CHEBI:217260 - Iso-alpha-cyclopiazonic acid

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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 Iso-alpha-cyclopiazonic acid
ChEBI ID CHEBI:217260
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H20N2O3
Net Charge 0
Average Mass 336.391
Monoisotopic Mass 336.14739
InChI InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,24H,7H2,1-3H3/t12-,16+,17-/m1/s1
InChIKey SZINUGQCTHLQAZ-OAUYIBNBSA-N
SMILES O=C1N2C([C@@H]3CC=4C=CC=C5C4C([C@@H]3[C@@H]2C(=C1C(=O)C)O)=CN5)(C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: DOI
ChEBI Ontology
Outgoing Iso-alpha-cyclopiazonic acid (CHEBI:217260) is a indoles (CHEBI:24828)
IUPAC Name
(2R,3R,9R)-5-acetyl-4-hydroxy-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-1(17),4,11(18),12,14-pentaen-6-one
Manual Xref Database
78441354 ChemSpider
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