Exact Mass: 608.090652

Exact Mass Matches: 608.090652

Found 59 metabolites which its exact mass value is equals to given mass value 608.090652, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

6'-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin

5-[(6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

C27H28O16 (608.1377288)


6-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin is found in fruits. 6-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin is isolated from fruits of Rubus species. Isolated from fruits of Rubus subspecies 6-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin is found in fruits.

   

Prodelphinidin A1

5,13-bis(3,4,5-trihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaene-6,9,17,19,21-pentol

C30H24O14 (608.1166003999999)


Prodelphinidin A1 is found in fruits. Prodelphinidin A1 is a constituent of Phyllanthus emblica (emblic) Constituent of Phyllanthus emblica (emblic). Prodelphinidin A1 is found in fruits.

   

Kaempferol 3-rhamnoside 7-galacturonide

3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid

C27H28O16 (608.1377288)


Kaempferol 3-rhamnoside 7-galacturonide is found in coffee and coffee products. Kaempferol 3-rhamnoside 7-galacturonide is isolated from Silybum marianum (milk thistle). Kaempferol 3-rhamnoside 7-galacturonide is a natural flavonoid that has been isolated from tea, broccoli, Delphinium, Witch-hazel, grapefruit, brussel sprouts, apples and other plant sources. Kaempferol 3-rhamnoside 7-galacturonide is a yellow crystalline solid with a melting point of 276-278 °C. It is slightly soluble in water but soluble in hot ethanol and diethyl ether. Isolated from Silybum marianum (milk thistle). Kaempferol 3-rhamnoside 7-galacturonide is found in coffee and coffee products and green vegetables.

   

C.I. Food Brown 3

4-[(e)-2-[2,6-Dihydroxy-3-(hydroxymethyl)-5-[(e)-2-(4-sulphonaphthalen-1-yl)diazen-1-yl]phenyl]diazen-1-yl]naphthalene-1-sulphonic acid

C27H20N4O9S2 (608.067167)


C.I. Food Brown 3 is a food colourant. Prohibited in USA, France, Norway and Sweden. Food colourant. Prohibited in USA, France, Norway and Sweden

   

Apigenin 7-glucuronosyl-glucoside

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methoxy}oxane-2-carboxylic acid

C27H28O16 (608.1377288)


Apigenin 7-glucuronosyl-glucoside is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Apigenin 7-glucuronosyl-glucoside can be found in cumin, which makes apigenin 7-glucuronosyl-glucoside a potential biomarker for the consumption of this food product.

   

Luteolin 7-glucuronylglucoside

(2S,3S,4S,5R,6R)-6-{[(2S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-4,5-dihydroxyoxan-2-yl]methoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

C27H28O16 (608.1377288)


Luteolin 7-glucuronylglucoside is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Luteolin 7-glucuronylglucoside can be found in cumin, which makes luteolin 7-glucuronylglucoside a potential biomarker for the consumption of this food product.

   

Cosmosiin galacturonide

(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methoxy}oxane-2-carboxylic acid

C27H28O16 (608.1377288)


Isolated from Cuminum cyminum (cumin). Cosmosiin galacturonide is found in herbs and spices.

   

6-Hydroxyluteolin 7-[4-(3-hydroxy-3-methylglutaryl)glucoside]

6-Hydroxyluteolin 7-[4-(3-hydroxy-3-methylglutaryl)glucoside]

C27H28O16 (608.1377288)


   

Luteolin 7-glucuronide-4-rhamnoside

4- (alpha-L-Rhamnopyranosyloxy) -7- (beta-D-glucopyranuronosyloxy) -3,5-dihydroxyflavone

C27H28O16 (608.1377288)


   

6-Hydroxyluteolin 7-[6-(3-hydroxy-3-methylglutaryl)glucoside]

5,6,7,3,4-Pentahydroxyflavone 7- [ 6"- (3-hydroxy-3-methylglutaryl) glucoside ]

C27H28O16 (608.1377288)


   

6-Hydroxyluteolin 7-[3-(3-hydroxy-3-methylglutaryl)glucoside]

5,6,7,3,4-Pentahydroxyflavone 7- [ 3"- (3-hydroxy-3-methylglutaryl) glucoside ]

C27H28O16 (608.1377288)


   
   

apigenin 7-(glucosylglucuronide)

apigenin 7-(glucosylglucuronide)

C27H28O16 (608.1377288)


   

1,2,6-tri-O-galloyl-beta-D-glucose

1,2,6-tri-O-galloyl-beta-D-glucose

C26H24O17 (608.1013454)


   

kaempferol 3-O-alpha-L-rhamnose 7-O-beta-D-galacturonide

kaempferol 3-O-alpha-L-rhamnose 7-O-beta-D-galacturonide

C27H28O16 (608.1377288)


