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CHEBI:198844 - Amycocyclopiazonic acid

ChEBI IDCHEBI:198844
ChEBI NameAmycocyclopiazonic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20N2O2
Net Charge0
Average Mass296.370
Monoisotopic Mass296.15248
SMILESCC1(C)[C@@H]2Cc3cccc4ncc(c34)[C@@H]2[C@@H]2[C@H](O)CC(=O)N21
InChIInChI=1S/C18H20N2O2/c1-18(2)11-6-9-4-3-5-12-15(9)10(8-19-12)16(11)17-13(21)7-14(22)20(17)18/h3-5,8,11,13,16-17,19,21H,6-7H2,1-2H3/t11-,13-,16+,17+/m1/s1
InChIKeySMXNLCYMHFJNLF-AQMVCYDESA-N
Species of MetaboliteComponentSourceComments
Amycolatopsisspecies (ncbitaxon:37632) - PubMed (24759001)
ChEBI Ontology
Outgoing Relation(s)
Amycocyclopiazonic acid (CHEBI:198844) is a indoles (CHEBI:24828)
IUPAC Name 
(2R,3R,4R,9R)-4-hydroxy-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-1(17),11(18),12,14-tetraen-6-one
Manual XrefsDatabases
32675025ChemSpider