Exact Mass: 646.1301

Exact Mass Matches: 646.1301

Found 47 metabolites which its exact mass value is equals to given mass value 646.1301, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

(2S)-2-[[(2S)-2-[hydroxy-[(2R,3S,4S)-2,3,4-trihydroxy-5-(8-hydroxy-2,4-dioxo-1,5-dihydropyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl]oxypropanoyl]amino]pentanedioic acid

(2S)-2-[[(2S)-2-[hydroxy-[(2R,3S,4S)-2,3,4-trihydroxy-5-(8-hydroxy-2,4-dioxo-1,5-dihydropyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl]oxypropanoyl]amino]pentanedioic acid

C24H31N4O15P (646.1523)


   

Leucodelphinidin 3-[galactosyl-(1->4)-glucoside]

4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C27H34O18 (646.1745)


Leucodelphinidin 3-[galactosyl-(1->4)-glucoside] is found in fats and oils. Leucodelphinidin 3-[galactosyl-(1->4)-glucoside] is a constituent of Moringa oleifera (horseradish tree). *Constituent of Moringa oleifera (horseradish tree). Leucodelphinidin 3-[galactosyl-(1->4)-glucoside] is found in fats and oils, herbs and spices, and green vegetables.

   

Nitrosylhaem

Nitrosylhaem

C34H32FeN5O5 (646.1753)


Nitrosylhaem is found in animal foods. Nitrosylhaem is a pigment responsible for the pink colouration of cooked cured meat. Pigment responsible for the pink colouration of cooked cured meat. Nitrosylhaem is found in animal foods.

   

Mesocyanin

3-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-oxidophenyl)-1λ⁴-chromen-1-ylium hydrochloride

C27H31ClO16 (646.1301)


Mesocyanin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Mesocyanin can be found in sour cherry, which makes mesocyanin a potential biomarker for the consumption of this food product.

   
   

3-O-(E)-Caffeoyl-1,4-di-O-galloyl-beta-D-glucopyranose

3-O-(E)-Caffeoyl-1,4-di-O-galloyl-beta-D-glucopyranose

C29H26O17 (646.117)


   

1-O-(E)-Caffeoyl-3,4-di-O-galloyl-beta-D-glucopyranose

1-O-(E)-Caffeoyl-3,4-di-O-galloyl-beta-D-glucopyranose

C29H26O17 (646.117)


   

1-O-(E)-Caffeoyl-4,6-di-O-galloyl-beta-D-glucopyranose

(-)-1-O-(E)-Caffeoyl-4,6-di-O-galloyl-beta-D-glucopyranose

C29H26O17 (646.117)


   
   

Delphinidin O-rutinoside

Delphinidin O-rutinoside

C27H31ClO16 (646.1301)


   

scolochinenoside D

scolochinenoside D

C34H30O13 (646.1686)


   

1-O-(E)-caffeoyl-4,6-di-O-galloyl-beta-D-glucopyranose|1-O-(E)-Caffeoyl-4,6-di-O-galloyl-??-D-glucopyranose|1-O-[(E)-caffeoyl]-4,6-di-O-galloyl-beta-D-glucopyranose

1-O-(E)-caffeoyl-4,6-di-O-galloyl-beta-D-glucopyranose|1-O-(E)-Caffeoyl-4,6-di-O-galloyl-??-D-glucopyranose|1-O-[(E)-caffeoyl]-4,6-di-O-galloyl-beta-D-glucopyranose

C29H26O17 (646.117)


   
   
   

leucodelphinidin-3-O-beta-D-galactopyranosyl(1-->4)-O-beta-D-glucopyranoside

leucodelphinidin-3-O-beta-D-galactopyranosyl(1-->4)-O-beta-D-glucopyranoside

C27H34O18 (646.1745)


   

Tulipanin

(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol;chloride

C27H31ClO16 (646.1301)


   

