Exact Mass: 678.1585
Exact Mass Matches: 678.1585
Found 16 metabolites which its exact mass value is equals to given mass value 678.1585,
within given mass tolerance error 4.0E-5 dalton. Try search metabolite list with more accurate mass tolerance error
8.0E-6 dalton.
3,4,5-Tricaffeoylquinic acid
1,3,5-tricaffeoylquinic acid
TCQA cpd
(3R,5R)-3,4,5-tris{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1-hydroxycyclohexane-1-carboxylic acid is an alkyl caffeate ester and a quinic acid.
(3R,5R)-3,4,5-tris[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxycyclohexane-1-carboxylic acid
(1s,3r,4r,5r)-1,3,4-tris({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-5-hydroxycyclohexane-1-carboxylic acid
1,3,5-tri-o-caffeoylquinic acid
{"Ingredient_id": "HBIN001076","Ingredient_name": "1,3,5-tri-o-caffeoylquinic acid","Alias": "1,3,5-tri-O-caffeoylquinic acid; 1,3,5-tri-o-caffeoyl quinicacid","Ingredient_formula": "C34H30O15","Ingredient_Smile": "C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)O","Ingredient_weight": "678.6 g/mol","OB_score": "3.009449084","CAS_id": "NA","SymMap_id": "SMIT12546","TCMID_id": "21536;41086","TCMSP_id": "MOL011675","TCM_ID_id": "NA","PubChem_id": "10190081","DrugBank_id": "NA"}
