Exact Mass: 546.1751

Exact Mass Matches: 546.1751

Found 83 metabolites which its exact mass value is equals to given mass value 546.1751, 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)

1,5-a-L-Arabinotetraose

alpha-1,5-L-Arabinotetraose

C20H34O17 (546.1796)

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)

Xylotetraose

(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol

C20H34O17 (546.1796)

Xylotetraose is a tetrasaccharide comprised of four D-xylose residues connected by beta(1->4) linkages. Xylotetraose is a hydrolysis product of Xylan[1]. Xylan is a polysaccharide made from units of xylose and contains predominantly β-D-xylose units linked as in cellulose[2]. Xylotetraose can be used for enzyme biochemical analysis[1][3][4].

Paratunamide C

C26H30N2O11 (546.185)

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

C27H30O12 (546.1737)

2-Demethylsteffimycin D

C27H30O12 (546.1737)

O-alpha-L-Arabinofuranosyl-(1->3)-O-4)>-O-beta-D-xylopyranosyl-(1->4)-D-xylose|O-beta-D-xylopyranosyl-(1-4)-O-(alpha-L-arabinofuranosyl-(1-3))-O-beta-D-xylopyranosyl-(1-4)-D-xylopyranose|O-beta-D-xylopyranosyl-(1-4)-O--O-beta-D-xylopyranosyl-(1-4)-D-xylopyranose

O-alpha-L-Arabinofuranosyl-(1->3)-O-4)>-O-beta-D-xylopyranosyl-(1->4)-D-xylose|O-beta-D-xylopyranosyl-(1-4)-O-(alpha-L-arabinofuranosyl-(1-3))-O-beta-D-xylopyranosyl-(1-4)-D-xylopyranose|O-beta-D-xylopyranosyl-(1-4)-O--O-beta-D-xylopyranosyl-(1-4)-D-xylopyranose

C20H34O17 (546.1796)

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

C27H30O12 (546.1737)

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

C27H30O12 (546.1737)

O-alpha-L-Arabinofuranosyl-(1->3)-O-beta-D-xylopyranosyl-(1->4)-O-beta-D-xylopyranosyl-(1->4)-D-xylopyranose

C20H34O17 (546.1796)

(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)

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 Asp Phe Tyr

(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid

C25H30N4O8S (546.1784)

Cys Asp Tyr Phe

(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C25H30N4O8S (546.1784)

Cys Phe Asp Tyr

(3S)-3-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C25H30N4O8S (546.1784)

Cys Phe Tyr Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid

C25H30N4O8S (546.1784)

Cys Tyr Asp Phe

(3S)-3-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid

C25H30N4O8S (546.1784)

Cys Tyr Phe Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]butanedioic acid

C25H30N4O8S (546.1784)

Asp Cys Phe Tyr

(3S)-3-amino-3-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

C25H30N4O8S (546.1784)

Asp Cys Tyr Phe

(3S)-3-amino-3-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

C25H30N4O8S (546.1784)

Asp Phe Cys Tyr

(3S)-3-amino-3-{[(1S)-1-{[(1R)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid

C25H30N4O8S (546.1784)

Asp Phe Tyr Cys

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid

C25H30N4O8S (546.1784)

Asp Tyr Cys Phe

(3S)-3-amino-3-{[(1S)-1-{[(1R)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C25H30N4O8S (546.1784)

Asp Tyr Phe Cys

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C25H30N4O8S (546.1784)

Phe Cys Asp Tyr

(3S)-3-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C25H30N4O8S (546.1784)

Phe Cys Tyr Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]butanedioic acid

C25H30N4O8S (546.1784)

Phe Asp Cys Tyr

(3S)-3-[(2S)-2-amino-3-phenylpropanamido]-3-{[(1R)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

C25H30N4O8S (546.1784)

Phe Asp Tyr Cys

(3S)-3-[(2S)-2-amino-3-phenylpropanamido]-3-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C25H30N4O8S (546.1784)

Phe Tyr Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]butanedioic acid

C25H30N4O8S (546.1784)

Phe Tyr Asp Cys

(3S)-3-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid

C25H30N4O8S (546.1784)

Tyr Cys Asp Phe

(3S)-3-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid

C25H30N4O8S (546.1784)

Tyr Cys Phe Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]butanedioic acid

C25H30N4O8S (546.1784)

Tyr Asp Cys Phe

(3S)-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-{[(1R)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

C25H30N4O8S (546.1784)

Tyr Asp Phe Cys

(3S)-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid

C25H30N4O8S (546.1784)

Tyr Phe Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]butanedioic acid

C25H30N4O8S (546.1784)

Tyr Phe Asp Cys

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid

C25H30N4O8S (546.1784)

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)

BX-320

C23H31BrN8O3 (546.1702)

1,4-dibromo-2,5-didecoxybenzene

C26H44Br2O2 (546.1708)

1H-Isoindole-1,3(2H)-dione,5,5-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis[2-methyl-

C33H26N2O6 (546.1791)

Pyromellitic acid di(2-phenyl-2-imidazoline) salt

C28H26N4O8 (546.1751)

LY 393558

C26H31FN4O4S2 (546.1771)

2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-6-[[[6-methoxy-4-(trifluoromethyl)[1,1-biphenyl]-2-yl]carbonyl]amino]-, phenyl ester

C31H25F3N2O4 (546.1766)

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.

(1,4)-beta-Xylotetraose

C20H34O17 (546.1796)

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

C19H29N7O10P- (546.1713)

(1,3)-beta-Xylotetraose

C20H34O17 (546.1796)

[(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

C27H30O12 (546.1737)

Arabinotetraose

C20H34O17 (546.1796)

Merocyanine 540 anion

C26H32N3O6S2- (546.1732)

beta-D-Araf-(1->2)-alpha-D-Araf-(1->5)-alpha-D-Araf-(1->5)-alpha-D-Araf

C20H34O17 (546.1796)

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

C27H30O12 (546.1737)

alpha-1,5-L-Arabinotetraose

C20H34O17 (546.1796)

(3s,4s,4as)-7-{2-[(3s)-2,3-dihydroxyindol-3-yl]ethyl}-4-ethenyl-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,4h,4ah,5h-pyrano[3,4-c]pyridine-6,8-dione

C26H30N2O11 (546.185)

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

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"}