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CHEBI:183678 - 2-{[(9H-9-fluorenylmethoxy)carbonyl]amino}benzoic acid

Default Structure
ChEBI IDCHEBI:183678
ChEBI Name2-{[(9H-9-fluorenylmethoxy)carbonyl]amino}benzoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H17NO4
Net Charge0
Average Mass359.381
Monoisotopic Mass359.11576
SMILESO=C(Nc1ccccc1C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H17NO4/c24-21(25)18-11-5-6-12-20(18)23-22(26)27-13-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-12,19H,13H2,(H,23,26)(H,24,25)
InChIKeyCNAVPEPPAVHHKN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
2-{[(9H-9-fluorenylmethoxy)carbonyl]amino}benzoic acid (CHEBI:183678) is a fluorenes (CHEBI:24059)
IUPAC Name 
2-(9H-luoren-9-ylmethoxycarbonylamino)benzoic acid
Manual XrefsDatabases
848108ChemSpider