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CHEBI:202132 - Dnacin B1

ChEBI IDCHEBI:202132
ChEBI NameDnacin B1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24N4O5
Net Charge0
Average Mass388.424
Monoisotopic Mass388.17467
SMILESCN1C2CC3C1C1C(C4=C(C(=O)C(N)=CC4=O)C(CO)N1C2O)N1CCOC31
InChIInChI=1S/C19H24N4O5/c1-21-9-4-7-14(21)16-15(22-2-3-28-19(7)22)13-11(25)5-8(20)17(26)12(13)10(6-24)23(16)18(9)27/h5,7,9-10,14-16,18-19,24,27H,2-4,6,20H2,1H3
InChIKeyBJHZMIHVUMIBSL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nocardia (ncbitaxon:1817) - PubMed (7251488)
ChEBI Ontology
Outgoing Relation(s)
Dnacin B1 (CHEBI:202132) is a isoquinolines (CHEBI:24922)
IUPAC Name 
13-amino-21-hydroxy-16-(hydroxymethyl)-20-methyl-5-oxa-8,17,20-triazahexacyclo[15.3.1.03,19.04,8.09,18.010,15]henicosa-10(15),12-diene-11,14-dione
Manual XrefsDatabases
2342777ChemSpider