Search MNXref
 Feedback

prosolanapyrone III

PropertiesImage
MNX_IDMNXM3086 Image of MNXM3086
referencechebi:63164
formulaC18H22O4
global charge0
mol weight302.37
InChIKeyKINNIEOBQSTCFI-JHHIBIJLSA-N
InChIInChI=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+
SMILESC/C=C/C=C/CCCC/C=C/C1=CC(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+ Image of MNXM3086
SMILES (mnx)[CH3:1]/[CH:3]=[CH:4]/[CH:5]=[CH:6]/[CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]/[C:15]1=[CH:13][C:17]([O:21][CH3:2])=[C:16]([CH:14]=[O:19])[C:18](=[O:20])[O:22]1
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
IdentifierDescription

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