RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0013095
RefMet name	Bisdemethoxycurcumin
Systematic name	(1E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
Synonyms	PubChem Synonyms
Exact mass	308.104860 (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	C19H16O4	View other entries in RefMet with this formula
Molecular descriptors
Molfile	38028 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-12,20-21H,13H2/b11-5+,12-6+
InChIKey	PREBVFJICNPEKM-YDWXAUTNSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1cc(ccc1/C=C/C(=O)CC(=O)/C=C/c1ccc(cc1)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Polyketides
Main Class	Diarylheptanoids
Sub Class	Curcuminoids
Distribution of Bisdemethoxycurcumin 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 Bisdemethoxycurcumin
External Links
Pubchem CID	5315472
ChEBI ID	71045
KEGG ID	C17743
HMDB ID	HMDB0002114
Chemspider ID	4474770
EPA CompTox	DTXCID40813611
PhytoHub DB	PHUB001671
Spectral data for Bisdemethoxycurcumin standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)