Exact Mass: 414.1076484

Exact Mass Matches: 414.1076484

Found 62 metabolites which its exact mass value is equals to given mass value 414.1076484, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Asperuloside

(2aS-(2aalpha,4aalpha,5alpha,7balpha))-5-(beta-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-1-oxo-1H-2,6-dioxacyclopent(cd)inden-4-ylmethyl acetate

C18H22O11 (414.1162)


Asperuloside is a iridoid monoterpenoid glycoside isolated from Galium verum. It has a role as a metabolite. It is an iridoid monoterpenoid, a beta-D-glucoside, a monosaccharide derivative, an acetate ester and a gamma-lactone. Asperuloside is a natural product found in Lasianthus curtisii, Galium spurium, and other organisms with data available. See also: Galium aparine whole (part of). A iridoid monoterpenoid glycoside isolated from Galium verum. Asperuloside is an iridoid isolated from Hedyotis diffusa, with anti-inflammatory activity. Asperuloside inhibits inducible nitric oxide synthase (iNOS), suppresses NF-κB and MAPK signaling pathways[1]. Asperuloside is an iridoid isolated from Hedyotis diffusa, with anti-inflammatory activity. Asperuloside inhibits inducible nitric oxide synthase (iNOS), suppresses NF-κB and MAPK signaling pathways[1].

   

Futalosine

ACon0_001470

C19H18N4O7 (414.1175)


   

5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-4'-O-glucuronide

(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-{2-hydroxy-6-methoxy-4-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid

C18H22O11 (414.1162)


5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone-O-methyl-4-O-glucuronide is a conjugate of 5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone-O-methyl and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)

   

5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-O-methyl-5'-O-glucuronide

(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-{2-hydroxy-3-methoxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid

C18H22O11 (414.1162)


5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone-O-methyl-5-O-glucuronide is a conjugate of 5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone-O-methyl and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)

   

Asperuloside

(2-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0,]undeca-1(10),5-dien-6-yl)methyl acetic acid

C18H22O11 (414.1162)


   

Sphagnorubin C

8-Hydroxy-2- (4-hydroxy-3-methoxyphenyl) -11-methoxy-9H-phenanthro [2,1-b] pyran-9-one

C25H18O6 (414.1103)


   

MCULE-4534643428

MCULE-4534643428

C18H18N6O4S (414.111)


   
   
   

N-Fructoryl cysteinylalanine + C2H5S

N-Fructoryl cysteinylalanine + C2H5S

C14H26N2O8S2 (414.1131)


Annotation level-3

   

N-methylwelwitindolinone B isothiocyanate

N-methylwelwitindolinone B isothiocyanate

C22H23ClN2O2S (414.1169)


   

4beta-(chloromethyl)-3beta,4alpha-dihydroxy,8alpha-[(S)-2-carboxypropionyloxy]-1alphaH,5alphaH,6betaH,7alphaH-guaia-10(14),11(13)-dien-6,12-olide

4beta-(chloromethyl)-3beta,4alpha-dihydroxy,8alpha-[(S)-2-carboxypropionyloxy]-1alphaH,5alphaH,6betaH,7alphaH-guaia-10(14),11(13)-dien-6,12-olide

C19H23ClO8 (414.1081)


   

6-acetyl deacetylasperuloside

6-acetyl deacetylasperuloside

C18H22O11 (414.1162)


   
   

6-(1-O-alpha-L-rhamano-pyranosyloxycarbonyl)-phenazine-1-dicarboxylic acid ester|izuminoside C

6-(1-O-alpha-L-rhamano-pyranosyloxycarbonyl)-phenazine-1-dicarboxylic acid ester|izuminoside C

C20H18N2O8 (414.1063)


   

6?-O-vanilloylgoodyeroside

6?-O-vanilloylgoodyeroside

C18H22O11 (414.1162)


   

Asperuloside

NCGC00380739-01_C18H22O11_1H-2,6-Dioxacyclopent[cd]inden-1-one, 4-[(acetyloxy)methyl]-5-(beta-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-, (2aS,4aS,5S,7bS)-

C18H22O11 (414.1162)


