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CHEBI:64450 - endocrocin

ChEBI IDCHEBI:64450
ChEBI Nameendocrocin
Stars
DefinitionA trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by a carboxy group at position 2, a methyl group at position 3, and hydroxy groups at positions 1, 6, and 8.
Last Modified14 June 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC16H10O7
Net Charge0
Average Mass314.249
Monoisotopic Mass314.04265
SMILESCc1cc2c(c(O)c1C(=O)O)C(=O)c1c(O)cc(O)cc1C2=O
InChIInChI=1S/C16H10O7/c1-5-2-7-12(14(20)10(5)16(22)23)15(21)11-8(13(7)19)3-6(17)4-9(11)18/h2-4,17-18,20H,1H3,(H,22,23)
InChIKeyUZOHDKGTYVTYDZ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
endocrocin (CHEBI:64450) has role metabolite (CHEBI:25212)
endocrocin (CHEBI:64450) is a monocarboxylic acid (CHEBI:25384)
endocrocin (CHEBI:64450) is a phenols (CHEBI:33853)
endocrocin (CHEBI:64450) is a trihydroxyanthraquinone (CHEBI:37488)
IUPAC Name 
1,6,8-trihydroxy-3-methyl-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
Synonym  Source
9,10-dihydro-1,6,8-trihydroxy-3-methyl-9,10-dioxo-2-anthracenecarboxylic acidChemIDplus
Registry NumbersSources
Reaxys:2226192Reaxys
CAS:481-70-9ChemIDplus
Citations