RefMet Compound Details

MW structure	26730 (View MW Metabolite Database details)
RefMet name	Chalconaringenin 2',4'-di-O-glucoside
Systematic name	4,2',4',6'-Tetrahydroxychalcone 2',4'-di-O-glucoside
SMILES	c1cc(ccc1/C=C/C(=O)c1c(cc(cc1O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](C O)O1)O)O)O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	596.174126 (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	C27H32O15	View other entries in RefMet with this formula
InChI	InChI=1S/C27H32O15/c28-9-17-20(33)22(35)24(37)26(41-17)39-13-7-15(32)19(14(31)6-3-11-1-4-12(30)5-2-11)16(8-13)40-27-25(38)23(36)21 (34)18(10-29)42-27/h1-8,17-18,20-30,32-38H,9-10H2/b6-3+/t17?,18?,20-,21-,22+,23+,24?,25?,26-,27-/m1/s1
InChIKey	QTLVRDBUJNNTDS-PSJWTLRASA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Polyketides
Main Class	Flavonoids
Sub Class	Chalcones
Pubchem CID	42607606
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)