RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0029653
RefMet nameIndolin-2-one
Systematic name1,3-dihydro-2H-indol-2-one
SynonymsPubChem Synonyms
Exact mass133.052764 (neutral)
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View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC8H7NOView other entries in RefMet with this formula
Molecular descriptors
Molfile54435 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)
InChIKeyJYGFTBXVXVMTGB-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESc1ccc2c(c1)CC(=O)N2
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassAlkaloids
Main ClassTryptophan alkaloids
Sub ClassIndolines
Distribution of Indolin-2-one in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Indolin-2-one
External Links
Pubchem CID321710
ChEBI ID31697
KEGG IDC12312
HMDB IDHMDB0061918
MetaCyc IDCPD-6361
NPAtlas DBNP002938
Spectral data for Indolin-2-one standards
NP-MRD ID(NMR)View NMR spectra
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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