input word = C00022472

Metabolite InformationStructural formula
Name Villenol acetate
Formula C22H36O3
Mw 348.26644502
CAS RN 66471-74-7
C_ID C00022472 ,
InChIKey PDJCFUBZSXJGDN-BLIDYEAONA-N
InChICode InChI=1S/C22H36O3/c1-16(11-14-23)7-9-19-17(2)8-10-20-21(4,15-25-18(3)24)12-6-13-22(19,20)5/h8,11,19-20,23H,6-7,9-10,12-15H2,1-5H3/b16-11+/t19-,20-,21+,22-/m0/s1
SMILES C1C[C@@]([C@H]2[C@@](C1)([C@H](C(=CC2)C)CC/C(=C/CO)/C)C)(COC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis chamaedrifolia Ref.
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