input word = C00036187

Metabolite InformationStructural formula
Name O-Methylpisiferic acid methyl ester
Formula C22H32O3
Mw 344.23514489
CAS RN 57397-34-9
C_ID C00036187 ,
InChIKey OTVSVVDNOOVYKN-DMCKPQHPNA-N
InChICode InChI=1S/C22H32O3/c1-14(2)16-12-15-8-9-19-21(3,4)10-7-11-22(19,20(23)25-6)17(15)13-18(16)24-5/h12-14,19H,7-11H2,1-6H3/t19-,22-/m0/s1
SMILES COC(=O)[C@]12CCCC(C)(C)[C@@H]1CCc1cc(C(C)C)c(OC)cc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia blepharochaena Hedge and Hub.Mor. Ref.
PlantaeLabiataeSalvia blepharochlaena Ref.
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OrganismSalvia blepharochlaena
ReferenceUlubelen,J.Nat.Prod.,64,(2001),549