EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:28677 - 1,4-dihydroxy-2-methylanthraquinone

ChEBI IDCHEBI:28677
ChEBI Name1,4-dihydroxy-2-methylanthraquinone
Stars
Secondary ChEBI IDsCHEBI:538, CHEBI:18932
Last Modified14 June 2016
DownloadsMolfile
FormulaC15H10O4
Net Charge0
Average Mass254.241
Monoisotopic Mass254.05791
SMILESCc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H10O4/c1-7-6-10(16)11-12(13(7)17)15(19)9-5-3-2-4-8(9)14(11)18/h2-6,16-17H,1H3
InChIKeyJXHLSZPLSSDYCF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1,4-dihydroxy-2-methylanthraquinone (CHEBI:28677) is a dihydroxyanthraquinone (CHEBI:37484)
IUPAC Name 
1,4-dihydroxy-2-methylanthracene-9,10-dione
Synonyms  Source
1,4-Dihydroxy-2-methylanthraquinoneKEGG COMPOUND
1,4-dihydroxy-2-methyl-9,10-anthraquinoneIUPAC
Manual XrefsDatabases
C10329KEGG COMPOUND
C00002815KNApSAcK
Registry NumbersSources
Beilstein:2056998Beilstein
CAS:2589-39-1KEGG COMPOUND
CAS:2589-39-1ChemIDplus