RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0128460
RefMet name	Licoricidin
Systematic name	5,2',4'-Trihydroxy-7-methoxy-6,3'-diprenylisoflavan
Synonyms	PubChem Synonyms
Exact mass	424.224976 (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	C26H32O5	View other entries in RefMet with this formula
Molecular descriptors
Molfile	22930 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C26H32O5/c1-15(2)6-8-19-22(27)11-10-18(25(19)28)17-12-21-24(31-14-17)13-23(30-5)20(26(21)29)9-7-16(3)4/h6-8,10-11,13,15,1 7,27-29H,9,12,14H2,1-5H3/b8-6+
InChIKey	HWJXKLRHGKKFBY-SOFGYWHQSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC(C)/C=C/c1c(ccc(C2Cc3c(cc(c(CC=C(C)C)c3O)OC)OC2)c1O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Polyketides
Main Class	Flavonoids
Sub Class	Isoflavans
Distribution of Licoricidin 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 Licoricidin
External Links
Pubchem CID	44257516
LIPID MAPS	LMPK12080045
ChEBI ID	69082
KEGG ID	C16986
HMDB ID	HMDB0034183
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)