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CHEBI:199830 - Neolymphostinol A

ChEBI IDCHEBI:199830
ChEBI NameNeolymphostinol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H18N4O3
Net Charge0
Average Mass326.356
Monoisotopic Mass326.13789
SMILESCC(C)C(=O)Nc1cc(=N)c2ncc3cc(C(=O)CCO)nc1c32
InChIInChI=1S/C17H18N4O3/c1-8(2)17(24)21-12-6-10(18)15-14-9(7-19-15)5-11(20-16(12)14)13(23)3-4-22/h5-8,18,20,22H,3-4H2,1-2H3,(H,21,24)
InChIKeyZAUCCBVYZOJZFK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Salinispora arenicola CNS-205 (ncbitaxon:391037) - PubMed (21815669)
ChEBI Ontology
Outgoing Relation(s)
Neolymphostinol A (CHEBI:199830) is a pyrroloquinoline (CHEBI:50918)
IUPAC Name 
N-[6-(3-hydroxypropanoyl)-11-imino-2,7-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8(12),9-pentaen-9-yl]-2-methylpropanamide
Manual XrefsDatabases
78435426ChemSpider