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prosolanapyrone III

Properties Image MNX_ID MNXM3086 reference chebi:63164 formula C18H22O4 global charge 0 mol weight 302.37 InChIKey KINNIEOBQSTCFI-JHHIBIJLSA-N InChI InChI=1S/C18H22O4/c1-3-4-5-6-7-8-9-10-11-12-15-13-17(21-2)16(14-19)18(20)22-15/h3-6,11-14H,7-10H2,1-2H3/b4-3+,6-5+,12-11+ SMILES C/C=C/C=C/CCCC/C=C/c1cc(OC)c(C=O)c(=O)o1 MNX internals InChI (mnx) InChI=1/C18H22O4/c1-3-4-5-6-7-8-9-10-11-12-15-13-17(21-2)16(14-19)18(20)22-15/h3-6,11-14H,7-10H2,1-2H3/b4-3+,6-5+,12-11+ SMILES (mnx) [CH:1]1=[C:9](/[CH:10]=[CH:11]/[CH2:12][CH2:13][CH2:14][CH2:15]/[CH:16]=[CH:17]\[CH:18]=[O:19]\[OH:20])[CH2:2][C:3](=[CH2:4])[C:6]([O:21]=[O:22])=[C:5]1[CH2:7][CH3:8]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:63164 chebi:63164 KINNIEOBQSTCFI-JHHIBIJLSA-N	prosolanapyrone III 4-methoxy-2-oxo-6-[(1E,7E,9E)-undeca-1,7,9-trien-1-yl]-2H-pyran-3-carbaldehyde
kegg.compound:C19934 keggC:C19934 KINNIEOBQSTCFI-JHHIBIJLSA-N	Prosolanapyrone III 4-Methoxy-2-oxo-6-(1E,7E,9E)-undeca-1,7,9-trien-1-yl-2H-pyran-3-carboxaldehyde
seed.compound:cpd21173 seedM:cpd21173 KINNIEOBQSTCFI-JHHIBIJLSA-N	Prosolanapyrone III 4-Methoxy-2-oxo-6-(1E,7E,9E)-undeca-1,7,9-trien-1-yl-2H-pyran-3-carboxaldehyde 4-methoxy-2-oxo-6-(1E,7E,9E)-1,7,9-undecatrienyl-2H-pyran-3-carboxaldehyde prosolanapyrone III
metacyc.compound:CPD-13656 metacycM:CPD-13656 KINNIEOBQSTCFI-JHHIBIJLSA-N	prosolanapyrone III 4-methoxy-2-oxo-6-(1E,7E,9E)-1,7,9-undecatrienyl-2H-pyran-3-carboxaldehyde
keggC:M_C19934 seedM:M_cpd21173	secondary/obsolete/fantasy identifier