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CHEBI:142788 - 2,3,4,7,9-pentahydroxy-6-methyl-1H-phenalen-1-one(1−)

ChEBI IDCHEBI:142788
ChEBI Name2,3,4,7,9-pentahydroxy-6-methyl-1H-phenalen-1-one(1−)
Stars
ASCII Name2,3,4,7,9-pentahydroxy-6-methyl-1H-phenalen-1-one(1-)
DefinitionAn organic anion resulting from the deprotonation of the 3-hydroxy group of 2,3,4,7,9-pentahydroxy-6-methyl-1H-phenalen-1-one; major microspecies at pH 7.3.
Last Modified28 March 2019
SubmitterAnne Morgat
DownloadsMolfile
FormulaC14H9O6
Net Charge-1
Average Mass273.220
Monoisotopic Mass273.04046
SMILESCc1cc(O)c2c3c(c(O)cc(O)c13)C(=O)C(O)=C2[O-]
InChIInChI=1S/C14H10O6/c1-4-2-5(15)9-11-8(4)6(16)3-7(17)10(11)13(19)14(20)12(9)18/h2-3,15-18,20H,1H3/p-1
InChIKeyWKCIPEFSZITGMF-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
2,3,4,7,9-pentahydroxy-6-methyl-1H-phenalen-1-one(1−) (CHEBI:142788) is a organic anion (CHEBI:25696)
2,3,4,7,9-pentahydroxy-6-methyl-1H-phenalen-1-one(1−) (CHEBI:142788) is conjugate base of 2,3,4,7,9-pentahydroxy-6-methyl-1H-phenalen-1-one (CHEBI:142620)
Incoming Relation(s)
2,3,4,7,9-pentahydroxy-6-methyl-1H-phenalen-1-one (CHEBI:142620) is conjugate acid of 2,3,4,7,9-pentahydroxy-6-methyl-1H-phenalen-1-one(1−) (CHEBI:142788)
IUPAC Name 
2,4,7,9-tetrahydroxy-6-methyl-1-oxo-1H-phenalen-3-olate
UniProt Name  Source
2,3,4,7,9-pentahydroxy-6-methyl-1H-phenalen-1-oneUniProt
Citations