Exact Mass: 412.0606

Exact Mass Matches: 412.0606

Found 156 metabolites which its exact mass value is equals to given mass value 412.0606, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

pyraflufen

Pyraflufen-ethyl

C15H13Cl2F3N2O4 (412.0204)


CONFIDENCE standard compound; INTERNAL_ID 404; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9709; ORIGINAL_PRECURSOR_SCAN_NO 9708 CONFIDENCE standard compound; INTERNAL_ID 404; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9657; ORIGINAL_PRECURSOR_SCAN_NO 9655 CONFIDENCE standard compound; INTERNAL_ID 404; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9632; ORIGINAL_PRECURSOR_SCAN_NO 9630 CONFIDENCE standard compound; INTERNAL_ID 404; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9674; ORIGINAL_PRECURSOR_SCAN_NO 9672 CONFIDENCE standard compound; INTERNAL_ID 404; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9681; ORIGINAL_PRECURSOR_SCAN_NO 9679 CONFIDENCE standard compound; INTERNAL_ID 404; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9708; ORIGINAL_PRECURSOR_SCAN_NO 9706

   

Imazosulfuron

Imazosulfuron

C14H13ClN6O5S (412.0357)


Precursor ion, [M-H]-, is a 37Cl-isotopolog ion.; The sample was injected by direct infusion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan. The sample was injected by direct infusion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.

   

dIDP

{[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}phosphonic acid

C10H14N4O10P2 (412.0185)


dIDP (deoxyinoside diphosphate) is a nucleoside. Deoxyinosine diphosphate appears in the urine of patients with purine metabolism abnormalities in purine nucleoside phosphorylase deficiency(OMIM 164050) [HMDB] dIDP (deoxyinoside diphosphate) is a nucleoside. Deoxyinosine diphosphate appears in the urine of patients with purine metabolism abnormalities in purine nucleoside phosphorylase deficiency(OMIM 164050).

   

Patientoside A

1-(4-chloro-1-hydroxy-3-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)ethan-1-one

C19H21ClO8 (412.0925)


Patientoside A is found in herbs and spices. Patientoside A is a constituent of the roots of Rumex patientia (patience dock). Constituent of the roots of Rumex patientia (patience dock). Patientoside A is found in herbs and spices.

   

Zileuton O-glucuronide

(2S,3S,4S,5R,6S)-6-({[1-(1-benzothiophen-2-yl)ethyl](C-hydroxycarbonimidoyl)amino}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C17H20N2O8S (412.094)


Zileuton O-glucuronide is a metabolite of zileuton. Zileuton (trade name ZYFLO) is an orally active inhibitor of 5-lipoxygenase, and thus inhibits leukotrienes (LTB4, LTC4, LTD4, and LTE4) formation. Zileuton is used for the maintenance treatment of asthma. Zileuton was introduced in 1996 by Abbott Laboratories and is now marketed in two formulations by Cornerstone Therapeutics Inc. under the brand names ZYFLO and ZYFLO CR. The original immediate-release formulation of zileuton, known as ZYFLO, is taken four times per day. (Wikipedia)

   

4,7-Diphenyl-1,10-phenanthrolinesulphonic acid

4,7-diphenyl-1,10-phenanthroline-2-sulfonic acid

C24H16N2O3S (412.0882)


   

4-Amino-5-methylamino-2',7'-difluorescein

4-amino-2,7-difluoro-3,6-dihydroxy-5-(methylamino)-3H-spiro[2-benzofuran-1,9-xanthene]-3-one

C21H14F2N2O5 (412.0871)


   

Glycogen Phosphorylase Inhibitor

1-(2-chloro-4,5-difluorobenzoyl)-3-{2-methoxy-5-[(methylcarbamoyl)amino]phenyl}urea

C17H15ClF2N4O4 (412.075)


   

Nitrofenac

2-((2,6-Dichlorophenyl) amino)benzeneacetate-4-hydroxybutylnitric ester

C18H18Cl2N2O5 (412.0593)


   

Thiamphenicol glycinate

N-{3-[(2-aminoacetyl)oxy]-1-hydroxy-1-(4-methanesulphonylphenyl)propan-2-yl}-2,2-dichloroethanimidic acid

C14H18Cl2N2O6S (412.0263)


   
   

