Exact Mass: 317.0569

Exact Mass Matches: 317.0569

Found 61 metabolites which its exact mass value is equals to given mass value 317.0569, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Nilutamide

5,5-Dimethyl-3-(4-nitro-3-(trifluoromethyl)phenyl)- 2,4-imidazolidinedione

C12H10F3N3O4 (317.0623)


Nilutamide is an antineoplastic hormonal agent primarily used in the treatment of prostate cancer. Nilutamide is a pure, nonsteroidal anti-androgen with affinity for androgen receptors (but not for progestogen, estrogen, or glucocorticoid receptors). Consequently, Nilutamide blocks the action of androgens of adrenal and testicular origin that stimulate the growth of normal and malignant prostatic tissue. Prostate cancer is mostly androgen-dependent and can be treated with surgical or chemical castration. To date, antiandrogen monotherapy has not consistently been shown to be equivalent to castration. CONFIDENCE standard compound; INTERNAL_ID 279; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4399; ORIGINAL_PRECURSOR_SCAN_NO 4395 CONFIDENCE standard compound; INTERNAL_ID 279; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4426; ORIGINAL_PRECURSOR_SCAN_NO 4421 CONFIDENCE standard compound; INTERNAL_ID 279; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4395; ORIGINAL_PRECURSOR_SCAN_NO 4393 CONFIDENCE standard compound; INTERNAL_ID 279; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4406; ORIGINAL_PRECURSOR_SCAN_NO 4401 CONFIDENCE standard compound; INTERNAL_ID 279; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4403; ORIGINAL_PRECURSOR_SCAN_NO 4401 CONFIDENCE standard compound; INTERNAL_ID 279; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4490; ORIGINAL_PRECURSOR_SCAN_NO 4487 L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BB - Anti-androgens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000726 - Androgen Antagonists C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C146993 - Androgen Receptor Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen D000970 - Antineoplastic Agents

   

N-Glycolyl-D-mannosamine 6-phosphate

N-Glycolyl-D-mannosamine 6-phosphate

C8H16NO10P (317.0512)


   

7,8-Dihydroneopterin 2,3-cyclic phosphate

7,8-dihydro-D-neopterin 2,3-cyclic phosphate

C9H12N5O6P (317.0525)


   

Petunidin

2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1lambda4-chromen-1-ylium

C16H13O7+ (317.0661)


Petunidin, also known as petunidin chloride (CAS: 1429-30-7), belongs to the class of organic compounds known as 3-O-methylated flavonoids. These are flavonoids with methoxy groups attached to the C3 atom of the flavonoid backbone. Petunidin is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, petunidin has been detected, but not quantified in, several different foods, such as saffrons, french plantains, highbush blueberries, bilberries, and fruits. This could make petunidin a potential biomarker for the consumption of these foods. Petunidin is an anthocyanin. Anthocyanins are water-soluble pigments belonging to the flavonoids compound family that are widespread in nature and involved in numerous functions such as flower, fruit, and seed pigmentation to attract pollinators, seed dispersion, UV light protection, and plant defence against pathogen attack. Because anthocyanins impart much of the colour and flavour of fruits and vegetables, they are usually components of the human diet and are not only considered exclusively as food products but also as therapeutic agents. In fact, anthocyanins have been suggested to protect against oxidative stress, coronary heart diseases, certain cancers, and other age-related diseases. At least part of these presumed health-promoting features can be attributed to the antioxidant properties of these compounds whose chemical structure appears ideal for free radical scavenging (PMID: 16277406). BioTransformer predicts that petunidin is a product of peonidin metabolism via a hydroxylation-of-benzene-ortho-to-edg reaction catalyzed by the CYP1A2, CYP2C9, and CYP3A4 enzymes (PMID: 30612223). Isolated from bilberries (Vaccinium myrtillus), giant granadilla (Passiflora quadrangularis), Amonum subulatum (Nepal cardamon) and other plantsand is also found in red table wine and red wine vinegar. Glycosides also widely distributed

   

2,3,4-Tri-O-acetylarabinopyranosyl isothiocyanate

2,3,4-Tri-O-acetylarabinopyranosyl isothiocyanic acid

C12H15NO7S (317.0569)


   
   

Pulchellidin

3,7,3,4,5-Pentahydroxy-5-methoxyflavylium

C16H13O7 (317.0661)


   
   

1-{3-[(4-chlorophenyl)sulfonyl]-2-hydroxypropyl}-2-pyrrolidinone

1-{3-[(4-chlorophenyl)sulfonyl]-2-hydroxypropyl}-2-pyrrolidinone

C13H16ClNO4S (317.0489)


   
   
   
   

petunidin

petunidin

[C16H13O7]+ (317.0661)


Acquisition and generation of the data is financially supported in part by CREST/JST.

   
   

petunidin

petunidin

C16H13O7+ (317.0661)


An anthocyanidin cation that is flavylium bearing five hydroxy substituents at positions 3, 3, 4, 5 and 7 as well as a methoxy substituent at position 5.

