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CHEBI:217260 - Iso-alpha-cyclopiazonic acid

ChEBI IDCHEBI:217260
ChEBI NameIso-alpha-cyclopiazonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20N2O3
Net Charge0
Average Mass336.391
Monoisotopic Mass336.14739
SMILESCC(=O)C1=C(O)[C@H]2[C@H]3c4cnc5cccc(c45)C[C@H]3C(C)(C)N2C1=O
InChIInChI=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
InChIKeySZINUGQCTHLQAZ-OAUYIBNBSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1007/s10600-009-9433-8)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
78441354ChemSpider