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CHEBI:230598 - aplindore

Default Structure
ChEBI IDCHEBI:230598
ChEBI Nameaplindore
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18N2O3
Net Charge0
Average Mass310.353
Monoisotopic Mass310.13174
SMILESO=C1Cc2c(ccc3c2O[C@@H](CNCc2ccccc2)CO3)N1
InChIInChI=1S/C18H18N2O3/c21-17-8-14-15(20-17)6-7-16-18(14)23-13(11-22-16)10-19-9-12-4-2-1-3-5-12/h1-7,13,19H,8-11H2,(H,20,21)/t13-/m0/s1
InChIKeyDYJIKHYBKVODAC-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
aplindore (CHEBI:230598) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(2S)-2-[(benzylamino)methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one
Manual XrefsDatabases
139676ChemSpider
DB06620DrugBank