input word = C00022471

Metabolite InformationStructural formula
Name Villenol
Formula C20H34O2
Mw 306.25588033
CAS RN 66471-77-0
C_ID C00022471 ,
InChIKey ROXAOLHSWRGMCR-NLZRXZAONA-N
InChICode InChI=1S/C20H34O2/c1-15(10-13-21)6-8-17-16(2)7-9-18-19(3,14-22)11-5-12-20(17,18)4/h7,10,17-18,21-22H,5-6,8-9,11-14H2,1-4H3/b15-10+/t17-,18-,19+,20-/m0/s1
SMILES C1C[C@@]([C@H]2[C@@](C1)([C@H](C(=CC2)C)CC/C(=C/CO)/C)C)(CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis chamaedrifolia Ref.
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OrganismSideritis chamaedrifolia
ReferenceRodriguez,Phytochem.,17,(1978),281