Exact Mass: 660.141
Exact Mass Matches: 660.141
Found 39 metabolites which its exact mass value is equals to given mass value 660.141,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(1S,3R,4S,5R)-4-[(4-carboxy-3-hydroxy-3-methylbutanoyl)oxy]-3,5-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1-hydroxycyclohexane-1-carboxylic acid
3,4-Di-O-caffeoyl-5-O-(3-hydroxy-3-methyl) glutaroyl quinic acid|3,4-dicaffeoyl-5-(3-hydroxy-3-methylglutaroyl)quinic acid
6-(beta-D-glucopyranosyl)oxy-7-[(7-hydroxy-2-oxo-2H-1-benzopyran-8-yl)oxy]-3-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-2H-1-benzopyran-2-one|daphneretusin B
3,4-methylenedioxy-4-methoxy-5-alpha-L-arabinopyranosyloxy-7-beta-D-glucopyranosyloxy-2,7-cycloligna-7,7-dien-9,9-olide|reticulatuside A
3-O--catechin-<5,6-e>-4beta-(3,4-dihydroxyphenyl)-dihydro-2(3H)-pyranone
(3R,5R)-4-(4-carboxy-3-hydroxy-3-methylbutanoyl)oxy-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxycyclohexane-1-carboxylic acid
(3R,5R)-4-(4-carboxy-3-hydroxy-3-methylbutanoyl)oxy-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxycyclohexane-1-carboxylic acid [IIN-based: Match]
(3R,5R)-4-(4-carboxy-3-hydroxy-3-methylbutanoyl)oxy-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxycyclohexane-1-carboxylic acid [IIN-based on: CCMSLIB00000848162]
(1S,3R,4S,5R)-4-[(4-carboxy-3-hydroxy-3-methylbutanoyl)oxy]-3,5-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1-hydroxycyclohexane-1-carboxylic acid_4.5\\%
(1S,3R,4S,5R)-4-[(4-carboxy-3-hydroxy-3-methylbutanoyl)oxy]-3,5-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1-hydroxycyclohexane-1-carboxylic acid_minor
(1S,3R,4S,5R)-4-[(4-carboxy-3-hydroxy-3-methylbutanoyl)oxy]-3,5-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1-hydroxycyclohexane-1-carboxylic acid_major
PEONIN CHLORIDE(SH)
Peonidin 3,5-diglucoside is a member of the class of compounds known as anthocyanidin-5-o-glycosides. Anthocyanidin-5-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position. Peonidin 3,5-diglucoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Peonidin 3,5-diglucoside can be found in chives, common grape, pineapple, and sea-buckthornberry, which makes peonidin 3,5-diglucoside a potential biomarker for the consumption of these food products.
Hexafluronium Bromide
D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents > D006584 - Hexamethonium Compounds D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
(s,s,s,s)-2,3-bis(2,5-dimethyl-phospholanyl)benzo[b]thiophene cyclooctadiene rho
[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
4-O-(4-Carboxy-3-hydroxy-3-methylbutanoyl)-3,5-di-O-caffeoylquinic acid
6,12-bis(3,4-dihydroxyphenyl)-8-hydroxy-4-oxo-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-13-yl 5-(3,4-dihydroxyphenyl)-3-hydroxypentanoate
4-{[(1s,2r,4s,6r)-2,6-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4-hydroxy-4-(methoxycarbonyl)cyclohexyl]oxy}-3-hydroxy-3-methyl-4-oxobutanoic acid
4-{2-hydroxy-4-[2-methoxy-3,5,6-trimethyl-4-(sulfooxy)benzoyloxy]-3,5,6-trimethylbenzoyloxy}-2-methoxy-3,5,6-trimethylbenzoic acid
3,4-di-o-caffeoyl-5-o-(3-hydroxy-3-methyl)glutaroyl quinicacid
{"Ingredient_id": "HBIN007459","Ingredient_name": "3,4-di-o-caffeoyl-5-o-(3-hydroxy-3-methyl)glutaroyl quinicacid","Alias": "NA","Ingredient_formula": "C31H32O16","Ingredient_Smile": "CC(CC(=O)O)(CC(=O)OC1CC(CC(C1OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)(C(=O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15026","TCMID_id": "5410","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,5-di-o-caffeoyl-4-o-(3-hydroxy-3-methyl)glutaroylquinicacid
{"Ingredient_id": "HBIN007671","Ingredient_name": "3,5-di-o-caffeoyl-4-o-(3-hydroxy-3-methyl)glutaroylquinicacid","Alias": "3,5-di-o-caffeoyl-4-o-(3-hydroxy-3-methyl)glutaroylquinic acid; (5R)-4-(3,5-dihydroxy-3-methyl-5-oxopentanoyl)oxy-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxycyclohexane-1-carboxylic acid; AC1NSUGU","Ingredient_formula": "C31H32O16","Ingredient_Smile": "CC(CC(=O)O)(CC(=O)OC1C(CC(CC1OC(=O)C=CC2=CC(=C(C=C2)O)O)(C(=O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15027;SMIT19166","TCMID_id": "30902;5411","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
