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CHEBI:77988 - methyl aklanonate(1−)

ChEBI IDCHEBI:77988
ChEBI Namemethyl aklanonate(1−)
Stars
ASCII Namemethyl aklanonate(1-)
DefinitionA phenolate anion obtained by deprotonation of 1-hydroxy group of methyl aklanonate. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified20 June 2014
SubmitterKAX
DownloadsMolfile
FormulaC22H17O8
Net Charge-1
Average Mass409.370
Monoisotopic Mass409.09289
SMILESCCC(=O)CC(=O)c1c(CC(=O)OC)cc2c(c1O)C(=O)c1c([O-])cccc1C2=O
InChIInChI=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
InChIKeyIDEZUESUWKFILV-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
methyl aklanonate(1−) (CHEBI:77988) is a phenolate anion (CHEBI:50525)
methyl aklanonate(1−) (CHEBI:77988) is conjugate base of methyl aklanonate (CHEBI:75311)
Incoming Relation(s)
methyl aklanonate (CHEBI:75311) is conjugate acid of methyl aklanonate(1−) (CHEBI:77988)
IUPAC Name 
8-hydroxy-6-(2-methoxy-2-oxoethyl)-9,10-dioxo-7-(3-oxopentanoyl)-9,10-dihydroanthracen-1-olate
UniProt Name  Source
methyl aklanonateUniProt