Cibotiumbaroside A

Cibotiumbaroside A

C18H20O11 (412.1006)


   
   

Arteminorin B

Arteminorin B

C21H16O9 (412.0794)


   
   
   

(-)-Mitorubrinic acid

(-)-Mitorubrinic acid

C21H16O9 (412.0794)


   

Mitorubrinic acid

(+)-Mitorubrinic acid

C21H16O9 (412.0794)


   
   
   
   
   
   

CHEMBL1719757

CHEMBL1719757

C21H16O9 (412.0794)


   

N-methylwelwitindolinone C isothiocyanate

N-methylwelwitindolinone C isothiocyanate

C22H21ClN2O2S (412.1012)


   

Kaempferol 3,4,7-triacetate

Kaempferol 3,4,7-triacetate

C21H16O9 (412.0794)


   

SCHEMBL3922041

SCHEMBL3922041

C22H20O6S (412.0981)


   
   
   

(E)-2-(3-(3-bromo-4-methoxyphenyl)acrylamido)-5-guanidinopentanoic acid|subereamine A

(E)-2-(3-(3-bromo-4-methoxyphenyl)acrylamido)-5-guanidinopentanoic acid|subereamine A

C16H21BrN4O4 (412.0746)


   
   

LEOIDIN

NCGC00095464-02!LEOIDIN

C18H14Cl2O7 (412.0117)


   
   
   
   

Cys Cys Gly Met

(2S)-2-{2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]acetamido}-4-(methylsulfanyl)butanoic acid

C13H24N4O5S3 (412.0909)


   

Cys Cys Met Gly

2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]acetic acid

C13H24N4O5S3 (412.0909)


   

Cys Cys Ser Thr

(2S,3R)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-hydroxybutanoic acid

C13H24N4O7S2 (412.1086)


   

Cys Cys Thr Ser

(2S)-2-[(2S,3R)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-hydroxypropanoic acid

C13H24N4O7S2 (412.1086)


   

Cys Gly Cys Met

(2S)-2-[(2R)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C13H24N4O5S3 (412.0909)


   

Cys Gly Met Cys

(2R)-2-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C13H24N4O5S3 (412.0909)


   

Cys Met Cys Gly

2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]acetic acid

C13H24N4O5S3 (412.0909)


   

Cys Met Gly Cys

(2R)-2-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]acetamido}-3-sulfanylpropanoic acid

C13H24N4O5S3 (412.0909)


   

Cys Ser Cys Thr

(2S,3R)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-hydroxybutanoic acid

C13H24N4O7S2 (412.1086)


   

Cys Ser Thr Cys

(2R)-2-[(2S,3R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]-3-sulfanylpropanoic acid

C13H24N4O7S2 (412.1086)


   

Cys Thr Cys Ser

(2S)-2-[(2R)-2-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C13H24N4O7S2 (412.1086)


   

Cys Thr Ser Cys

(2R)-2-[(2S)-2-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C13H24N4O7S2 (412.1086)


   

Gly Cys Cys Met

(2S)-2-[(2R)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C13H24N4O5S3 (412.0909)


   

Gly Cys Met Cys

(2R)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C13H24N4O5S3 (412.0909)


   

Gly Met Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-(2-aminoacetamido)-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C13H24N4O5S3 (412.0909)


   

Met Cys Cys Gly

2-[(2R)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]acetic acid

C13H24N4O5S3 (412.0909)


   

Met Cys Gly Cys

(2R)-2-{2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]acetamido}-3-sulfanylpropanoic acid

C13H24N4O5S3 (412.0909)


   

Met Gly Cys Cys

(2R)-2-[(2R)-2-{2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]acetamido}-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C13H24N4O5S3 (412.0909)


   

Ser Cys Cys Thr

(2S,3R)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxybutanoic acid

C13H24N4O7S2 (412.1086)


   

Ser Cys Thr Cys

(2R)-2-[(2S,3R)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-sulfanylpropanoic acid

C13H24N4O7S2 (412.1086)


   

Ser Thr Cys Cys

(2R)-2-[(2R)-2-[(2S,3R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C13H24N4O7S2 (412.1086)


   

Thr Cys Cys Ser

(2S)-2-[(2R)-2-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C13H24N4O7S2 (412.1086)


   

