RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0160036
RefMet name	Tetrangomycin
Systematic name	(3R)-3,8-dihydroxy-3-methyl-3,4-dihydrotetraphene-1,7,12(2H)-trione
Synonyms	PubChem Synonyms
Exact mass	322.084125 (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+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C19H14O5	View other entries in RefMet with this formula
Molecular descriptors
Molfile	54516 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C19H14O5/c1-19(24)7-9-5-6-11-16(14(9)13(21)8-19)18(23)10-3-2-4-12(20)15(10)17(11)22/h2-6,20,24H,7-8H2,1H3/t19-/m1/s1
InChIKey	UGEKKXLEYACFTD-LJQANCHMSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[C@]1(Cc2ccc3c(c2C(=O)C1)C(=O)c1cccc(c1C3=O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Polyketides
Main Class	Angucyclines
Sub Class	Angucyclines
Distribution of Tetrangomycin in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Tetrangomycin
External Links
Pubchem CID	11738774
ChEBI ID	32211
KEGG ID	C12396
NPAtlas DB	NP012713
Spectral data for Tetrangomycin standards
NP-MRD ID(NMR)	View NMR spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)