RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0187323
RefMet name	Pterostilbene
Systematic name	4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol
Synonyms	PubChem Synonyms
Exact mass	256.109945 (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	C16H16O3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	27956 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	VLEUZFDZJKSGMX-ONEGZZNKSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	COc1cc(/C=C/c2ccc(cc2)O)cc(c1)OC Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Polyketides
Main Class	Aromatic polyketides
Sub Class	Stilbenes
Distribution of Pterostilbene 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 Pterostilbene
External Links
Pubchem CID	5281727
LIPID MAPS	LMPK13090015
ChEBI ID	8630
KEGG ID	C10287
HMDB ID	HMDB0130987
MetaCyc ID	CPD-6959
EPA CompTox	DTXCID20809739
PhytoHub DB	PHUB000323
Spectral data for Pterostilbene standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)