Thr Cys Ser Cys

(2R)-2-[(2S)-2-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C13H24N4O7S2 (412.1086)


   

Thr Ser Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C13H24N4O7S2 (412.1086)


   

Patientoside A

1-(4-chloro-1-hydroxy-3-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)ethan-1-one

C19H21ClO8 (412.0925)


   

(1-METHYL-1H-PYRROL-2-YL)METHYLAMINE

(1-METHYL-1H-PYRROL-2-YL)METHYLAMINE

C23H26BrP (412.0955)


   

dichloropalladium,triethylphosphane

dichloropalladium,triethylphosphane

C12H30Cl2P2Pd (412.0234)


   

1-Chloro-9,10-bis(phenylethynyl)anthracene

1-Chloro-9,10-bis(phenylethynyl)anthracene

C30H17Cl (412.1019)


   

1h,1h,9h,9h-perfluoro-1,9-nonanediol

1h,1h,9h,9h-perfluoro-1,9-nonanediol

C9H6F14O2 (412.0144)


   

(3-amino-6-phenyl-4-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-phenylmethanone

(3-amino-6-phenyl-4-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-phenylmethanone

C24H16N2OS2 (412.0704)


   

niclosamide piperazine salt

niclosamide piperazine salt

C17H18Cl2N4O4 (412.0705)


   

Desfluoro Bicalutamide

Desfluoro Bicalutamide

C18H15F3N2O4S (412.0705)


   

1,5-Pentanediol,1,5-bis(4-methylbenzenesulfonate)

1,5-Pentanediol,1,5-bis(4-methylbenzenesulfonate)

C19H24O6S2 (412.1014)


   

1-(Phenylsulfonyl)indole-2-boronic acid MIDA ester,1-(Phenylsulfonyl)indole-2-boronic acid,Methyliminodiacetic acid anhydride

1-(Phenylsulfonyl)indole-2-boronic acid MIDA ester,1-(Phenylsulfonyl)indole-2-boronic acid,Methyliminodiacetic acid anhydride

C19H17BN2O6S (412.09)


   

isoamyltriphenylphosphonium bromide

isoamyltriphenylphosphonium bromide

C23H26BrP (412.0955)


   

9,10-bis-(Phenylethynyl)-2-chloroanthracene

9,10-bis-(Phenylethynyl)-2-chloroanthracene

C30H17Cl (412.1019)


   

1,3-bis(tosyloxy)-2,2-dimethylpropane

1,3-bis(tosyloxy)-2,2-dimethylpropane

C19H24O6S2 (412.1014)


   

Tetraisopropyl Dichloromethylene Diphosphonate

Tetraisopropyl Dichloromethylene Diphosphonate

C13H28Cl2O6P2 (412.0738)


   

9H-Purine,6-chloro-9-(2,3,5-tri-O-acetyl-b-D-ribofuranosyl)-

9H-Purine,6-chloro-9-(2,3,5-tri-O-acetyl-b-D-ribofuranosyl)-

C16H17ClN4O7 (412.0786)


   

Triphenylsulfonium trifluoromethanesulfonate

Triphenylsulfonium trifluoromethanesulfonate

C19H15F3O3S2 (412.0415)


   

Ethyl viologen diperchlorate

Ethyl viologen diperchlorate

C14H18Cl2N2O8 (412.044)


   

thiamphenicol

Thiamphenicol glycinate

C14H18Cl2N2O6S (412.0263)


   
   

Pentyltriphenylphosphonium bromide

Pentyltriphenylphosphonium bromide

C23H26BrP (412.0955)


   

3-nitro-4-(2-(3-phenoxybenzylidene)hydrazinyl)benzenesulfonamide

3-nitro-4-(2-(3-phenoxybenzylidene)hydrazinyl)benzenesulfonamide

C19H16N4O5S (412.0841)


   

4-{3-Chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-hydroxy-6-quinolinecarboxamide

4-{3-Chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-hydroxy-6-quinolinecarboxamide

C20H17ClN4O4 (412.0938)


   

Ethyl 2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate acetate (1:1)

Ethyl 2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate acetate (1:1)

C17H20N2O8S (412.094)


   

DL-threo-2-methylisocitrate

DL-threo-2-methylisocitrate

C14H20O14 (412.0853)


