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CHEBI:4722 - Dubinidine

ChEBI IDCHEBI:4722
ChEBI NameDubinidine
Stars
Last Modified24 February 2016
DownloadsMolfile
FormulaC15H17NO4
Net Charge0
Average Mass275.304
Monoisotopic Mass275.11576
SMILES[H]C1(C(C)(O)CO)Cc2c(nc3ccccc3c2OC)O1
InChIInChI=1S/C15H17NO4/c1-15(18,8-17)12-7-10-13(19-2)9-5-3-4-6-11(9)16-14(10)20-12/h3-6,12,17-18H,7-8H2,1-2H3
InChIKeyNETGEQWGGLFVRL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Dubinidine (CHEBI:4722) is a organic heterotricyclic compound (CHEBI:26979)
Dubinidine (CHEBI:4722) is a organonitrogen heterocyclic compound (CHEBI:38101)
Dubinidine (CHEBI:4722) is a oxacycle (CHEBI:38104)
Synonym  Source
DubinidineKEGG COMPOUND
Manual XrefsDatabases
C10662KEGG COMPOUND
C00002153KNApSAcK
LSM-1971LINCS
Registry NumbersSources
CAS:22964-77-8KEGG COMPOUND