input word = C00017369

Metabolite InformationStructural formula
Name Ligularol acetate
Formula C17H24O3
Mw 276.17254463
CAS RN 4467-60-1
C_ID C00017369 ,
InChIKey PYDPUVCIWSLYHC-UHFFFAOYNA-N
InChICode InChI=1S/C17H24O3/c1-10-9-19-14-8-13-7-5-6-11(2)17(13,4)16(15(10)14)20-12(3)18/h9,11,13,16H,5-8H2,1-4H3/t11-,13+,16+,17+/m1/s1
SMILES C1C[C@H]([C@]2([C@@H](C1)Cc1c([C@@H]2OC(=O)C)c(co1)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLopholaena dregeana Ref.
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OrganismLopholaena dregeana
ReferenceIshii,Tetrahedron,21,(1965),2605

Naya,Tetrahedron Lett.,(1971),2961

Nagaro,Bull.Chem.Soc.Jpn.,46,(1973),4840

Bohlmann,Phytochem.,16,(1977),1769