   

ethyl 6-broMo-1,5-diMethyl-2-(2-nitroethyl)-1H-indole-3-carboxylate coMpound with Methanedione (1:1)

ethyl 6-broMo-1,5-diMethyl-2-(2-nitroethyl)-1H-indole-3-carboxylate coMpound with Methanedione (1:1)

C16H17BrN2O6 (412.027)


   

methyl 3-(4-methylsulfonylphenoxy)-5-phenylmethoxybenzoate

methyl 3-(4-methylsulfonylphenoxy)-5-phenylmethoxybenzoate

C22H20O6S (412.0981)


   

2-[[4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethanol

2-[[4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethanol

C18H18Cl2N2O3S (412.0415)


   

[4,4,5,5,6,7,7,7-octafluoro-2-hydroxy-6-(trifluoromethyl)heptyl] 2-methylprop-2-enoate

[4,4,5,5,6,7,7,7-octafluoro-2-hydroxy-6-(trifluoromethyl)heptyl] 2-methylprop-2-enoate

C12H11F11O3 (412.0533)


   

Chitobiose

chitobiose dihydrochloride

C12H26Cl2N2O9 (412.1015)


Chitobiose is a dimer of beta-1,4-linked glucosamine units. There is ambiguity as to which structure the name refers, owing to the method by which it was first isolated. [HMDB]

   
   
   

Oregon green 488 carboxylate

Oregon green 488 carboxylate

C21H10F2O7 (412.0395)


   
   

2-(2,2-Dichloroacetamido)-3-hydroxy-3-[4-(methanesulfonyl)phenyl]propyl glycinate

2-(2,2-Dichloroacetamido)-3-hydroxy-3-[4-(methanesulfonyl)phenyl]propyl glycinate

C14H18Cl2N2O6S (412.0263)


   
   

2-Furanyl-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]methanone

2-Furanyl-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]methanone

C21H20N2O5S (412.1093)


   

Butyl 3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl carbonate

Butyl 3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl carbonate

C20H22Cl2O5 (412.0844)


   

N-(2-pyridin-3-ylpyrimidin-4-yl)-3,5-bis(trifluoromethyl)benzamide

N-(2-pyridin-3-ylpyrimidin-4-yl)-3,5-bis(trifluoromethyl)benzamide

C18H10F6N4O (412.0759)


   
   

(7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanate(2-)

(7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanate(2-)

C16H16N2O9S-2 (412.0576)


   

Subereamine A

Subereamine A

C16H21BrN4O4 (412.0746)


A natural product found in Suberea mollis.

   

(E)-N-[N-(5-Methyl-3-phenyl-isoxazole-4-carbonyl)-hydrazinocarbothioyl]-3-thiophen-2-yl-acrylamide

(E)-N-[N-(5-Methyl-3-phenyl-isoxazole-4-carbonyl)-hydrazinocarbothioyl]-3-thiophen-2-yl-acrylamide

C19H16N4O3S2 (412.0664)


   

3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxybenzoic acid

3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxybenzoic acid

C13H16O13S (412.0312)


   
   

2-[3-[2-furanyl(oxo)methyl]-1-indolyl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[3-[2-furanyl(oxo)methyl]-1-indolyl]-N-[2-(trifluoromethyl)phenyl]acetamide

C22H15F3N2O3 (412.1035)


   

Propanoyl-4-phosphopantetheine

Propanoyl-4-phosphopantetheine

C14H25N2O8PS-2 (412.1069)


   

methyl 8-[(2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-8-oxooctanoate

methyl 8-[(2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]hydrazinyl]-8-oxooctanoate

C17H21BrN2O5 (412.0634)


   
   

(3S,4R,5S)-4-(tert-Butyldimethylsilyloxy)-1,1-dibromo-3,5-dimethyl-1-heptene

(3S,4R,5S)-4-(tert-Butyldimethylsilyloxy)-1,1-dibromo-3,5-dimethyl-1-heptene

C15H30Br2OSi (412.0433)


   

2-Deoxyinosine-5-diphosphate

2-Deoxyinosine-5-diphosphate

C10H14N4O10P2 (412.0185)


A deoxyinosine phosphate compound having a diphosphate group at the 5-position.

