Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	51755
Common Name:	3-hydroxyindolin-2-one
Systematic Name:	3-hydroxy-1,3-dihydro-2H-indol-2-one
RefMet Name:	3-Hydroxyindolin-2-one
Synonyms:	3-hydroxy-2-indolinone; 3-hydroxyindolin-2-one; 3-hydroxyoxindole [PubChem Synonyms]
Exact Mass:	149.0477 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C8H7NO2
InChIKey:	SGZFJWQQBHYNNF-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Indoles and derivatives [C0000211]
ClassyFire subclass:	Indolines [C0001146]
ClassyFire direct parent:	Indolines [C0001146]
SMILES:	c1ccc2c(c1)C(C(=O)N2)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	6097
CHEBI ID:	28536
HMDB ID:	HMDB0240741
KEGG ID:	C11130
MetaCyc ID:	CPD-6362
Plant Metabolite Hub(Pmhub):	MS000016133

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y