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CHEBI:71663 - versiconal hydroxyaldehyde form

ChEBI IDCHEBI:71663
ChEBI Nameversiconal hydroxyaldehyde form
Stars
DefinitionThe tricyclic anthraquinone-hydroxyaldehyde form of versicolorone.
Last Modified14 June 2016
SubmitterSteve
DownloadsMolfile
FormulaC18H14O8
Net Charge0
Average Mass358.302
Monoisotopic Mass358.06887
SMILES[H]C(=O)C(CCO)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O
InChIInChI=1S/C18H14O8/c19-2-1-7(6-20)13-12(23)5-10-15(17(13)25)18(26)14-9(16(10)24)3-8(21)4-11(14)22/h3-7,19,21-23,25H,1-2H2
InChIKeyGMVJTFZRAUCHLC-UHFFFAOYSA-N
Roles Classification
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)
versiconal hydroxyaldehyde form (CHEBI:71663) is a aldehyde (CHEBI:17478)
versiconal hydroxyaldehyde form (CHEBI:71663) is a tetrahydroxyanthraquinone (CHEBI:37496)
versiconal hydroxyaldehyde form (CHEBI:71663) is a versiconal (CHEBI:71662)
IUPAC Name 
4-hydroxy-2-(1,3,6,8-tetrahydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)butanal
Synonym  Source
versiconal tricyclic formChEBI
Registry NumbersSources
CAS:62218-05-7ChemIDplus
Citations