input word = C00022346

Metabolite InformationStructural formula
Name 12-Acetylvarodiol
Formula C22H36O4
Mw 364.26135964
CAS RN 88143-07-1
C_ID C00022346 ,
InChIKey LAWSULYLFXHAJD-JCBNPJRMNA-N
InChICode InChI=1S/C22H36O4/c1-8-21(6)18(25-14(2)23)13-16-20(5)11-10-17(24)19(3,4)15(20)9-12-22(16,7)26-21/h8,15-18,24H,1,9-13H2,2-7H3/t15-,16-,17+,18+,20+,21-,22-/m0/s1
SMILES C1[C@H](C([C@H]2[C@@](C1)([C@H]1[C@](CC2)(O[C@]([C@@H](C1)OC(=O)C)(C=C)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis varoi Ref.
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OrganismSideritis varoi
ReferenceAlgarra,Phytochem.,22,(1983),1779