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CHEBI:5541 - Graveoline

ChEBI IDCHEBI:5541
ChEBI NameGraveoline
Stars
Last Modified25 February 2016
DownloadsMolfile
FormulaC17H13NO3
Net Charge0
Average Mass279.295
Monoisotopic Mass279.08954
SMILESCn1c(-c2ccc3c(c2)OCO3)cc(=O)c2ccccc21
InChIInChI=1S/C17H13NO3/c1-18-13-5-3-2-4-12(13)15(19)9-14(18)11-6-7-16-17(8-11)21-10-20-16/h2-9H,10H2,1H3
InChIKeyCOBBNRKBTCBWQP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Graveoline (CHEBI:5541) is a quinolines (CHEBI:26513)
Synonym  Source
GraveolineKEGG COMPOUND
Manual XrefsDatabases
C10689KEGG COMPOUND
C00002169KNApSAcK
LSM-4078LINCS
HMDB0033480HMDB
Registry NumbersSources
CAS:485-61-0KEGG COMPOUND