Cyanidin 3-sophoroside chloride

(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride

C27H31ClO16 (646.1301)


   

Leucodelphinidin 3-[galactosyl-(1->4)-glucoside]

4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

C27H34O18 (646.1745)


   
   

tris(dibutylsulfide)rhodium trichloride

tris(dibutylsulfide)rhodium trichloride

C24H54Cl3RhS3 (646.1508)


   

Benzenesulfonic acid,2,2-(1,2-ethenediyl)bis[5-[2-(3,4-dihydroxyphenyl)diazenyl]-, ammonium salt(1:2)

Benzenesulfonic acid,2,2-(1,2-ethenediyl)bis[5-[2-(3,4-dihydroxyphenyl)diazenyl]-, ammonium salt(1:2)

C26H26N6O10S2 (646.1152)


   
   
   

CYTIDINE-2,3-MONOPHOSPHORIC ACID

CYTIDINE-2,3-MONOPHOSPHORIC ACID

C18H28N6O16P2 (646.1037)


   

2,6-Dibromo-N,N-di-n-octyl-1,8:4,5-naphthalenetetracarboxdiimide

2,6-Dibromo-N,N-di-n-octyl-1,8:4,5-naphthalenetetracarboxdiimide

C30H36Br2N2O4 (646.1042)


   

piprocurarium iodide

piprocurarium iodide

C23H40I2N2O3 (646.1128)


   

2-Amino-5-[[3-[[2-[(4-amino-4-carboxybutanoyl)amino]-3-(carboxymethylamino)-3-oxopropyl]trisulfanyl]-1-(carboxymethylamino)-1-hydroxypropan-2-yl]amino]-5-oxopentanoic acid

2-Amino-5-[[3-[[2-[(4-amino-4-carboxybutanoyl)amino]-3-(carboxymethylamino)-3-oxopropyl]trisulfanyl]-1-(carboxymethylamino)-1-hydroxypropan-2-yl]amino]-5-oxopentanoic acid

C20H34N6O12S3 (646.1397)


   

Guanosine 5-diphosphoric acid beta-[2-(acetylamino)-2-deoxy-alpha-D-glucopyranosyl] ester

Guanosine 5-diphosphoric acid beta-[2-(acetylamino)-2-deoxy-alpha-D-glucopyranosyl] ester

C18H28N6O16P2 (646.1037)


   
   
   

Cyanidin chloride 3,5-diglucoside

Cyanidin-3,5-O-diglucoside chloride

C27H31ClO16 (646.1301)


   

5-bromo-1-(4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)-4-hydroxypyrimidin-2-one

5-bromo-1-(4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl)-4-hydroxypyrimidin-2-one

C21H31BrN2O16 (646.0857)


   

1-o-(e)-caffeoyl-3,4-di-o-galloyl-β-d-gluco-pyranose

NA

C29H26O17 (646.117)


{"Ingredient_id": "HBIN002896","Ingredient_name": "1-o-(e)-caffeoyl-3,4-di-o-galloyl-\u03b2-d-gluco-pyranose","Alias": "NA","Ingredient_formula": "C29H26O17","Ingredient_Smile": "C1=CC(=C(C=C1C=CC(=O)OC2C(C(C(C(O2)CO)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2897","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

1-o-(e)-caffeoyl-4,6-di-o-galloyl-β-d-gluco-pyranose

NA

C29H26O17 (646.117)


{"Ingredient_id": "HBIN002899","Ingredient_name": "1-o-(e)-caffeoyl-4,6-di-o-galloyl-\u03b2-d-gluco-pyranose","Alias": "NA","Ingredient_formula": "C29H26O17","Ingredient_Smile": "C1=CC(=C(C=C1C=CC(=O)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2898","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

3-o-(e)-caffeoyl-1,4-di-o-galloyl-β-d-gluco-pyranose

NA

C29H26O17 (646.117)


