input word = C00022253

Metabolite InformationStructural formula
Name 19-Acetylvillenolone
Formula C22H36O4
Mw 364.26135964
CAS RN 66471-73-6
C_ID C00022253 ,
InChIKey NLSHPJQSTZKKHA-NJKIGJLENA-N
InChICode InChI=1S/C22H36O4/c1-15(9-12-23)7-8-18-16(2)19(25)13-20-21(4,14-26-17(3)24)10-6-11-22(18,20)5/h9,16,18,20,23H,6-8,10-14H2,1-5H3/b15-9+/t16-,18-,20-,21+,22+/m0/s1
SMILES CC(=O)OC[C@@]1(C)CCC[C@@]2(C)C1CC(=O)[C@@H](C)[C@@H]2CC/C(C)=C/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis chamaedrifolia Ref.
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