Exact Mass: 646.1128

Exact Mass Matches: 646.1128

Found 42 metabolites which its exact mass value is equals to given mass value 646.1128, 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

C24H31N4O15P (646.1523)

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

C29H26O17 (646.117)

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)

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)

humarin

C26H30O19 (646.1381)

N(1)-methylisoageliferin dihydrochloride

C24H28Br2N10O2 (646.0763)

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)

Salafibrate

C32H32Cl2O10 (646.1372)

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)

C26H26N6O10S2 (646.1152)

Vat Orange 11

C42H18N2O6 (646.1165)

Vat brown 1

C42H18N2O6 (646.1165)

CYTIDINE-2,3-MONOPHOSPHORIC ACID

C18H28N6O16P2 (646.1037)

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

C30H36Br2N2O4 (646.1042)

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

C20H34N6O12S3 (646.1397)

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

C18H28N6O16P2 (646.1037)

Mesocyanin

C27H31ClO16 (646.1301)

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

C21H31BrN2O16 (646.0857)

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

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

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

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"}