input word = C00032495

Metabolite InformationStructural formula
Name Viteagnusin B
(+)-Viteagnusin B
Formula C22H36O3
Mw 348.26644502
CAS RN 1123613-60-4
C_ID C00032495 ,
InChIKey JQAPJHXIUGDNIU-GLHSQVHONA-N
InChICode InChI=1S/C22H36O3/c1-8-21(6,24)13-14-22(7)15(2)9-10-17-18(22)11-12-19(20(17,4)5)25-16(3)23/h8,15,19,24H,1,9-14H2,2-7H3/t15-,19+,21-,22-/m1/s1
SMILES C=CC(C)(O)CC[C@@]1(C)C2=C(CC[C@H]1C)C(C)(C)[C@@H](OC(C)=O)CC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeVitex agnus-castus Ref.
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OrganismVitex agnus-castus
ReferenceOno,Chem.Pharm.Bull.,56,(2008),1621