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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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The Swiss Initiative in Systems Biology

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prosolanapyrone III

Properties
MNX_ID	MNXM3086
formula	C₁₈H₂₂O₄
charge	0
mass	302.36488
reference	chebi:63164

Image of MNXM3086

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	COc1cc(\C=C\CCCC\C=C\C=C\C)oc(=O)c1C=O

Occurences in reactions

	#reac
Distinct reactions in my sandbox	0
Distinct generic reactions in MNXref	2
Distinct compatimentalized reactions in models	0

Similar chemical compounds in external resources
Identifier	Description
keggC:M_C19934 seedM:M_cpd21173	secondary/obsolete/fantasy identifier
chebi:63164	prosolanapyrone III 4-methoxy-2-oxo-6-[(1E,7E,9E)-undeca-1,7,9-trien-1-yl]-2H-pyran-3-carbaldehyde
seedM:cpd21173	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
keggC:C19934	Prosolanapyrone III 4-Methoxy-2-oxo-6-(1E,7E,9E)-undeca-1,7,9-trien-1-yl-2H-pyran-3-carboxaldehyde
metacycM:CPD-13656	prosolanapyrone III 4-methoxy-2-oxo-6-(1E,7E,9E)-1,7,9-undecatrienyl-2H-pyran-3-carboxaldehyde