Exact Mass: 518.058631

Exact Mass Matches: 518.058631

Found 55 metabolites which its exact mass value is equals to given mass value 518.058631, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

6'-Malonylcosmosiin

3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-tetrahydropyran-2-yl]methoxy]propanoic acid

C24H22O13 (518.1060362000001)


Apigenin 7-O-(6-malonyl-beta-D-glucoside) is a member of flavonoids and a glycoside. Apigenin 7-(6-malonylglucoside) is a natural product found in Monarda punctata and Cynara cardunculus with data available. 6-Malonylcosmosiin is found in herbs and spices. 6-Malonylcosmosiin is isolated from Petroselinum crispum (parsley). Isolated from Petroselinum crispum (parsley). 6-Malonylcosmosiin is found in herbs and spices. Apigenin 7-O-malonylglucoside is found in chrysanthemum flowers[1].

   

6'-Malonylgenistin

3-oxo-3-[(3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid

C24H22O13 (518.1060362000001)


Present in soy foods. Potential nutriceutical. 6-Malonylgenistin is found in many foods, some of which are soy bean, soy sauce, white lupine, and miso. 6-Malonylgenistin is found in miso. 6-Malonylgenistin is present in soy foods. Potential nutriceutica

   

Dithiazanine iodide

3,3-Diethylthiadicarbocyanine iodide

C23H23IN2S2 (518.0347348)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D004396 - Coloring Agents > D005456 - Fluorescent Dyes

   

Apigenin 5-(6-malonylglucoside)

5,7,4-Trihydroxyflavone 5- (6"-malonylglucoside)

C24H22O13 (518.1060362000001)


   

Genistein 8-C-glucoside 6-O-malonate

5,7,4-Trihydroxyisoflavone 8-C-(6-malonylglucoside)

C24H22O13 (518.1060362000001)


   

Herbacetin 8-(2,3-diacetylxyloside)

Herbacetin 8-(2,3-diacetylxyloside)

C24H22O13 (518.1060362000001)


   

Apigenin 7-(2-glucuronosyllactate)

Apigenin 7-(2-glucuronosyllactate)

C24H22O13 (518.1060362000001)


   
   

5,6,7-Trihydroxyflavone 7-(6-malonylglucoside)

5,6,7-Trihydroxyflavone 7-(6-malonylglucoside)

C24H22O13 (518.1060362000001)


   

Apigenin 7-O-malonylglucoside

Apigenin 7-(6-malonylglucoside)

C24H22O13 (518.1060362000001)


Apigenin 7-O-malonylglucoside is found in chrysanthemum flowers[1].

   

Apigenin 7- (2'-glucuronosyllactate)

5,7,4-Trihydroxyflavone 7- (2"-glucuronosyllactate)

C24H22O13 (518.1060362000001)


   

5,6,7-Trihydroxyflavone 7- (6'-malonylglucoside)

5,6,7-Trihydroxyflavone 7- (6"-malonylglucoside)

C24H22O13 (518.1060362000001)


   

Pelargonidin 3-(6-malonylglucoside)

Pelargonidin 3-(6-malonylglucoside)

C24H22O13 (518.1060362000001)


   

(-)-4beta-(2-hydroxyethylsulfanyl)epicatechin 3-O-gallate

(-)-4beta-(2-hydroxyethylsulfanyl)epicatechin 3-O-gallate

C24H22O11S (518.0882782)


   

swertiabisxanthone-I

swertiabisxanthone-I

C26H14O12 (518.0485244)


   

4,4-O-dimethylellagic acid 3-(2-O-acetyl)-alpha-rhamnopyranoside

4,4-O-dimethylellagic acid 3-(2-O-acetyl)-alpha-rhamnopyranoside

C24H22O13 (518.1060362000001)


   

