RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0186840
RefMet name	Avenanthramide 2p
Systematic name	(Z)-N-Coumaroyl-5-hydroxyanthranilic acid
Synonyms	PubChem Synonyms
Exact mass	299.079373 (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	C16H13NO5	View other entries in RefMet with this formula
Molecular descriptors
Molfile	48253 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	QGUMNWHANDITDB-FPYGCLRLSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1cc(ccc1/C=C/C(=O)Nc1ccc(cc1C(=O)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	Phenylpropanoids
Sub Class	Cinnamic acids
Distribution of Avenanthramide 2p 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 Avenanthramide 2p
External Links
Pubchem CID	5281157
ChEBI ID	2939
KEGG ID	C08472
HMDB ID	HMDB0038577
Chemspider ID	4444597
PhytoHub DB	PHUB000571
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)