EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:214972 - PM-53

ChEBI IDCHEBI:214972
ChEBI NamePM-53
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H24N2O4
Net Charge0
Average Mass464.521
Monoisotopic Mass464.17361
SMILESC=C(C)/C=C/c1ccc2ncc(C3=C(OC)C(=O)C(c4cnc5ccccc45)=C(OC)C3=O)c2c1
InChIInChI=1S/C29H24N2O4/c1-16(2)9-10-17-11-12-23-19(13-17)21(15-31-23)25-27(33)28(34-3)24(26(32)29(25)35-4)20-14-30-22-8-6-5-7-18(20)22/h5-15,30-31H,1H2,2-4H3/b10-9+
InChIKeyCTZVPYADWNUQLM-MDZDMXLPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1248/cpb.45.1694)
ChEBI Ontology
Outgoing Relation(s)
PM-53 (CHEBI:214972) is a indoles (CHEBI:24828)
IUPAC Name 
2-(1H-indol-3-yl)-3,6-dimethoxy-5-[5-[(1E)-3-methylbuta-1,3-dienyl]-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
Manual XrefsDatabases
4946323ChemSpider