   

(7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanate(2-)

(7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanate(2-)

C16H16N2O9S (412.0576)


Dicarboxylate anion of (7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanate acid.

   

Zileuton O-glucuronide

Zileuton O-glucuronide

C17H20N2O8S (412.094)


   
   
   
   

A 839977

A 839977

C19H14Cl2N6O (412.0606)


A 839977 is a P2X7 selective antagonist; it blocks BzATP-evoked calcium influx at recombinant human, rat and mouse P2X7 receptors (IC50 values are 20 nM, 42 nM and 150 nM respectively) and reduces inflammatory and neuropathic pain in animal models; the antihyperalgesic effects of P2X7 receptor blockade are mediated by blocking the release of IL-1beta[1].

   

Chitobiose (dihydrochloride)

Chitobiose (dihydrochloride)

C12H26Cl2N2O9 (412.1015)


Chitobiose dihydrochloride, a chitosan oligosaccharide, is a dimer of β-1,4-linked glucosamine units[1].

   

4-(benzylsulfanyl)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

4-(benzylsulfanyl)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

C22H20O6S (412.0981)


   

4-[5,6-bis(4-hydroxybenzoyl)pyrazin-2-yl]phenol

4-[5,6-bis(4-hydroxybenzoyl)pyrazin-2-yl]phenol

C24H16N2O5 (412.1059)


   

(4s,5r,6s)-4,5-dihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid

(4s,5r,6s)-4,5-dihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid

C21H16O9 (412.0794)


   

2-[2-amino-1-(6-bromo-1h-indol-3-yl)ethyl]-3-(2-aminoethyl)-1h-indol-5-ol

2-[2-amino-1-(6-bromo-1h-indol-3-yl)ethyl]-3-(2-aminoethyl)-1h-indol-5-ol

C20H21BrN4O (412.0899)


   

(1r,2s,3r,4s)-2,3,4,9-tetrahydroxy-2-methyl-5,10-dioxo-11-(λ⁵-diazynylidene)-1h,3h,4h-benzo[b]fluoren-1-yl acetate

(1r,2s,3r,4s)-2,3,4,9-tetrahydroxy-2-methyl-5,10-dioxo-11-(λ⁵-diazynylidene)-1h,3h,4h-benzo[b]fluoren-1-yl acetate

C20H16N2O8 (412.0907)


   

methyl 2-{7,8-dihydroxy-1,5-dioxofuro[3,4-c]isochromen-3-ylidene}-2-(3,4-dihydroxyphenyl)acetate

methyl 2-{7,8-dihydroxy-1,5-dioxofuro[3,4-c]isochromen-3-ylidene}-2-(3,4-dihydroxyphenyl)acetate

C20H12O10 (412.043)


   

3,5-dihydroxy-4-({3,4,5-trihydroxy-6-[(sulfooxy)methyl]oxan-2-yl}oxy)benzoic acid

3,5-dihydroxy-4-({3,4,5-trihydroxy-6-[(sulfooxy)methyl]oxan-2-yl}oxy)benzoic acid

C13H16O13S (412.0312)


   

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

C22H21ClN2O2S (412.1012)


   

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

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

C22H21ClN2O2S (412.1012)


   

(r)-mitorubrinic acid

(r)-mitorubrinic acid

C21H16O9 (412.0794)


   

[hydroxy([(2r,3s,5r)-3-hydroxy-5-(6-hydroxypurin-9-yl)oxolan-2-yl]methoxy)phosphoryl]oxyphosphonic acid

[hydroxy([(2r,3s,5r)-3-hydroxy-5-(6-hydroxypurin-9-yl)oxolan-2-yl]methoxy)phosphoryl]oxyphosphonic acid

C10H14N4O10P2 (412.0185)


   

(2r,3s,4s)-4-(benzylsulfanyl)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

(2r,3s,4s)-4-(benzylsulfanyl)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol

C22H20O6S (412.0981)


   

[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(2-oxo-5h-furan-3-yl)methoxy]oxan-2-yl]methyl 3,4-dihydroxybenzoate

[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(2-oxo-5h-furan-3-yl)methoxy]oxan-2-yl]methyl 3,4-dihydroxybenzoate

C18H20O11 (412.1006)


   

1-(4-chloro-1-hydroxy-3-methyl-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)ethanone

