Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	69880
Common Name:	Stealthin C
Systematic Name:	11-amino-4,9-dihydroxy-2-methyl-11H-benzo[b]fluorene-5,10-dione
RefMet Name:	Stealthin C
Synonyms:	C12392; AC1L9F86 [PubChem Synonyms]
Exact Mass:	307.0845 (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:	C18H13NO4
InChIKey:	BNUJIESPRPGZOC-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Fluorenes [C0000020]
ClassyFire subclass:	Fluorenes [C0000020]
ClassyFire direct parent:	Aromatic homopolycyclic compounds
NP-MRD NMR spectra:	View NMR spectra
SMILES:	Cc1cc2c(c(c1)O)C1=C(C2N)C(=O)c2c(cccc2O)C1=O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	443803
CHEBI ID:	32153
KEGG ID:	C12392
NP-MRD ID(NMR):	NP0003901
Plant Metabolite Hub(Pmhub):	MS000023053

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