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methyl nogalonate

Properties

Image

Occurences in reactions

MNX_ID

MNXM5244

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₂₁H₁₅O₈

charge

-1

mass

395.07724

reference

InChIKey

QBPKMZSXGLNWOB-UHFFFAOYSA-M

InChI

InChI=1S/C21H16O8/c1-9(22)6-14(24)16-10(8-15(25)29-2)7-12-18(20(16)27)21(28)17-11(19(12)26)4-3-5-13(17)23/h3-5,7,23,27H,6,8H2,1-2H3/p-1

SMILES

COC(=O)Cc1cc2c(c(O)c1C(=O)CC(C)=O)C(=O)c1c([O-])cccc1C2=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:84345 chebi:84345	methyl nogalonate 7-acetoacetyl-8-hydroxy-6-(2-methoxy-2-oxoethyl)-9,10-dioxo-9,10-dihydroanthracen-1-olate methyl nogalonate(1-) nogalonic acid methyl ester(1-)
kegg.compound:C12415 keggC:C12415	Methyl nogalonate Methyl [4,5-dihydroxy-9,10-dioxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetate NAME Nogalonic acid methyl ester
seed.compound:cpd13429 seedM:cpd13429	NAME Nogalonic acid methyl ester methyl [4,5-dihydroxy-9,10-dioxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetate methyl nogalonate nogalonic acid methyl ester
CHEBI:85142 chebi:85142	methyl nogalonate methyl (3-acetoacetyl-4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)acetate nogalonic acid methyl ester
metacyc.compound:CPD-15806 metacycM:CPD-15806	methyl nogalonate methyl [4,5-dihydroxy-9,10-dioxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetate nogalonic acid methyl ester
chebi:31916 keggC:M_C12415 seedM:M_cpd13429	secondary/obsolete/fantasy identifier