   

6-O-[(S)-3-hydroxy-3-methylglutaroyl]-isoorientin

6-O-[(S)-3-hydroxy-3-methylglutaroyl]-isoorientin

C27H28O16 (608.1377288)


   
   

1-O-Galloyl-3-O-brevifolincarboxyl-beta-D-glucopyranose

1-O-Galloyl-3-O-brevifolincarboxyl-beta-D-glucopyranose

C26H24O17 (608.1013454)


   

kaempferol 3-O-(2-alpha-L-rhamnopyranosyl)-beta-D-glucuronopyranoside|kaempferol 3-O-(2-O-alpha-L-rhamnopyranosyl)-beta-D-glucuronopyranoside|Kaempferol 3-O-(2-??-rhamnopyranosyl)-??-glucuronopyranoside|kaempferol 3-O-beta-(2-O-alpha-L-rhamnopyranosyl)glucopyranoside uronic acid

kaempferol 3-O-(2-alpha-L-rhamnopyranosyl)-beta-D-glucuronopyranoside|kaempferol 3-O-(2-O-alpha-L-rhamnopyranosyl)-beta-D-glucuronopyranoside|Kaempferol 3-O-(2-??-rhamnopyranosyl)-??-glucuronopyranoside|kaempferol 3-O-beta-(2-O-alpha-L-rhamnopyranosyl)glucopyranoside uronic acid

C27H28O16 (608.1377288)


   

quercetin-3-O-pentosyl(1-2)acetylpentoside

quercetin-3-O-pentosyl(1-2)acetylpentoside

C27H28O16 (608.1377288)


   

Kaempferol 3-rhamnoside-7-galacturonide

Kaempferol 3-rhamnoside-7-galacturonide

C27H28O16 (608.1377288)


   

Quercetin 3-[6-(3-hydroxy-3-methylglutaryl)galactoside]

Quercetin 3-[6-(3-hydroxy-3-methylglutaryl)galactoside]

C27H28O16 (608.1377288)


   

Prodelphinidin A1

5,13-bis(3,4,5-trihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0^{2,11}.0^{3,8}.0^{15,20}]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol

C30H24O14 (608.1166003999999)


   

Brown HT

4-[(E)-2-[2,4-dihydroxy-5-(hydroxymethyl)-3-[(E)-2-(4-sulfonaphthalen-1-yl)diazen-1-yl]phenyl]diazen-1-yl]naphthalene-1-sulfonic acid

C27H20N4O9S2 (608.067167)


   

Kaempferol 3-rhamnoside 7-galacturonide

3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid

C27H28O16 (608.1377288)


   

6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin

5-[(6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

C27H28O16 (608.1377288)


   

Zinc bis(dibenzylcarbamodithioate)

Zinc bis(dibenzylcarbamodithioate)

C30H28N2S4Zn (608.0426698)


   

Vidupiprant

Vidupiprant

C28H27Cl2FN2O6S (608.0950834)


C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent C308 - Immunotherapeutic Agent > C574 - Immunosuppressant C177182 - Prostaglandin Receptor Antagonist

   
   
   
   

Cosmosiin galacturonide

Cosmosiin galacturonide

C27H28O16 (608.1377288)


   

Luteolin 7-glucuronylglucoside

Luteolin 7-glucuronylglucoside

C27H28O16 (608.1377288)


   

Apigenin 7-glucuronosyl-glucoside

Apigenin 7-glucuronosyl-glucoside

C27H28O16 (608.1377288)


   

1,1,1-trifluoro-N-[4-[2-[4-[2-[3-(trifluoromethylsulfonylamino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]methanesulfonamide

1,1,1-trifluoro-N-[4-[2-[4-[2-[3-(trifluoromethylsulfonylamino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]methanesulfonamide

C26H26F6N2O4S2 (608.1238108000001)


   

3,4,5-Trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-yl]oxyoxane-2-carboxylic acid

3,4,5-Trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-yl]oxyoxane-2-carboxylic acid

C27H28O16 (608.1377288)


   

(2S,3R,4S,5R,6S)-3,5-dihydroxy-6-[[(8R,9S,13S,14S,17S)-13-methyl-17-sulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-sulfooxyoxane-2-carboxylic acid

(2S,3R,4S,5R,6S)-3,5-dihydroxy-6-[[(8R,9S,13S,14S,17S)-13-methyl-17-sulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-sulfooxyoxane-2-carboxylic acid

C24H32O14S2 (608.1233412)


   

4-[(5R)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methyl]-2-methylbenzamide

4-[(5R)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methyl]-2-methylbenzamide

C28H23BCl2F4N2O4 (608.1063975999999)


   

XL041

XL041

C29H28Cl2F2N2O4S (608.1114812000001)


XL041 (BMS-852927) is an LXRβ-selective agonist.

