CHEBI:4722 - Dubinidine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Dubinidine
ChEBI ID CHEBI:4722
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C15H17NO4
C15H17NO4
Net Charge 0
Average Mass 275.300
Monoisotopic Mass 275.11576
InChI InChI=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
InChIKey NETGEQWGGLFVRL-UHFFFAOYSA-N
SMILES COc1c2CC(Oc2nc2ccccc12)C(C)(O)CO
ChEBI Ontology
Outgoing 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
Dubinidine KEGG COMPOUND
Manual Xrefs Databases
C00002153 KNApSAcK
C10662 KEGG COMPOUND
LSM-1971 LINCS
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Registry Number Type Source
22964-77-8 CAS Registry Number KEGG COMPOUND
Last Modified
24 February 2016