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CHEBI:216740 - Epoxyagroclavine I

ChEBI IDCHEBI:216740
ChEBI NameEpoxyagroclavine I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18N2O
Net Charge0
Average Mass254.333
Monoisotopic Mass254.14191
SMILESCN1CC2(C)OC2C2c3cccc4ncc(c34)CC21
InChIInChI=1S/C16H18N2O/c1-16-8-18(2)12-6-9-7-17-11-5-3-4-10(13(9)11)14(12)15(16)19-16/h3-5,7,12,14-15,17H,6,8H2,1-2H3
InChIKeyWASFVUNJIDBCHV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium kapuscinskii (ncbitaxon:1195888) - DOI (10.1016/s0040-4039(01)91162-1)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Epoxyagroclavine I (CHEBI:216740) is a alkaloid (CHEBI:22315)
IUPAC Name 
5,7-dimethyl-4-oxa-7,12-diazapentacyclo[8.6.1.02,8.03,5.013,17]heptadeca-1(17),10,13,15-tetraene
Manual XrefsDatabases
78444730ChemSpider