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CHEBI:31723 - Ismine

Default Structure
ChEBI IDCHEBI:31723
ChEBI NameIsmine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H15NO3
Net Charge0
Average Mass257.289
Monoisotopic Mass257.10519
SMILESCNc1ccccc1-c1cc2c(cc1CO)OCO2
InChIInChI=1S/C15H15NO3/c1-16-13-5-3-2-4-11(13)12-7-15-14(18-9-19-15)6-10(12)8-17/h2-7,16-17H,8-9H2,1H3
InChIKeyGSEKYIWUAPZIEF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Ismine (CHEBI:31723) is a biphenyls (CHEBI:22888)
Synonym  Source
IsmineKEGG COMPOUND
Manual XrefsDatabases
C00028390KNApSAcK
C12181KEGG COMPOUND
Registry NumbersSources
CAS:1805-78-3KEGG COMPOUND