Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	68818
Common Name:	3,4-Dihydroxy-3,4-dihydro-9-fluorenone
Systematic Name:	3,4-dihydroxy-3,4-dihydrofluoren-9-one
RefMet Name:	3,4-Dihydroxy-3,4-dihydro-9-fluorenone
Synonyms:	AC1L9AYS; 3-4DH3-4DH9FLUORENONE; 3,4-dihydroxy-3,4-dihydrofluoren-9-one; C07722 [PubChem Synonyms]
Exact Mass:	214.0630 (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:	C13H10O3
InChIKey:	NAUFEDHPWOGKDO-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Fluorenes [C0000020]
ClassyFire subclass:	Fluorenes [C0000020]
ClassyFire direct parent:	Aromatic homopolycyclic compounds
SMILES:	c1ccc2c(c1)C1=C(C=CC(C1O)O)C2=O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	441320
KEGG ID:	C07722
MetaCyc ID:	3-4DH3-4DH9FLUORENONE
Plant Metabolite Hub(Pmhub):	MS000019647

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