RefMet Compound Details

RefMet ID	RM0040597
MW structure	71896 (View MW Metabolite Database details)
RefMet name	Isorhamnetin
Systematic name	3,6,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromone
SMILES	COc1cc(ccc1O)c1c(c(=O)c2c(cc(cc2o1)O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	316.058305 (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	C16H12O7	View other entries in RefMet with this formula
InChI	InChI=1S/C16H12O7/c1-22-13-4-7(2-3-9(13)17)16-15(21)14(20)8-5-10(18)11(19)6-12(8)23-16/h2-6,17-19,21H,1H3
InChIKey	IZQSVPBOUDKVDZ-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Polyketides
Main Class	Flavonoids
Sub Class	Flavones and Flavonols
Pubchem CID	15817847
ChEBI ID	6052
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)