input word = C00011492

Metabolite InformationStructural formula
Name Dehydroipomeamarone
(2R-cis)-4-Methyl-1-(2,3,4,5-tetrahydro-5-methyl[2,3'-bifuran]-5-yl)-3-penten-2-one
Formula C15H20O3
Mw 248.1412445
CAS RN 52691-02-8
C_ID C00011492 ,
InChIKey QQYXBLIHHIHFCW-PVRQQBJHNA-N
InChICode InChI=1S/C15H20O3/c1-11(2)8-13(16)9-15(3)6-4-14(18-15)12-5-7-17-10-12/h5,7-8,10,14H,4,6,9H2,1-3H3/t14-,15+/m1/s1
SMILES C1C[C@@H](O[C@@]1(CC(=O)C=C(C)C)C)c1cocc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiCeratobasidiaceaeCeratocystis fimbriata Ref.
PlantaeConvolvulaceaeIpomaea batatas Ref.
PlantaeConvolvulaceaeIpomoea batatas Ref.
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OrganismCeratocystis fimbriata
ReferenceHegarty, B.F. et al., Aust. J. Chem., 1970, 23, 107-117 (Ngaione, Ipomeamarone, Epingaione, abs config)