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CHEBI:212005 - Methylbenzastatin K

ChEBI IDCHEBI:212005
ChEBI NameMethylbenzastatin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H23NO2
Net Charge0
Average Mass285.387
Monoisotopic Mass285.17288
SMILESCC(C)=C(C)CCC1=CCc2cc(C(=O)O)ccc2NC1
InChIInChI=1S/C18H23NO2/c1-12(2)13(3)4-5-14-6-7-15-10-16(18(20)21)8-9-17(15)19-11-14/h6,8-10,19H,4-5,7,11H2,1-3H3,(H,20,21)
InChIKeyDUQBGCPHFYMBQE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1021/jacs.8b02769)
ChEBI Ontology
Outgoing Relation(s)
Methylbenzastatin K (CHEBI:212005) is a benzazepine (CHEBI:35676)
IUPAC Name 
3-(3,4-dimethylpent-3-enyl)-2,5-dihydro-1H-1-benzazepine-7-carboxylic acid