{"Ingredient_id": "HBIN009315","Ingredient_name": "3-o-(e)-caffeoyl-1,4-di-o-galloyl-\u03b2-d-gluco-pyranose","Alias": "NA","Ingredient_formula": "C29H26O17","Ingredient_Smile": "C1=CC(=C(C=C1C=CC(=O)OC2C(C(OC(C2OC(=O)C3=CC(=C(C(=C3)O)O)O)CO)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2899","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

4-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl 3,4,5-trihydroxybenzoate

4-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl 3,4,5-trihydroxybenzoate

C29H26O17 (646.117)


   

(2s,3r,4r,5r,6r)-4-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl 3,4,5-trihydroxybenzoate

(2s,3r,4r,5r,6r)-4-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl 3,4,5-trihydroxybenzoate

C29H26O17 (646.117)


   

methyl 2-[(3s)-8-[(3r)-9,10-dihydroxy-7-methoxy-1-oxo-3-(2-oxopropyl)-3h,4h-naphtho[2,3-c]pyran-8-yl]-9,10-dihydroxy-7-methoxy-1-oxo-3h,4h-naphtho[2,3-c]pyran-3-yl]acetate

methyl 2-[(3s)-8-[(3r)-9,10-dihydroxy-7-methoxy-1-oxo-3-(2-oxopropyl)-3h,4h-naphtho[2,3-c]pyran-8-yl]-9,10-dihydroxy-7-methoxy-1-oxo-3h,4h-naphtho[2,3-c]pyran-3-yl]acetate

C34H30O13 (646.1686)


   

6-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-5-hydroxy-2-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 3,4,5-trihydroxybenzoate

6-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-5-hydroxy-2-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 3,4,5-trihydroxybenzoate

C29H26O17 (646.117)


   

methyl 2-hydroxy-4-{2-hydroxy-4-[2-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyloxy)-6-methylbenzoyloxy]-6-methylbenzoyloxy}-6-methylbenzoate

methyl 2-hydroxy-4-{2-hydroxy-4-[2-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyloxy)-6-methylbenzoyloxy]-6-methylbenzoyloxy}-6-methylbenzoate

C34H30O13 (646.1686)


   

4,5-dihydroxy-2-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methoxy}oxan-3-yl 3,4,5-trihydroxybenzoate

4,5-dihydroxy-2-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methoxy}oxan-3-yl 3,4,5-trihydroxybenzoate

C26H30O19 (646.1381)


   

(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methoxy}oxan-3-yl 3,4,5-trihydroxybenzoate

(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methoxy}oxan-3-yl 3,4,5-trihydroxybenzoate

C26H30O19 (646.1381)


   

(6-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl)methyl 3,4,5-trihydroxybenzoate

(6-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl)methyl 3,4,5-trihydroxybenzoate

C29H26O17 (646.117)


   

methyl 2-{8-[9,10-dihydroxy-7-methoxy-1-oxo-3-(2-oxopropyl)-3h,4h-naphtho[2,3-c]pyran-8-yl]-9,10-dihydroxy-7-methoxy-1-oxo-3h,4h-naphtho[2,3-c]pyran-3-yl}acetate

methyl 2-{8-[9,10-dihydroxy-7-methoxy-1-oxo-3-(2-oxopropyl)-3h,4h-naphtho[2,3-c]pyran-8-yl]-9,10-dihydroxy-7-methoxy-1-oxo-3h,4h-naphtho[2,3-c]pyran-3-yl}acetate

C34H30O13 (646.1686)


   

[(2r,3s,4r,5r,6s)-6-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

[(2r,3s,4r,5r,6s)-6-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C29H26O17 (646.117)


   

(2r,3r,4r,5r,6s)-6-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-5-hydroxy-2-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 3,4,5-trihydroxybenzoate

(2r,3r,4r,5r,6s)-6-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-5-hydroxy-2-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 3,4,5-trihydroxybenzoate

C29H26O17 (646.117)