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CHEBI:64161 - asperthecin

ChEBI IDCHEBI:64161
ChEBI Nameasperthecin
Stars
DefinitionAn anthraquinone pigment obtained from the mould Aspergillus nidulans.
Last Modified9 March 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC15H10O8
Net Charge0
Average Mass318.237
Monoisotopic Mass318.03757
SMILESO=C1c2c(cc(CO)c(O)c2O)C(=O)c2c(O)c(O)cc(O)c21
InChIInChI=1S/C15H10O8/c16-3-4-1-5-8(15(23)11(4)19)14(22)9-6(17)2-7(18)13(21)10(9)12(5)20/h1-2,16-19,21,23H,3H2
InChIKeyDLOLMYKOOZLTPY-UHFFFAOYSA-N
Roles Classification
Biological Roles:
biological pigment  An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light.
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)
asperthecin (CHEBI:64161) has role biological pigment (CHEBI:26130)
asperthecin (CHEBI:64161) has role metabolite (CHEBI:25212)
asperthecin (CHEBI:64161) is a pentahydroxyanthraquinone (CHEBI:132198)
Incoming Relation(s)
2,3,6,8,9-pentahydroxy-1-oxo-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracene-2-carboxylate (CHEBI:149683) has functional parent asperthecin (CHEBI:64161)
2,3,6,8,9-pentahydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroanthracen-1-one (CHEBI:146216) has functional parent asperthecin (CHEBI:64161)
IUPAC Name 
1,2,5,6,8-pentahydroxy-3-(hydroxymethyl)anthracene-9,10-dione
Registry NumbersSources
Reaxys:2674392Reaxys
CAS:10089-00-6ChemIDplus
Citations