Exact Mass: 546.164

Exact Mass Matches: 546.164

Found 50 metabolites which its exact mass value is equals to given mass value 546.164, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Flavonol 3-O-rutinoside

Flavonol 3-O-[alpha-L-rhamnosyl-(1->6)-beta-D-glucoside]; Flavonol 3-O-rutinoside

C27H30O12 (546.1737)


   

GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate

N-{6-[({[3,4-dihydroxy-5-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)amino]-1-methoxy-1-oxohexan-2-yl}ethanecarboximidic acid

C19H29N7O10P (546.1713)


Gmp-n-epsilon-(n-alpha-acetyl lysine methyl ester) 5-phosphoramidate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Gmp-n-epsilon-(n-alpha-acetyl lysine methyl ester) 5-phosphoramidate can be found in a number of food items such as thistle, wax apple, okra, and hedge mustard, which makes gmp-n-epsilon-(n-alpha-acetyl lysine methyl ester) 5-phosphoramidate a potential biomarker for the consumption of these food products.

   

7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one

7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one

C27H30O12 (546.1737)


   

Acacetin 7-rutinoside

Acacetin 7-rutinoside

C27H30O12 (546.1737)


   

2-Demethylsteffimycin D

2-Demethylsteffimycin D

C27H30O12 (546.1737)


   

chrysin 6-C-(2-O-alpha-L-rhamnosyl)-beta-L-fucopyranoside

chrysin 6-C-(2-O-alpha-L-rhamnosyl)-beta-L-fucopyranoside

C27H30O12 (546.1737)


   

chrysin 6-C-beta-boivinopyranosyl-7-O-beta-D-glucopyranoside

chrysin 6-C-beta-boivinopyranosyl-7-O-beta-D-glucopyranoside

C27H30O12 (546.1737)


   

7-O-beta-D-glucopyranosyl-(1?6)-beta-D-glucopyranosyl-6,8-dimethoxy-7-hydroxycoumarin|nitensoside B

7-O-beta-D-glucopyranosyl-(1?6)-beta-D-glucopyranosyl-6,8-dimethoxy-7-hydroxycoumarin|nitensoside B

C23H30O15 (546.1585)


   

(7R,8R,8R)-4-demethyldeoxypodophyllotoxin 4-O-beta-D-glucopyranoside|4-Demethyldesoxypodophyllotoxin 4-O-beta-D-glucoside|4-demethyldesoxypodophyllotoxin beta-D-glucoside|4-demethyldesoxypodophyllotoxin-4-O-beta-D-glucoside|4-Demethyldesoxypodophyllotoxin-4-O-??-D-glucoside

(7R,8R,8R)-4-demethyldeoxypodophyllotoxin 4-O-beta-D-glucopyranoside|4-Demethyldesoxypodophyllotoxin 4-O-beta-D-glucoside|4-demethyldesoxypodophyllotoxin beta-D-glucoside|4-demethyldesoxypodophyllotoxin-4-O-beta-D-glucoside|4-Demethyldesoxypodophyllotoxin-4-O-??-D-glucoside

C27H30O12 (546.1737)


   

Anthracycline XF 1

Anthracycline XF 1

C27H30O12 (546.1737)


   

(-)-cappadoside

(-)-cappadoside

C27H30O12 (546.1737)


   

Bepotastine Besilate

Bepotastine Besilate

C27H31ClN2O6S (546.1591)


C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018926 - Anti-Allergic Agents Bepotastine besilate is a selective and orally active second-generation histamine H1 receptor antagonist, can suppress the expression of nerve growth factor (NGF). Bepotastine besilate has the potential for allergic rhinitis, allergic conjunctivitis and urticaria/pruritus research[1][2][3][4].

   

7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one

NCGC00179772-02!7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one

C27H30O12 (546.1737)


   

1,3,4-trihydroxy-5-[(E)-3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoyl]oxycyclohexane-1-carboxylic acid

NCGC00381240-01!1,3,4-trihydroxy-5-[(E)-3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoyl]oxycyclohexane-1-carboxylic acid

C27H30O12 (546.1737)


   

C27H30O12_Cyclohexanecarboxylic acid, 3-[[(2E)-3-[2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-5-benzofuranyl]-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy

NCGC00381240-02_C27H30O12_Cyclohexanecarboxylic acid, 3-[[(2E)-3-[2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-5-benzofuranyl]-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-

C27H30O12 (546.1737)


   

Cys Met Met Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

C22H34N4O6S3 (546.164)


   

Cys Met Tyr Met

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

C22H34N4O6S3 (546.164)


   

Cys Tyr Met Met

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

C22H34N4O6S3 (546.164)


   

Met Cys Met Tyr

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

C22H34N4O6S3 (546.164)


   

Met Cys Tyr Met

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

C22H34N4O6S3 (546.164)


   

Met Met Cys Tyr

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C22H34N4O6S3 (546.164)


   

Met Met Tyr Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C22H34N4O6S3 (546.164)


   

Met Tyr Cys Met

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C22H34N4O6S3 (546.164)


   

Met Tyr Met Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C22H34N4O6S3 (546.164)


   

Tyr Cys Met Met

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid

C22H34N4O6S3 (546.164)


   

Tyr Met Cys Met

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C22H34N4O6S3 (546.164)


   

Tyr Met Met Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C22H34N4O6S3 (546.164)


   

Daidzein 4,7-dirhamnoside

4-{7-[(6-Deoxy-?-L-mannopyranosyl)oxy]-4-oxo-4H-chromen-3-yl}phenyl 6-deoxy-?-L-mannopyranoside

C27H30O12 (546.1737)


   
   

1,4-dibromo-2,5-didecoxybenzene

1,4-dibromo-2,5-didecoxybenzene

C26H44Br2O2 (546.1708)


   

Pentaethylene glycol di(p-toluenesulfonate)

Pentaethylene glycol di(p-toluenesulfonate)

C24H34O10S2 (546.1593)


   

Pedunculosumoside D

Pedunculosumoside D

C27H30O12 (546.1737)


A homoflavonoid glycoside that is 5-prenylophioglonol attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has been isolated from the whole plants of Ophioglossum pedunculosum.