Asperuloside is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Asperuloside is soluble (in water) and a very weakly acidic compound (based on its pKa). Asperuloside can be found in bilberry, which makes asperuloside a potential biomarker for the consumption of this food product. Asperuloside is an iridoid isolated from Hedyotis diffusa, with anti-inflammatory activity. Asperuloside inhibits inducible nitric oxide synthase (iNOS), suppresses NF-κB and MAPK signaling pathways[1]. Asperuloside is an iridoid isolated from Hedyotis diffusa, with anti-inflammatory activity. Asperuloside inhibits inducible nitric oxide synthase (iNOS), suppresses NF-κB and MAPK signaling pathways[1].

   

Interruptin D

Interruptin D

C25H18O6 (414.1103)


   

4-(cystein-S-yl)butyl desulfo-glucosinolate|glucorucolamine

4-(cystein-S-yl)butyl desulfo-glucosinolate|glucorucolamine

C14H26N2O8S2 (414.1131)


   

C19H18N4O7_9H-Purin-6-ol, 9-[1-(3-carboxyphenyl)-2,3-dideoxyheptodialdo-7,4-furanosyl]

NCGC00347753-02_C19H18N4O7_9H-Purin-6-ol, 9-[1-(3-carboxyphenyl)-2,3-dideoxyheptodialdo-7,4-furanosyl]-

C19H18N4O7 (414.1175)


   

3-[3-[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]propanoyl]benzoic acid

3-[3-[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]propanoyl]benzoic acid

C19H18N4O7 (414.1175)


   

3-[3-[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]propanoyl]benzoic acid_major

3-[3-[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]propanoyl]benzoic acid_major

C19H18N4O7 (414.1175)


   

2-[4-(hydrazinecarbonyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide

2-[4-(hydrazinecarbonyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide

C18H18N6O4S (414.111)


   

1,1,3,3-Tetraphenyldisiloxane-1,3-diol

1,1,3,3-Tetraphenyldisiloxane-1,3-diol

C24H22O3Si2 (414.1107)


   

tris(5-oxo-L-prolinato-N1,O2)aluminium

tris(5-oxo-L-prolinato-N1,O2)aluminium

C15H21AlN3O9 (414.1093)


   

Pyrido[2,3-d]pyrimidine-6-carboxaldehyde,5-azido-1,2,3,4,7,8-hexahydro-8-methyl-2,4,7-trioxo-1,3-diphenyl-

Pyrido[2,3-d]pyrimidine-6-carboxaldehyde,5-azido-1,2,3,4,7,8-hexahydro-8-methyl-2,4,7-trioxo-1,3-diphenyl-

C21H14N6O4 (414.1076)


   

5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]-6-phenylsulfanylpyridine-3-carboxamide

5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]-6-phenylsulfanylpyridine-3-carboxamide

C19H18N4O5S (414.0998)


   
   
   

validoxylamine A 7-phosphate(1-)

validoxylamine A 7-phosphate(1-)

C14H25NO11P- (414.1165)


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups and protonation of the amino group of validoxylamine A 7-phosphate; major species at pH 7.3.

   

2-(3,4-dimethoxyphenyl)-8-methoxy-4,4-dimethyl-5H-isothiazolo[5,4-c]quinoline-1-thione

2-(3,4-dimethoxyphenyl)-8-methoxy-4,4-dimethyl-5H-isothiazolo[5,4-c]quinoline-1-thione

C21H22N2O3S2 (414.1072)


   

N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-fluorophenyl)-5-methyl-4-oxazolyl]methylthio]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-fluorophenyl)-5-methyl-4-oxazolyl]methylthio]acetamide

C21H19FN2O4S (414.105)


   

N-(3-dibenzofuranyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide

N-(3-dibenzofuranyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide

C23H18N4O2S (414.115)


   

4-(4-Acetylphenoxy)butanoic acid [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl ester

4-(4-Acetylphenoxy)butanoic acid [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl ester

C21H19ClN2O5 (414.0982)


   

1-(2,4-Dinitroanilino)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione

1-(2,4-Dinitroanilino)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione

C19H18N4O7 (414.1175)


