,2-6H3/t14-,15+,16+,17+,18-,19-,20-/m1/s1
SMILES [C@H]1(CC[C@@]2([C@H]([C@@]1(CC[C@@](C=C)(C)O)C)CC[C@@H]([C@@]2(C)O)O)C)C
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