1-(4-chloro-1-hydroxy-3-methyl-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)ethanone

C19H21ClO8 (412.0925)


   

(2r)-2-{[3-(3-bromo-4-methoxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}-5-carbamimidamidopentanoic acid

(2r)-2-{[3-(3-bromo-4-methoxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}-5-carbamimidamidopentanoic acid

C16H21BrN4O4 (412.0746)


   

3,17-dihydroxy-14-(hydroxymethyl)-6,6,7-trimethyl-8-oxa-15,16-dithia-12,18-diazapentacyclo[12.2.2.0¹,¹².0³,¹¹.0⁵,⁹]octadeca-5(9),17-diene-4,13-dione

3,17-dihydroxy-14-(hydroxymethyl)-6,6,7-trimethyl-8-oxa-15,16-dithia-12,18-diazapentacyclo[12.2.2.0¹,¹².0³,¹¹.0⁵,⁹]octadeca-5(9),17-diene-4,13-dione

C17H20N2O6S2 (412.0763)


   

2,3,4,9-tetrahydroxy-2-methyl-5,10-dioxo-11-(λ⁵-diazynylidene)-1h,3h,4h-benzo[b]fluoren-1-yl acetate

2,3,4,9-tetrahydroxy-2-methyl-5,10-dioxo-11-(λ⁵-diazynylidene)-1h,3h,4h-benzo[b]fluoren-1-yl acetate

C20H16N2O8 (412.0907)


   

methyl 2-[(3e)-7,8-dihydroxy-1,5-dioxofuro[3,4-c]isochromen-3-ylidene]-2-(3,4-dihydroxyphenyl)acetate

methyl 2-[(3e)-7,8-dihydroxy-1,5-dioxofuro[3,4-c]isochromen-3-ylidene]-2-(3,4-dihydroxyphenyl)acetate

C20H12O10 (412.043)


   

(2s,3s,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),4,11(15),12-tetraene-9,16-dione

(2s,3s,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),4,11(15),12-tetraene-9,16-dione

C22H21ClN2O2S (412.1012)


   

3,5-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[(sulfooxy)methyl]oxan-2-yl]oxy}benzoic acid

3,5-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[(sulfooxy)methyl]oxan-2-yl]oxy}benzoic acid

C13H16O13S (412.0312)


   

(1r,3s,7r,11r,14r)-3,17-dihydroxy-14-(hydroxymethyl)-6,6,7-trimethyl-8-oxa-15,16-dithia-12,18-diazapentacyclo[12.2.2.0¹,¹².0³,¹¹.0⁵,⁹]octadeca-5(9),17-diene-4,13-dione

(1r,3s,7r,11r,14r)-3,17-dihydroxy-14-(hydroxymethyl)-6,6,7-trimethyl-8-oxa-15,16-dithia-12,18-diazapentacyclo[12.2.2.0¹,¹².0³,¹¹.0⁵,⁹]octadeca-5(9),17-diene-4,13-dione

C17H20N2O6S2 (412.0763)


   

4-[3,7-bis(acetyloxy)-5-hydroxy-4-oxochromen-2-yl]phenyl acetate

4-[3,7-bis(acetyloxy)-5-hydroxy-4-oxochromen-2-yl]phenyl acetate

C21H16O9 (412.0794)


   

3-[(7-chloro-2h-1,3-benzodioxol-5-yl)methyl]-4-isopropyl-5-[(4-methoxyphenyl)methylidene]furan-2-one

3-[(7-chloro-2h-1,3-benzodioxol-5-yl)methyl]-4-isopropyl-5-[(4-methoxyphenyl)methylidene]furan-2-one

C23H21ClO5 (412.1077)


   

3-hydroxy-6,8-dimethoxy-7-[(6-methoxy-2-oxochromen-7-yl)oxy]chromen-2-one

3-hydroxy-6,8-dimethoxy-7-[(6-methoxy-2-oxochromen-7-yl)oxy]chromen-2-one

C21H16O9 (412.0794)


   

3-bromo-6-[2-(carboxymethyl)-5-isopropyl-2-methylcyclopentyl]-2-hydroxy-4-methylbenzoic acid

3-bromo-6-[2-(carboxymethyl)-5-isopropyl-2-methylcyclopentyl]-2-hydroxy-4-methylbenzoic acid