   

2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

C17H18N8OS2 (414.1045)


   

4-(3,5-dichloro-4-pyridinyl)-N-(1-naphthalenyl)-1,4-diazepane-1-carboxamide

4-(3,5-dichloro-4-pyridinyl)-N-(1-naphthalenyl)-1,4-diazepane-1-carboxamide

C21H20Cl2N4O (414.1014)


   

5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone-O-methyl-4-O-glucuronide

5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone-O-methyl-4-O-glucuronide

C18H22O11 (414.1162)


   

5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone-O-methyl-5-O-glucuronide

5-(3,4,5-trihydroxyphenyl)-gamma-valerolactone-O-methyl-5-O-glucuronide

C18H22O11 (414.1162)


   
   

(S)-BAY 2965501

(S)-BAY 2965501

C20H19FN4O3S (414.1162)


(S)-BAY 2965501 is the left-handed isomer of BAY 2965501 (HY-153343). BAY 2965501 is a potent and selective diacylglycerol kinase zeta (DGKζ) inhibitor. BAY 2965501 induces pERK activation. BAY 2965501 can be used for the research of cancer[1].

   

3-{[9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl]oxy}-2-methyl-3-oxopropanoic acid

3-{[9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl]oxy}-2-methyl-3-oxopropanoic acid

C19H23ClO8 (414.1081)


   

[(4r,7s,8s,11s)-2-oxo-8-{[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-6-yl]methyl acetate

[(4r,7s,8s,11s)-2-oxo-8-{[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-6-yl]methyl acetate

C18H22O11 (414.1162)


   

[(4s,7s,8s,11s)-2-oxo-8-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-6-yl]methyl acetate

[(4s,7s,8s,11s)-2-oxo-8-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-6-yl]methyl acetate

C18H22O11 (414.1162)


   

[(4s,7r,8s,11r)-2-oxo-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-6-yl]methyl acetate

[(4s,7r,8s,11r)-2-oxo-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-6-yl]methyl acetate

C18H22O11 (414.1162)


   

8,10,18-trihydroxy-17-(1-hydroxyethylidene)-4,12-dimethylpentacyclo[11.7.1.0²,⁷.0⁹,²¹.0¹⁴,¹⁹]henicosa-1(21),2,4,7,9,11,13,15,18-nonaene-6,20-dione

8,10,18-trihydroxy-17-(1-hydroxyethylidene)-4,12-dimethylpentacyclo[11.7.1.0²,⁷.0⁹,²¹.0¹⁴,¹⁹]henicosa-1(21),2,4,7,9,11,13,15,18-nonaene-6,20-dione

C25H18O6 (414.1103)


   

[(4s,7s,8s,11s)-2-oxo-8-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-6-yl]methyl acetate

[(4s,7s,8s,11s)-2-oxo-8-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-6-yl]methyl acetate

C18H22O11 (414.1162)


   

8-benzyl-5,8-dihydroxy-6-methyl-4-phenylfuro[2,3-h]chromene-2,9-dione

8-benzyl-5,8-dihydroxy-6-methyl-4-phenylfuro[2,3-h]chromene-2,9-dione

C25H18O6 (414.1103)


   

2-amino-3-{[5-(hydroxyimino)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pentyl]sulfanyl}propanoic acid

2-amino-3-{[5-(hydroxyimino)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pentyl]sulfanyl}propanoic acid

C14H26N2O8S2 (414.1131)


   

6-({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}carbonyl)phenazine-1-carboxylic acid

6-({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}carbonyl)phenazine-1-carboxylic acid

C20H18N2O8 (414.1063)


   

6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]carbonyl}phenazine-1-carboxylic acid

6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]carbonyl}phenazine-1-carboxylic acid

C20H18N2O8 (414.1063)


   

8-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-11-methoxynaphtho[2,1-f]chromen-9-one

8-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-11-methoxynaphtho[2,1-f]chromen-9-one

C25H18O6 (414.1103)


   

6-({[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}carbonyl)phenazine-1-carboxylic acid

6-({[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}carbonyl)phenazine-1-carboxylic acid

