Exact Mass: 829.2424

Exact Mass Matches: 829.2424

Found 14 metabolites which its exact mass value is equals to given mass value 829.2424, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Aromatized deshydroxy-C-1027 chromophore

C43H44ClN3O12 (829.2613)

Quin-2 acetoxymethyl ester

(Acetyloxy)methyl 2-({2-[(acetyloxy)methoxy]-2-oxoethyl}[2-({8-[bis({2-[(acetyloxy)methoxy]-2-oxoethyl})amino]-6-methoxyquinolin-2-yl}methoxy)-4-methylphenyl]amino)acetic acid

C38H43N3O18 (829.2541)

malonylshisonin

5-[(6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-{[3,4,5-trihydroxy-6-({[3-(4-hydroxyphenyl)prop-2-en-1-yl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

C39H41O20 (829.2191)

Malonylshisonin is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Malonylshisonin can be found in a number of food items such as blackcurrant, cherry tomato, star fruit, and pineappple sage, which makes malonylshisonin a potential biomarker for the consumption of these food products.

Cyanidin 3-O-[2-O-(xylosyl) glucoside] 5-O-(6-O-malonyl) glucoside

C35H41O23 (829.2039)

Cyanidin 3-O-[(6-O-malonyl-2-O-beta-D-xylopyranosyl)-beta-D-glucopyranoside]-7-O-beta-D-glucopyranoside

C35H41O23 (829.2039)

1-(2-DEOXY-3-O-(4-NITROBENZENESULFONYL)-5-O-(4,4-DIMETHOXYTRITYL)-β-D-THREO-PENTAFURANOSYL)-3-(TERT-BUTYLOXYCARBONYL)THYMINE

C42H43N3O13S (829.2516)

Quin 2-AM

Quin2-acetoxymethyl ester

C38H43N3O18 (829.2541)

D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D064449 - Sequestering Agents > D002614 - Chelating Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes

3-[[6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-[3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoxy]methyl]oxan-2-yl]oxychromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

C39H41O20+ (829.2191)

Cyanidin 3-O-[2'-O-(xylosyl) glucoside]5-O-(6'-O-malonyl) glucoside

C35H41O23 (829.2039)

2-({14,21,28,31-tetrahydroxy-29-isopropyl-9,12,19,23,26-pentamethyl-10,24-dioxa-17,34-dithia-6,13,20,27,30,35,36,37,38-nonaazahexacyclo[30.2.1.1⁸,¹¹.1¹⁵,¹⁸.1²²,²⁵.0²,⁷]octatriaconta-1(35),2,4,6,8,11(38),13,15,18(37),20,22,25(36),27,30,32-pentadecaen-5-yl}formamido)prop-2-enimidic acid

2-({14,21,28,31-tetrahydroxy-29-isopropyl-9,12,19,23,26-pentamethyl-10,24-dioxa-17,34-dithia-6,13,20,27,30,35,36,37,38-nonaazahexacyclo[30.2.1.1⁸,¹¹.1¹⁵,¹⁸.1²²,²⁵.0²,⁷]octatriaconta-1(35),2,4,6,8,11(38),13,15,18(37),20,22,25(36),27,30,32-pentadecaen-5-yl}formamido)prop-2-enimidic acid

C37H39N11O8S2 (829.2424)

(2e,4e,6e,8e)-9-(3-bromo-4-hydroxyphenyl)-n-[(3s,6s,9s,12s,15s,16r)-5,8,11,14-tetrahydroxy-6,9-bis(c-hydroxycarbonimidoylmethyl)-3,12-diisopropyl-16-methyl-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-15-yl]nona-2,4,6,8-tetraenimidic acid

(2e,4e,6e,8e)-9-(3-bromo-4-hydroxyphenyl)-n-[(3s,6s,9s,12s,15s,16r)-5,8,11,14-tetrahydroxy-6,9-bis(c-hydroxycarbonimidoylmethyl)-3,12-diisopropyl-16-methyl-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-15-yl]nona-2,4,6,8-tetraenimidic acid

C37H48BrN7O10 (829.2646)

5-{[(2s,3s,4s,5s,6r)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-3-{[(2s,3s,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2r,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-1λ⁴-chromen-1-ylium

5-{[(2s,3s,4s,5s,6r)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-3-{[(2s,3s,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2r,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-1λ⁴-chromen-1-ylium

[C35H41O23]+ (829.2039)

2-{15-[9-(3-bromo-4-hydroxyphenyl)nona-2,4,6,8-tetraenamido]-5,8,11,14-tetrahydroxy-9-(c-hydroxycarbonimidoylmethyl)-3,12-diisopropyl-16-methyl-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-6-yl}ethanimidic acid

2-{15-[9-(3-bromo-4-hydroxyphenyl)nona-2,4,6,8-tetraenamido]-5,8,11,14-tetrahydroxy-9-(c-hydroxycarbonimidoylmethyl)-3,12-diisopropyl-16-methyl-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-6-yl}ethanimidic acid

C37H48BrN7O10 (829.2646)

(3-{[(2s,3s,4s,5s,6s)-6-{[(2-carboxyacetyl)oxy]methyl}-4,5-dihydroxy-3-{[(2r,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-7-ylidene)[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxidanium

(3-{[(2s,3s,4s,5s,6s)-6-{[(2-carboxyacetyl)oxy]methyl}-4,5-dihydroxy-3-{[(2r,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-7-ylidene)[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxidanium

[C35H41O23]+ (829.2039)