Exact Mass: 678.1186792

Exact Mass Matches: 678.1186792

Found 29 metabolites which its exact mass value is equals to given mass value 678.1186792, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

auranofin

auranofin

C20H34AuO9PS (678.1326664000001)


M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01C - Specific antirheumatic agents > M01CB - Gold preparations D018501 - Antirheumatic Agents Same as: D00237

   

Auranofin

[(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-{[(triethyl-lambda5-phosphanylidene)aurio]sulfanyl}oxan-2-yl]methyl acetate

C20H34AuO9PS (678.1326664000001)


Auranofin is only found in individuals that have used or taken this drug. It is a organogold compound classified by the World Health Organization as an antirheumatic agent. Auranofin appears to induce heme oxygenase 1 (HO-1) mRNA. Heme oxygenase 1 is an inducible heme-degrading enzyme with anti-inflammatory properties.Exactly how auranofin works is not well understood. It may act as an inhibitor of kappab kinase and thioredoxin reductase which would lead to a decreased immune response and decreased free radical production, respectively. In patients with inflammatory arthritis, such as adult and juvenile rheumatoid arthritis, gold salts can decrease the inflammation of the joint lining. This effect can prevent destruction of bone and cartilage.

   

3,4,5-Tricaffeoylquinic acid

3,4,5-tris({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1-hydroxycyclohexane-1-carboxylic acid

C34H30O15 (678.158463)


   

1,3,5-tricaffeoylquinic acid

(3R,5R)-1,3,5-Tris[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-4-hydroxycyclohexane-1-carboxylic acid

C34H30O15 (678.158463)


   

3,4,5-Tricaffeoylquinic acid

1,3,5-Tri-O-caffeoylquinic acid

C34H30O15 (678.158463)


   
   
   

1,4,5-Tri-O-caffeoylquinic acid

1,4,5-Tri-O-caffeoylquinic acid

C34H30O15 (678.158463)


   

TCQA cpd

Cyclohexanecarboxylic acid, 3,4,5-tris(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1-hydroxy-, (1alpha,3R,4alpha,5R)-

C34H30O15 (678.158463)


(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

NCGC00169736-02!(3R,5R)-3,4,5-tris[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxycyclohexane-1-carboxylic acid

C34H30O15 (678.158463)


   

Tricaffeoyl quinic acid

Tricaffeoyl quinic acid

C34H30O15 (678.158463)


Annotation level-3

   

delphinidin-3-O-(6-p-coumaryl)glucoside pyruvic acid

delphinidin-3-O-(6-p-coumaryl)glucoside pyruvic acid

C33H26O16 (678.1220796)


   

2-[(4 4 5 5 6 6 7 7 8 8 9 9 10 10 11 11

2-[(4 4 5 5 6 6 7 7 8 8 9 9 10 10 11 11

C22H15F17N2O3 (678.0811164)


   

disodium [(9,10-dihydro-9,10-dioxo-1,4-anthrylene)diimino]bis[ethyltoluenesulphonate]

disodium [(9,10-dihydro-9,10-dioxo-1,4-anthrylene)diimino]bis[ethyltoluenesulphonate]

C32H28N2Na2O8S2 (678.1082408000001)


   

2,2-Stilbenedisulfonic acid, 4,4-bis((4-amino-1-naphthyl)azo)-

2,2-Stilbenedisulfonic acid, 4,4-bis((4-amino-1-naphthyl)azo)-

C34H26N6O6S2 (678.1355176000002)


   

[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate

[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate

C21H26N7O15P2- (678.0962086000001)


   

[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-(3-hydroxypropanoylamino)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-(3-hydroxypropanoylamino)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

C20H32N4O18P2 (678.1186792)


   

(1s,3r,4r,5r)-1,3,4-tris({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-5-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

C34H30O15 (678.158463)


   

1,3,5-tri-o-caffeoylquinic acid

1,3,5-tri-O-caffeoylquinic acid; 1,3,5-tri-o-caffeoyl quinicacid

C34H30O15 (678.158463)


{"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"}

   

1,3,4-tris({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-5-hydroxycyclohexane-1-carboxylic acid

1,3,4-tris({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-5-hydroxycyclohexane-1-carboxylic acid

C34H30O15 (678.158463)


   

(1s,3r,4s,5r)-3,4,5-tris({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1-hydroxycyclohexane-1-carboxylic acid

(1s,3r,4s,5r)-3,4,5-tris({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1-hydroxycyclohexane-1-carboxylic acid

C34H30O15 (678.158463)


   

(1s,3r,4s,5r)-1,3,5-tris({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4-hydroxycyclohexane-1-carboxylic acid

(1s,3r,4s,5r)-1,3,5-tris({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4-hydroxycyclohexane-1-carboxylic acid

C34H30O15 (678.158463)


   

1,3,5-tris({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4-hydroxycyclohexane-1-carboxylic acid

1,3,5-tris({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4-hydroxycyclohexane-1-carboxylic acid

C34H30O15 (678.158463)


   

(2r,3r,6r)-6-(carboxymethyl)-12-({[(2r,3s,4s,5r,6s)-6-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}carbonyl)-9,10-dihydroxy-5-oxo-4,7-dioxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-3-carboxylic acid

(2r,3r,6r)-6-(carboxymethyl)-12-({[(2r,3s,4s,5r,6s)-6-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}carbonyl)-9,10-dihydroxy-5-oxo-4,7-dioxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-3-carboxylic acid

C29H26O19 (678.1068246)


   

(1r,3r,4r,5r)-3,4,5-tris({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1-hydroxycyclohexane-1-carboxylic acid

(1r,3r,4r,5r)-3,4,5-tris({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1-hydroxycyclohexane-1-carboxylic acid

C34H30O15 (678.158463)