C20H18N2O8 (414.1063)


   

[(4s,7s,8s,11r)-2-oxo-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-6-yl]methyl acetate

[(4s,7s,8s,11r)-2-oxo-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-6-yl]methyl acetate

C18H22O11 (414.1162)


   

(2s)-3-{[(3ar,4s,6ar,8s,9s,9as,9bs)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl]oxy}-2-methyl-3-oxopropanoic acid

(2s)-3-{[(3ar,4s,6ar,8s,9s,9as,9bs)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl]oxy}-2-methyl-3-oxopropanoic acid

C19H23ClO8 (414.1081)


   

(2s,3s,4r,6s,8r)-4-chloro-3-ethenyl-2-isothiocyanato-3,7,7,10-tetramethyl-10-azatetracyclo[6.6.1.1²,⁶.0¹¹,¹⁵]hexadeca-1(14),11(15),12-triene-9,16-dione

(2s,3s,4r,6s,8r)-4-chloro-3-ethenyl-2-isothiocyanato-3,7,7,10-tetramethyl-10-azatetracyclo[6.6.1.1²,⁶.0¹¹,¹⁵]hexadeca-1(14),11(15),12-triene-9,16-dione

C22H23ClN2O2S (414.1169)


   

(8s)-8-benzyl-5,8-dihydroxy-6-methyl-4-phenylfuro[2,3-h]chromene-2,9-dione

(8s)-8-benzyl-5,8-dihydroxy-6-methyl-4-phenylfuro[2,3-h]chromene-2,9-dione

C25H18O6 (414.1103)


   

(2r)-2-amino-3-{[(5z)-5-(hydroxyimino)-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pentyl]sulfanyl}propanoic acid

(2r)-2-amino-3-{[(5z)-5-(hydroxyimino)-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pentyl]sulfanyl}propanoic acid

C14H26N2O8S2 (414.1131)


   

[(1s,3s,5r,6s,7s,8r,10s,11s,14r,17s,19s)-6,7-dihydroxy-5-(hydroxymethyl)-12-oxo-2,4,9,13,18-pentaoxapentacyclo[8.7.1.1¹¹,¹⁴.0³,⁸.0¹⁷,¹⁹]nonadec-15-en-16-yl]methyl acetate

[(1s,3s,5r,6s,7s,8r,10s,11s,14r,17s,19s)-6,7-dihydroxy-5-(hydroxymethyl)-12-oxo-2,4,9,13,18-pentaoxapentacyclo[8.7.1.1¹¹,¹⁴.0³,⁸.0¹⁷,¹⁹]nonadec-15-en-16-yl]methyl acetate

C18H22O11 (414.1162)


   

(2s,3s,4r,6r,8s)-4-chloro-3-ethenyl-2-isothiocyanato-3,7,7,10-tetramethyl-10-azatetracyclo[6.6.1.1²,⁶.0¹¹,¹⁵]hexadeca-1(14),11(15),12-triene-9,16-dione

(2s,3s,4r,6r,8s)-4-chloro-3-ethenyl-2-isothiocyanato-3,7,7,10-tetramethyl-10-azatetracyclo[6.6.1.1²,⁶.0¹¹,¹⁵]hexadeca-1(14),11(15),12-triene-9,16-dione

C22H23ClN2O2S (414.1169)


   

4-chloro-3-ethenyl-2-isothiocyanato-3,7,7,10-tetramethyl-10-azatetracyclo[6.6.1.1²,⁶.0¹¹,¹⁵]hexadeca-1(14),11(15),12-triene-9,16-dione

4-chloro-3-ethenyl-2-isothiocyanato-3,7,7,10-tetramethyl-10-azatetracyclo[6.6.1.1²,⁶.0¹¹,¹⁵]hexadeca-1(14),11(15),12-triene-9,16-dione

C22H23ClN2O2S (414.1169)


   

3-{3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-hydroxypurin-9-yl)oxolan-2-yl]propanoyl}benzoic acid

3-{3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-hydroxypurin-9-yl)oxolan-2-yl]propanoyl}benzoic acid

C19H18N4O7 (414.1175)