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CHEBI:217236 - Neolymphostinol B

ChEBI IDCHEBI:217236
ChEBI NameNeolymphostinol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16N4O3
Net Charge0
Average Mass312.329
Monoisotopic Mass312.12224
SMILESCCC(=O)Nc1cc(=N)c2ncc3cc(C(=O)CCO)nc1c32
InChIInChI=1S/C16H16N4O3/c1-2-13(23)19-11-6-9(17)15-14-8(7-18-15)5-10(20-16(11)14)12(22)3-4-21/h5-7,17,20-21H,2-4H2,1H3,(H,19,23)
InChIKeyHPWURPWOHPLBEV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Salinispora arenicola CNS-205 (ncbitaxon:391037) - PubMed (21815669)
ChEBI Ontology
Outgoing Relation(s)
Neolymphostinol B (CHEBI:217236) 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]propanamide
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78435508ChemSpider