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CHEBI:66351 - variecolorquinone B

ChEBI IDCHEBI:66351
ChEBI Namevariecolorquinone B
Stars
DefinitionAn aromatic ester that is methyl 2-hydroxy-4-methylbenzoate attached to a (6-methoxy-1,4-benzoquinon-2-yl)methyl group at position 6. Isolated from Aspergillus variecolor, it exhibits cytotoxic activity.
Last Modified3 June 2016
DownloadsMolfile
FormulaC17H16O6
Net Charge0
Average Mass316.309
Monoisotopic Mass316.09469
SMILESCOC(=O)c1c(O)cc(C)cc1CC1=CC(=O)C=C(OC)C1=O
InChIInChI=1S/C17H16O6/c1-9-4-10(15(13(19)5-9)17(21)23-3)6-11-7-12(18)8-14(22-2)16(11)20/h4-5,7-8,19H,6H2,1-3H3
InChIKeyCGSNFYSSVZXFAX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus variecolor (ncbitaxon:469282) - PubMed (17965475) Strain: B 17
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
variecolorquinone B (CHEBI:66351) has role Aspergillus metabolite (CHEBI:76956)
variecolorquinone B (CHEBI:66351) has role antineoplastic agent (CHEBI:35610)
variecolorquinone B (CHEBI:66351) is a 1,4-benzoquinones (CHEBI:132124)
variecolorquinone B (CHEBI:66351) is a aromatic ester (CHEBI:62732)
variecolorquinone B (CHEBI:66351) is a methyl ester (CHEBI:25248)
variecolorquinone B (CHEBI:66351) is a phenols (CHEBI:33853)
IUPAC Name 
methyl 2-hydroxy-6-[(5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4-methylbenzoate
Citations