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CHEBI:3452 - Casimiroin

ChEBI IDCHEBI:3452
ChEBI NameCasimiroin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC12H11NO4
Net Charge0
Average Mass233.223
Monoisotopic Mass233.06881
SMILESCOc1cc(=O)n(C)c2c3c(ccc12)OCO3
InChIInChI=1S/C12H11NO4/c1-13-10(14)5-9(15-2)7-3-4-8-12(11(7)13)17-6-16-8/h3-5H,6H2,1-2H3
InChIKeyDPXXJCMMMXZVSW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Casimiroin (CHEBI:3452) is a quinolines (CHEBI:26513)
Synonym  Source
CasimiroinKEGG COMPOUND
Manual XrefsDatabases
C10654KEGG COMPOUND
XM5PDBeChem
C00002146KNApSAcK
HMDB0033349HMDB
Registry NumbersSources
CAS:477-89-4KEGG COMPOUND