CHEBI:214972 - PM-53

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PM-53
ChEBI ID CHEBI:214972
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H24N2O4
Net Charge 0
Average Mass 464.521
Monoisotopic Mass 464.17361
InChI InChI=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+
InChIKey CTZVPYADWNUQLM-MDZDMXLPSA-N
SMILES O=C1C(OC)=C(C(=O)C(=C1C=2C3=C(C=CC(=C3)/C=C/C(=C)C)NC2)OC)C=4C5=C(C=CC=C5)NC4
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
4946323 ChemSpider
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