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CHEBI:168257 - M2 di-hydroxylated metabolite

ChEBI IDCHEBI:168257
ChEBI NameM2 di-hydroxylated metabolite
Stars
Last Modified17 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28FN3O3
Net Charge0
Average Mass425.504
Monoisotopic Mass425.21147
SMILESCNC(=O)C(O)c1cc(O)c2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1
InChIInChI=1S/C24H28FN3O3/c1-26-24(31)23(30)17-14-21-19(22(29)15-17)9-13-28(21)18-7-11-27(12-8-18)10-6-16-4-2-3-5-20(16)25/h2-5,9,13-15,18,23,29-30H,6-8,10-12H2,1H3,(H,26,31)
InChIKeyKMSSEFLPBNDJAH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
M2 di-hydroxylated metabolite (CHEBI:168257) is a indoles (CHEBI:24828)
IUPAC Name 
2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-4-hydroxyindol-6-yl]-2-hydroxy-N-methylacetamide
Manual XrefsDatabases
HMDB0061046HMDB
35031835ChemSpider