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deoxynogalonate

Properties

Image

Occurences in reactions

MNX_ID

MNXM9681

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

formula

C₂₀H₁₅O₇

charge

-1

mass

367.08233

reference

InChIKey

YUGKGSBEHZYJDB-UHFFFAOYSA-M

InChI

InChI=1S/C20H16O7/c1-9(21)5-14(23)17-12(8-15(24)25)7-11-6-10-3-2-4-13(22)16(10)19(26)18(11)20(17)27/h2-4,7,22,27H,5-6,8H2,1H3,(H,24,25)/p-1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:84900 chebi:84900	deoxynogalonate 12-deoxynogalonate(1-) [4,5-dihydroxy-10-oxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetate
seed.compound:cpd19892 seedM:cpd19892	12-Deoxynogalonic acid 12-deoxynogalonate 12-deoxynogalonic acid [4,5-dihydroxy-10-oxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetate deoxynogalonate
CHEBI:81873 chebi:81873	12-deoxynogalonic acid [4,5-dihydroxy-10-oxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetic acid
kegg.compound:C18629 keggC:C18629	Deoxynogalonate 12-Deoxynogalonic acid
metacyc.compound:CPD-17516 metacycM:CPD-17516	deoxynogalonate 12-deoxynogalonate 12-deoxynogalonic acid [4,5-dihydroxy-10-oxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetate
keggC:M_C18629 seedM:M_cpd19892	secondary/obsolete/fantasy identifier