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nogalonate

Properties

Image

Occurences in reactions

MNX_ID

MNXM8943

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

formula

C₂₀H₁₂O₈

charge

-2

mass

380.05431

reference

InChIKey

WTOVDVFGOSWBFR-UHFFFAOYSA-L

InChI

InChI=1S/C20H14O8/c1-8(21)5-13(23)15-9(7-14(24)25)6-11-17(19(15)27)20(28)16-10(18(11)26)3-2-4-12(16)22/h2-4,6,22,27H,5,7H2,1H3,(H,24,25)/p-2

SMILES

CC(=O)CC(=O)c1c(CC(=O)[O-])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:84897 chebi:84897	nogalonate [4,5-dihydroxy-9,10-dioxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetate [4-hydroxy-5-oxido-9,10-dioxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetate nogalonate(2-)
kegg.compound:C12416 keggC:C12416	Nogalonate Nogalonic acid
seed.compound:cpd09168 seedM:cpd09168	Nogalonic acid [4,5-dihydroxy-9,10-dioxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetate nogalonate nogalonic acid
metacyc.compound:CPD-17517 metacycM:CPD-17517	nogalonate [4,5-dihydroxy-9,10-dioxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetate nogalonic acid
CHEBI:31915 chebi:31915	nogalonic acid [4,5-dihydroxy-9,10-dioxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetic acid
keggC:M_C12416 seedM:M_cpd09168	secondary/obsolete/fantasy identifier