C19H25BrO5 (412.0885)


   

methyl 13,15-dichloro-14-hydroxy-6-methoxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaene-5-carboxylate

methyl 13,15-dichloro-14-hydroxy-6-methoxy-4,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaene-5-carboxylate

C18H14Cl2O7 (412.0117)


   

3-bromo-6-[(1s,2s,5r)-2-(carboxymethyl)-5-isopropyl-2-methylcyclopentyl]-2-hydroxy-4-methylbenzoic acid

3-bromo-6-[(1s,2s,5r)-2-(carboxymethyl)-5-isopropyl-2-methylcyclopentyl]-2-hydroxy-4-methylbenzoic acid

C19H25BrO5 (412.0885)


   

4-[2-amino-1-(6-bromo-1h-indol-3-yl)ethyl]-3-(2-aminoethyl)-1h-indol-5-ol

4-[2-amino-1-(6-bromo-1h-indol-3-yl)ethyl]-3-(2-aminoethyl)-1h-indol-5-ol

C20H21BrN4O (412.0899)


   

(5e)-3-[(7-chloro-2h-1,3-benzodioxol-5-yl)methyl]-4-isopropyl-5-[(4-methoxyphenyl)methylidene]furan-2-one

(5e)-3-[(7-chloro-2h-1,3-benzodioxol-5-yl)methyl]-4-isopropyl-5-[(4-methoxyphenyl)methylidene]furan-2-one

C23H21ClO5 (412.1077)


   

(2r)-2-{[(2e)-3-(3-bromo-4-methoxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}-5-carbamimidamidopentanoic acid

(2r)-2-{[(2e)-3-(3-bromo-4-methoxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}-5-carbamimidamidopentanoic acid

C16H21BrN4O4 (412.0746)


   

3-[7-(2,4-dihydroxy-6-methylbenzoyloxy)-7-methyl-6,8-dioxoisochromen-3-yl]prop-2-enoic acid

3-[7-(2,4-dihydroxy-6-methylbenzoyloxy)-7-methyl-6,8-dioxoisochromen-3-yl]prop-2-enoic acid

C21H16O9 (412.0794)


   

{3,4,5-trihydroxy-6-[(2-oxo-5h-furan-3-yl)methoxy]oxan-2-yl}methyl 3,4-dihydroxybenzoate

{3,4,5-trihydroxy-6-[(2-oxo-5h-furan-3-yl)methoxy]oxan-2-yl}methyl 3,4-dihydroxybenzoate

C18H20O11 (412.1006)


   

methyl 13,15-dichloro-6,14-dihydroxy-4,7,12-trimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylate

methyl 13,15-dichloro-6,14-dihydroxy-4,7,12-trimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylate

C18H14Cl2O7 (412.0117)


   

(1s,2r,3r,4r)-5-cyano-1,2,3,7-tetrahydroxy-3-methyl-6,11-dioxo-1h,2h,4h-benzo[b]carbazol-4-yl acetate

(1s,2r,3r,4r)-5-cyano-1,2,3,7-tetrahydroxy-3-methyl-6,11-dioxo-1h,2h,4h-benzo[b]carbazol-4-yl acetate

C20H16N2O8 (412.0907)


   

(5z)-3-[(7-chloro-2h-1,3-benzodioxol-5-yl)methyl]-4-isopropyl-5-[(4-methoxyphenyl)methylidene]furan-2-one

(5z)-3-[(7-chloro-2h-1,3-benzodioxol-5-yl)methyl]-4-isopropyl-5-[(4-methoxyphenyl)methylidene]furan-2-one

C23H21ClO5 (412.1077)


   

4,5-dihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid

4,5-dihydroxy-6-{[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid

C21H16O9 (412.0794)


   

(1r,2r,3r,4s)-2-(acetyloxy)-11-(diazyn-1-ium-1-yl)-1,3,4,10-tetrahydroxy-2-methyl-5-oxo-1h,3h,4h-benzo[b]fluoren-9-olate

(1r,2r,3r,4s)-2-(acetyloxy)-11-(diazyn-1-ium-1-yl)-1,3,4,10-tetrahydroxy-2-methyl-5-oxo-1h,3h,4h-benzo[b]fluoren-9-olate

C20H16N2O8 (412.0907)