   

(3r)-5-{[(2r,3s,4s,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-hydroxy-3-methyl-5-oxopentanoic acid

(3r)-5-{[(2r,3s,4s,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-hydroxy-3-methyl-5-oxopentanoic acid

C27H28O16 (608.1377288)


   

apigenin-7-o-β-d-(4''-caffeoyl)glucuronide

NA

C30H24O14 (608.1166003999999)


{"Ingredient_id": "HBIN016450","Ingredient_name": "apigenin-7-o-\u03b2-d-(4''-caffeoyl)glucuronide","Alias": "NA","Ingredient_formula": "C30H24O14","Ingredient_Smile": "C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)OC(=O)C=CC5=CC(=C(C=C5)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14330","TCMID_id": "1483","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(1r,5r,6s,13s,21r)-5,13-bis(3,4,5-trihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaene-6,9,17,19,21-pentol

(1r,5r,6s,13s,21r)-5,13-bis(3,4,5-trihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaene-6,9,17,19,21-pentol

C30H24O14 (608.1166003999999)


   

(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylate

(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylate

C27H28O16 (608.1377288)


   

4,5-dihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]-2-(3,4,5-trihydroxyphenoxy)oxan-3-yl 3,4,5-trihydroxybenzoate

4,5-dihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]-2-(3,4,5-trihydroxyphenoxy)oxan-3-yl 3,4,5-trihydroxybenzoate

C26H24O17 (608.1013454)


   

3,4,5-trihydroxy-6-{[8-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-6-yl]oxy}oxane-2-carboxylic acid

3,4,5-trihydroxy-6-{[8-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-6-yl]oxy}oxane-2-carboxylic acid

C27H28O16 (608.1377288)


   

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylate

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylate

C27H28O16 (608.1377288)


   

(2s,3r,4s,5r,6s)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-7-yl]oxy}oxane-2-carboxylic acid

(2s,3r,4s,5r,6s)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-7-yl]oxy}oxane-2-carboxylic acid

C27H28O16 (608.1377288)


   

(2z)-2-amino-n-[(1s)-2-(6-bromo-1h-indol-3-yl)-1-{[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-c-hydroxycarbonimidoyl}ethyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enimidic acid

(2z)-2-amino-n-[(1s)-2-(6-bromo-1h-indol-3-yl)-1-{[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-c-hydroxycarbonimidoyl}ethyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enimidic acid

C28H25BrN4O7 (608.090652)


   

(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]-2-(3,4,5-trihydroxyphenoxy)oxan-3-yl 3,4,5-trihydroxybenzoate

(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]-2-(3,4,5-trihydroxyphenoxy)oxan-3-yl 3,4,5-trihydroxybenzoate

C26H24O17 (608.1013454)


   

(2s,3r,4s,5r,6s)-3,4,5-trihydroxy-6-{[8-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-6-yl]oxy}oxane-2-carboxylic acid

(2s,3r,4s,5r,6s)-3,4,5-trihydroxy-6-{[8-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-6-yl]oxy}oxane-2-carboxylic acid

C27H28O16 (608.1377288)


   

12-(4,4-dichloropentyl)-5-hydroxy-16-(2-hydroxybutan-2-yl)-13-methyl-3,11,15-trioxa-7,18-dithia-20,21-diazatricyclo[15.2.1.1⁶,⁹]henicosa-1(19),6(21),8,17(20)-tetraene-2,10,14-trione

12-(4,4-dichloropentyl)-5-hydroxy-16-(2-hydroxybutan-2-yl)-13-methyl-3,11,15-trioxa-7,18-dithia-20,21-diazatricyclo[15.2.1.1⁶,⁹]henicosa-1(19),6(21),8,17(20)-tetraene-2,10,14-trione

C24H30Cl2N2O8S2 (608.0820560000001)


   

(2e)-2-amino-n-[(1s)-2-(6-bromo-1h-indol-3-yl)-1-{[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-c-hydroxycarbonimidoyl}ethyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enimidic acid

(2e)-2-amino-n-[(1s)-2-(6-bromo-1h-indol-3-yl)-1-{[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-c-hydroxycarbonimidoyl}ethyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enimidic acid

C28H25BrN4O7 (608.090652)


   

(2s,3s,4s,5r,6s)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-3,4-dihydroxy-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxane-2-carboxylic acid

(2s,3s,4s,5r,6s)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-3,4-dihydroxy-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxane-2-carboxylic acid

C27H28O16 (608.1377288)


   

6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid

6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid

C27H28O16 (608.1377288)