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CHEBI:199737 - Haematopodin B

ChEBI IDCHEBI:199737
ChEBI NameHaematopodin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H13N3O2
Net Charge0
Average Mass243.266
Monoisotopic Mass243.10078
SMILESN=C1C=C2c3c(cnc3C1=O)C[C@H]1OCCCN21
InChIInChI=1S/C13H13N3O2/c14-8-5-9-11-7(6-15-12(11)13(8)17)4-10-16(9)2-1-3-18-10/h5-6,10,14-15H,1-4H2/t10-/m1/s1
InChIKeyCLAPNKMEQIYQLC-SNVBAGLBSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - DOI (10.1002/ejoc.200700739)
ChEBI Ontology
Outgoing Relation(s)
Haematopodin B (CHEBI:199737) is a pyrroloquinoline (CHEBI:50918)
IUPAC Name 
(7R)-14-imino-6-oxa-2,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16)-trien-13-one
Manual XrefsDatabases
28284749ChemSpider