OntologieschebiclassesCHEBI:31915   
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nogalonic acid
http://purl.obolibrary.org/obo/CHEBI_31915

A dihydroxyanthraquinone that is 1,8-dihydroxy-9,10-anthraquinone which is substituted a position 2 by a 3-oxobutanoyl group and at position 3 by a carboxymethyl group. An intermediate in the biosynthesis of nogalamycin.

Also appears inslmgo
Exact Synonyms
[4,5-dihydroxy-9,10-dioxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetic acid
class Information
charge

0

formula

C20H14O8

has_obo_namespace

chebi_ontology

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)

inchikey

WTOVDVFGOSWBFR-UHFFFAOYSA-N

in_subset

3_STAR

mass

382.32040

monoisotopicmass

382.06887

smiles

CC(=O)CC(=O)c1c(O)c2C(=O)c3c(O)cccc3C(=O)c2cc1CC(O)=O

class Relations