   

GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate

N-{6-[({[3,4-dihydroxy-5-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)amino]-1-methoxy-1-oxohexan-2-yl}ethanecarboximidic acid

C19H29N7O10P (546.1713)


Gmp-n-epsilon-(n-alpha-acetyl lysine methyl ester) 5-phosphoramidate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Gmp-n-epsilon-(n-alpha-acetyl lysine methyl ester) 5-phosphoramidate can be found in a number of food items such as thistle, wax apple, okra, and hedge mustard, which makes gmp-n-epsilon-(n-alpha-acetyl lysine methyl ester) 5-phosphoramidate a potential biomarker for the consumption of these food products. Gmp-n-ε-(n-α-acetyl lysine methyl ester) 5-phosphoramidate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Gmp-n-ε-(n-α-acetyl lysine methyl ester) 5-phosphoramidate can be found in a number of food items such as thistle, wax apple, okra, and hedge mustard, which makes gmp-n-ε-(n-α-acetyl lysine methyl ester) 5-phosphoramidate a potential biomarker for the consumption of these food products.

   

GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5-phosphoramidate

GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5-phosphoramidate

C19H29N7O10P- (546.1713)


   

[(5-acetamido-6-methoxy-6-oxohexyl)amino]-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate

[(5-acetamido-6-methoxy-6-oxohexyl)amino]-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate

C19H29N7O10P- (546.1713)


   

1,3,4-trihydroxy-5-[(E)-3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoyl]oxycyclohexane-1-carboxylic acid

1,3,4-trihydroxy-5-[(E)-3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoyl]oxycyclohexane-1-carboxylic acid

C27H30O12 (546.1737)


   

Merocyanine 540 anion

Merocyanine 540 anion

C26H32N3O6S2- (546.1732)


   

3,4,5-Trihydroxy-6-[3-hydroxy-2-(7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl)-5-methoxy-4-(3-methylbut-2-enyl)phenoxy]oxane-2-carboxylic acid

3,4,5-Trihydroxy-6-[3-hydroxy-2-(7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl)-5-methoxy-4-(3-methylbut-2-enyl)phenoxy]oxane-2-carboxylic acid

C27H30O12 (546.1737)


   

3,4,5-trihydroxy-6-[[4-hydroxy-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-5-yl]oxy]oxane-2-carboxylic acid

3,4,5-trihydroxy-6-[[4-hydroxy-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-5-yl]oxy]oxane-2-carboxylic acid

C27H30O12 (546.1737)


   

10-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy]-1,3,8,11-tetrahydroxy-9-methoxy-8-methyl-9,10-dihydro-7h-tetracene-5,12-dione

10-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy]-1,3,8,11-tetrahydroxy-9-methoxy-8-methyl-9,10-dihydro-7h-tetracene-5,12-dione

C27H30O12 (546.1737)


   

4'-demethyldesoxypodophyllotoxin-4-o-β-d-glucoside

NA

C27H30O12 (546.1737)


{"Ingredient_id": "HBIN010314","Ingredient_name": "4'-demethyldesoxypodophyllotoxin-4-o-\u03b2-d-glucoside","Alias": "NA","Ingredient_formula": "C27H30O12","Ingredient_Smile": "COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)C3C4C(CC5=CC6=C(C=C35)OCO6)COC4=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5074","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

2-phenyl-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-4-one

2-phenyl-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-4-one

C27H30O12 (546.1737)


   

10-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one

10-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one

C27H30O12 (546.1737)


   

(10r,11r,15r)-10-(3,5-dimethoxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one

(10r,11r,15r)-10-(3,5-dimethoxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one

C27H30O12 (546.1737)


   

(3e)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2h-1,3-benzodioxol-5-yl)methylidene]oxolan-2-one

(3e)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2h-1,3-benzodioxol-5-yl)methylidene]oxolan-2-one

C27H30O12 (546.1737)


   

(2s,3r,4s,5s,6r)-2-{[4-(2h-1,3-benzodioxol-5-yl)-2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{[4-(2h-1,3-benzodioxol-5-yl)-2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C27H30O12 (546.1737)


   

(3e,4r)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2h-1,3-benzodioxol-5-yl)methylidene]oxolan-2-one

(3e,4r)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2h-1,3-benzodioxol-5-yl)methylidene]oxolan-2-one

C27H30O12 (546.1737)


   

2-phenyl-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one

2-phenyl-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one

C27H30O12 (546.1737)


   

[8-acetyl-3-(benzoyloxy)-11,12-dihydroxy-13-(methoxycarbonyl)-9-methyl-4-oxo-5,14-dioxatetracyclo[8.5.0.0¹,⁶.0²,¹³]pentadecan-9-yl]acetic acid

[8-acetyl-3-(benzoyloxy)-11,12-dihydroxy-13-(methoxycarbonyl)-9-methyl-4-oxo-5,14-dioxatetracyclo[8.5.0.0¹,⁶.0²,¹³]pentadecan-9-yl]acetic acid

C27H30O12 (546.1737)


   

7-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3-(4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenyl)chromen-4-one

7-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3-(4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenyl)chromen-4-one

C27H30O12 (546.1737)