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CHEBI:64161 - asperthecin

Default Structure
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:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
biological pigment  An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light.
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