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CHEBI:51881 - asterriquinone

ChEBI IDCHEBI:51881
ChEBI Nameasterriquinone
Stars
Last Modified3 June 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC32H30N2O4
Net Charge0
Average Mass506.602
Monoisotopic Mass506.22056
SMILESC=CC(C)(C)n1cc(C2=C(O)C(=O)C(c3cn(C(C)(C)C=C)c4ccccc34)=C(O)C2=O)c2ccccc21
InChIInChI=1S/C32H30N2O4/c1-7-31(3,4)33-17-21(19-13-9-11-15-23(19)33)25-27(35)29(37)26(30(38)28(25)36)22-18-34(32(5,6)8-2)24-16-12-10-14-20(22)24/h7-18,35,38H,1-2H2,3-6H3
InChIKeyKMHWTYMNRHJTQG-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)
asterriquinone (CHEBI:51881) is a asterriquinones (CHEBI:51880)
asterriquinone (CHEBI:51881) is a dihydroxy-1,4-benzoquinones (CHEBI:132126)
IUPAC Name 
2,5-dihydroxy-3,6-bis[1-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
Synonym  Source
2,5-bis[1-(1,1-dimethylallyl)-1H-indol-3-yl]-3,6-dihydroxy-1,4-benzoquinoneChEBI
Registry NumbersSources
Beilstein:732850Beilstein
CAS:60696-52-8ChemIDplus