CHEBI:75311 - methyl aklanonate

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ChEBI Name methyl aklanonate ChEBI ID CHEBI:75311 Definition A methyl ester resulting from the formal condensation of aklanonic acid with methanol. Stars This entity has been manually annotated by the ChEBI Team. Submitter KAX Secondary ChEBI IDs CHEBI:31179 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C22H18O8 Net Charge 0 Average Mass 410.37350 Monoisotopic Mass 410.10017 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 InChIKey IDEZUESUWKFILV-UHFFFAOYSA-N SMILES CCC(=O)CC(=O)c1c(O)c2C(=O)c3c(O)cccc3C(=O)c2cc1CC(=O)OC ChEBI Ontology Outgoing methyl aklanonate (CHEBI:75311) has functional parent aklanonic acid (CHEBI:31178) methyl aklanonate (CHEBI:75311) is a dihydroxyanthraquinone (CHEBI:37484) methyl aklanonate (CHEBI:75311) is a methyl ester (CHEBI:25248) methyl aklanonate (CHEBI:75311) is a polyphenol (CHEBI:26195) methyl aklanonate (CHEBI:75311) is conjugate acid of methyl aklanonate(1−) (CHEBI:77988) Incoming methyl aklanonate(1−) (CHEBI:77988) is conjugate base of methyl aklanonate (CHEBI:75311) IUPAC Name methyl [4,5-dihydroxy-9,10-dioxo-3-(3-oxopentanoyl)-9,10-dihydroanthracen-2-yl]acetate Synonyms Sources AAME KEGG COMPOUND Aklanonic acid methyl ester KEGG COMPOUND Manual Xrefs Databases C12422 KEGG COMPOUND CPD-15729 MetaCyc View more database links Citation Type Source 7836284 PubMed citation SUBMITTER Last Modified 14 June 2016