RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0200801
RefMet name	Indolmycin
Systematic name	(5R)-5-[(1S)-1-(1H-indol-3-yl)ethyl]-2-methylimino-1,3-oxazolidin-4-one
Synonyms	PubChem Synonyms
Exact mass	257.116427 (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	C14H15N3O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	103875 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C14H15N3O2/c1-8(12-13(18)17-14(15-2)19-12)10-7-16-11-6-4-3-5-9(10)11/h3-8,12,16H,1-2H3,(H,15,17,18)/t8-,12+/m0/s1
InChIKey	GNTVWGDQPXCYBV-QPUJVOFHSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[C@@H](c1c[nH]c2ccccc12)[C@@H]1C(=O)NC(=NC)O1 Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Alkaloids
Main Class	Tryptophan alkaloids
Sub Class	Other indoles
Distribution of Indolmycin 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 Indolmycin
External Links
Pubchem CID	136675463
ChEBI ID	79394
NPAtlas DB	NPA015391
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)