(4R)-9c-acetoxy-9a-hydroxy-4-hydroxymethyl-12,4,4,5xi-tetramethyl-(6ac,8cO,9ac,2rC7)-tetrahydro-spiro[4r,10ac-azaethano-cyclopenta[4,5]pyrrolo[2,1-d][1,2,3,5]trithiazepine-8,2-furan]-5,11,3-trione|(5Xi)-sirodesmin-C|Sirodesmin C

(4R)-9c-acetoxy-9a-hydroxy-4-hydroxymethyl-12,4,4,5xi-tetramethyl-(6ac,8cO,9ac,2rC7)-tetrahydro-spiro[4r,10ac-azaethano-cyclopenta[4,5]pyrrolo[2,1-d][1,2,3,5]trithiazepine-8,2-furan]-5,11,3-trione|(5Xi)-sirodesmin-C|Sirodesmin C

C20H26N2O8S3 (518.0851236)


   

Rhein-8-O-??-D-(6-oxalyl)-glucopyra-noside

Rhein-8-O-??-D-(6-oxalyl)-glucopyra-noside

C23H18O14 (518.0696528)


   

quercetin-3-O-alpha-L-3,5-diacetylarabinofuranoside

quercetin-3-O-alpha-L-3,5-diacetylarabinofuranoside

C24H22O13 (518.1060362000001)


   

1,8-dihydroxy-2-O-beta-D-glucopyranoside((1>6) malonyl)-3-methylanthraquinone|kwanzoquinone D

1,8-dihydroxy-2-O-beta-D-glucopyranoside((1>6) malonyl)-3-methylanthraquinone|kwanzoquinone D

C24H22O13 (518.1060362000001)


   
   
   

isoswertiabisxanthone I

isoswertiabisxanthone I

C26H14O12 (518.0485244)


   

apigenin 7-O-<2-O-beta-glucopyranuronosoyl-lactate>

apigenin 7-O-<2-O-beta-glucopyranuronosoyl-lactate>

C24H22O13 (518.1060362000001)


   
   

Malonylgenistin

3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid

C24H22O13 (518.1060362000001)


Malonylgenistin is a glycosyloxyisoflavone that is genistin in which the hydroxy hydrogen at position 6 has been replaced by a malonyl group. It has a role as a plant metabolite. It is a glycosyloxyisoflavone, a hydroxyisoflavone, a malonate ester, a monosaccharide derivative and a beta-D-glucoside. It is functionally related to a genistein 7-O-beta-D-glucoside. 6-O-Malonylgenistin is a natural product found in Maackia amurensis, Glycine, and other organisms with data available. A glycosyloxyisoflavone that is genistin in which the hydroxy hydrogen at position 6 has been replaced by a malonyl group.

   

3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid

NCGC00385542-01!3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid

C24H22O13 (518.1060362000001)


   

Malonylgenistin

Genistein 7-O-beta-d-glucoside-6-O-malonate

C24H22O13 (518.1060362000001)


   

Isoflavone base + 3O, O-MalonylHex

Isoflavone base + 3O, O-MalonylHex

C24H22O13 (518.1060362000001)


Annotation level-3

   

Flavone base + 3O, O-MalonylHex

Flavone base + 3O, O-MalonylHex

C24H22O13 (518.1060362000001)


Annotation level-3

   

Genistein 7-O-glucoside-6-malonate

Genistein 7-O-glucoside-6-malonate

C24H22O13 (518.1060362000001)


   

Pelargonidin 3-O-(6-O-malonyl-β-D-glucoside)

Pelargonidin 3-O-(6-O-malonyl-β-D-glucoside)

C24H22O13 (518.1060362000001)


   

6''-Malonylcosmosiin

3-oxo-3-[(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid

C24H22O13 (518.1060362000001)


   

4,4-bis(2-disulfonic acid styryl) biphenyl

4,4-bis(2-disulfonic acid styryl) biphenyl

C28H22O6S2 (518.0857752000001)


   

