input word = C00032496

Metabolite InformationStructural formula
Name Viteagnusin C
(-)-Viteagnusin C
Formula C20H36O2
Mw 308.27153039
CAS RN 1123613-62-6
C_ID C00032496 ,
InChIKey XVULBTBTFGYVRC-PIJFQNHYNA-N
InChICode InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16-,18-,19+,20+/m0/s1
SMILES C=CC(C)(O)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeVitex agnus-castus Ref.
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