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@H]1(CCC2=C([C@@]1(CC[C@](C=C)(C)O)C)CC[C@@H](C2(C)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeVitex agnus-castus Ref.
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