Feedback

methyl aklanonate

Properties

Image

Occurences in reactions

MNX_ID

MNXM7036

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₂H₁₇O₈

charge

-1

mass

409.09289

reference

InChIKey

IDEZUESUWKFILV-UHFFFAOYSA-M

InChI

InChI=1S/C22H18O8/c1-3-11(23)9-15(25)17-10(8-16(26)30-2)7-13-19(21(17)28)22(29)18-12(20(13)27)5-4-6-14(18)24/h4-7,24,28H,3,8-9H2,1-2H3/p-1

SMILES

CCC(=O)CC(=O)c1c(CC(=O)OC)cc2c(c1O)C(=O)c1c([O-])cccc1C2=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77988 chebi:77988	methyl aklanonate 8-hydroxy-6-(2-methoxy-2-oxoethyl)-9,10-dioxo-7-(3-oxopentanoyl)-9,10-dihydroanthracen-1-olate methyl aklanonate(1-)
seed.compound:cpd09174 seedM:cpd09174	Aklanonic acid methyl ester AAME Methyl [4,5-dihydroxy-9,10-dioxo-3-(3-oxopentanoyl)-9,10-dihydroanthracen-2-yl]acetate Methyl aklanonate aklanonic acid methyl ester methyl aklanonate
kegg.compound:C12422 keggC:C12422	Methyl aklanonate AAME Aklanonic acid methyl ester Methyl [4,5-dihydroxy-9,10-dioxo-3-(3-oxopentanoyl)-9,10-dihydroanthracen-2-yl]acetate
CHEBI:75311 chebi:75311	methyl aklanonate AAME Aklanonic acid methyl ester methyl [4,5-dihydroxy-9,10-dioxo-3-(3-oxopentanoyl)-9,10-dihydroanthracen-2-yl]acetate
metacyc.compound:CPD-15729 metacycM:CPD-15729	methyl aklanonate aklanonic acid methyl ester
chebi:31179 keggC:M_C12422 seedM:M_cpd09174	secondary/obsolete/fantasy identifier