Nonylphenoxypolyethanol-iodine complex

Nonylphenoxypolyethanol-iodine complex

C17H28I2O2 (518.0178728)


   

(3Z)-3-(1-AMINOETHYLIDENE)-1-CHLOROPENTANE-2,4-DIONE

(3Z)-3-(1-AMINOETHYLIDENE)-1-CHLOROPENTANE-2,4-DIONE

C29H28BrO2P (518.1010178)


   
   

1H,1H,2H,2H-Heptadecafluorodecyl acrylate

1H,1H,2H,2H-Heptadecafluorodecyl acrylate

C13H7F17O2 (518.0174566)


   

Regorafenib (Hydrochloride)

Regorafenib (Hydrochloride)

C21H16Cl2F4N4O3 (518.0535533999999)


Regorafenib Hydrochloride (BAY 73-4506 hydrochloride) is a multi-target inhibitor for VEGFR1/2/3, PDGFRβ, Kit, RET and Raf-1 with IC50s of 13/4.2/46, 22, 7, 1.5 and 2.5 nM, respectively[1].

   

N-[5-[bis(2-methoxyethyl)amino]-2-[(2-bromo-6-cyano-4-nitrophenyl)diazenyl]phenyl]acetamide

N-[5-[bis(2-methoxyethyl)amino]-2-[(2-bromo-6-cyano-4-nitrophenyl)diazenyl]phenyl]acetamide

C21H23BrN6O5 (518.0913208)


   
   

Briciclib sodium

Briciclib sodium

C19H21Na2O10PS (518.0388416)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

   

5,7-Dihydroxy-4-[6-O-(3-hydroxy-1,3-dioxopropyl)-beta-D-glucopyranosyloxy]isoflavone

5,7-Dihydroxy-4-[6-O-(3-hydroxy-1,3-dioxopropyl)-beta-D-glucopyranosyloxy]isoflavone

C24H22O13 (518.1060362000001)


   

3-[[(2R,3S,4R,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

3-[[(2R,3S,4R,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

C24H22O13 (518.1060362000001)


   

quercetin 3-O-beta-D-(1-O-malonyl)-xylopyranoside

quercetin 3-O-beta-D-(1-O-malonyl)-xylopyranoside

C23H18O14-2 (518.0696528)


   

3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxochromen-3-yl]oxyoxan-2-yl]methoxy]propanoic acid

3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-7-oxochromen-3-yl]oxyoxan-2-yl]methoxy]propanoic acid

C24H22O13 (518.1060362000001)


   

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 3-hydroxyquinoline-2-carboxylate

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 3-hydroxyquinoline-2-carboxylate

C20H19N6O9P (518.0951094)


   

3-[2-[(E,3E)-3-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)-2-methoxyprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate

3-[2-[(E,3E)-3-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)-2-methoxyprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate

C24H26N2O5S3 (518.1003786)


   

2-Hydroxy-3-methoxybenzoic acid [2-[2-chloro-5-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] ester

2-Hydroxy-3-methoxybenzoic acid [2-[2-chloro-5-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] ester

C24H23ClN2O7S (518.0914438)


   
   

butyl 3-[(5Z)-5-[3-(3-butoxy-3-oxopropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

butyl 3-[(5Z)-5-[3-(3-butoxy-3-oxopropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

C20H26N2O6S4 (518.0673656)


   

7-MAG

3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-tetrahydropyran-2-yl]methoxy]propanoic acid

C24H22O13 (518.1060362000001)


Apigenin 7-O-(6-malonyl-beta-D-glucoside) is a member of flavonoids and a glycoside. Apigenin 7-(6-malonylglucoside) is a natural product found in Monarda punctata and Cynara cardunculus with data available. Apigenin 7-O-malonylglucoside is found in chrysanthemum flowers[1].

   

apigenin 7-O-(6-O-malonylglucoside)

apigenin 7-O-(6-O-malonylglucoside)

C24H22O13 (518.1060362000001)