   

3-[[2-(5-nitropyridin-2-yl)oxyacetyl]amino]benzoic acid

3-[[2-(5-nitropyridin-2-yl)oxyacetyl]amino]benzoic acid

C14H11N3O6 (317.0648)


   

D-(-)-p-Hydroxy phenyl glycine methyl potassium

D-(-)-p-Hydroxy phenyl glycine methyl potassium

C14H16KNO5 (317.0666)


   

Poly(3-hexylthiophene-2,5-diyl)

Poly(3-hexylthiophene-2,5-diyl)

C13H16ClNO4S (317.0489)


   

4-Nitrophenyl 1-thio-β-D-galactopyranoside

4-Nitrophenyl 1-thio-β-D-galactopyranoside

C12H15NO7S (317.0569)


   

tert-Butyl 3-(((trifluoromethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate

tert-Butyl 3-(((trifluoromethyl)sulfonyl)oxy)-2,5-dihydro-1H-pyrrole-1-carboxylate

C10H14F3NO5S (317.0545)


   

2,5-DIOXOPYRROLIDIN-1-YL 7-METHOXY-2-OXO-2H-CHROMENE-3-CARBOXYLATE

2,5-DIOXOPYRROLIDIN-1-YL 7-METHOXY-2-OXO-2H-CHROMENE-3-CARBOXYLATE

C15H11NO7 (317.0535)


   

4-Nitrophenylb-D-thiomannopyranoside

4-Nitrophenylb-D-thiomannopyranoside

C12H15NO7S (317.0569)


   

2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane

2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane

C12H17Cl2N3OSi (317.0518)


   

5-(2-AMINO-4-CARBOXYPHENOXY)ISOPHTHALIC ACID

5-(2-AMINO-4-CARBOXYPHENOXY)ISOPHTHALIC ACID

C15H11NO7 (317.0535)


   

1H-Pyrrolo[2,3-b]pyridine, 1-[(4-methylphenyl)sulfonyl]-4-nitro-

1H-Pyrrolo[2,3-b]pyridine, 1-[(4-methylphenyl)sulfonyl]-4-nitro-

C14H11N3O4S (317.047)


   

Dabuzalgron

Dabuzalgron

C12H16ClN3O3S (317.0601)


C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist Dabuzalgron (Ro 115-1240) is an orally active and selective α-1A adrenergic receptor agonist for the treatment of urinary incontinence. Dabuzalgron protects against Doxorubicin-induced cardiotoxicity by preserving mitochondrial function[1].

   

o-nitrophenyl-1-thio-beta-d-galactopyranoside

o-nitrophenyl-1-thio-beta-d-galactopyranoside

C12H15NO7S (317.0569)


   

1-Phenethylpiperidine

1-Phenethylpiperidine

C13H20IN (317.064)


   

8-CHLORO-1-(2-FLUORO-6-METHOXYPHENYL)-3H-BENZO[C]AZEPIN-5(4H)-ONE

8-CHLORO-1-(2-FLUORO-6-METHOXYPHENYL)-3H-BENZO[C]AZEPIN-5(4H)-ONE

C17H13ClFNO2 (317.0619)


   

2-(4-chlorophenyl)7-methyl-5-oxo-2-phenyl-5H-imidazo1,2-aüpyrimidin-8(5H)-ylüacetic acid

2-(4-chlorophenyl)7-methyl-5-oxo-2-phenyl-5H-imidazo1,2-aüpyrimidin-8(5H)-ylüacetic acid

C15H12ClN3O3 (317.0567)


   

N-Cbz-4-piperidine sulfonyl chloride

N-Cbz-4-piperidine sulfonyl chloride

C13H16ClNO4S (317.0489)


   

Ethyl 6-(2-nitrophenyl)imidazo[2,1-b]thiazole-3-carboxylate

Ethyl 6-(2-nitrophenyl)imidazo[2,1-b]thiazole-3-carboxylate

C14H11N3O4S (317.047)


   

Para-nitrophenyl 1-thio-beta-d-glucopyranoside

Para-nitrophenyl 1-thio-beta-d-glucopyranoside

C12H15NO7S (317.0569)


   
   

N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetohydrazide

N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetohydrazide

C15H12FN3O2S (317.0634)


   

(5Z)-3-ethyl-5-[(2-methyl-2H-chromen-3-yl)methylene]-2-thioxo-thiazolidin-4-one

(5Z)-3-ethyl-5-[(2-methyl-2H-chromen-3-yl)methylene]-2-thioxo-thiazolidin-4-one

C16H15NO2S2 (317.0544)


   

5-[3-[(4-methylphenyl)methoxy]-2-thiophenyl]-3-(methylthio)-1H-1,2,4-triazole

5-[3-[(4-methylphenyl)methoxy]-2-thiophenyl]-3-(methylthio)-1H-1,2,4-triazole

C15H15N3OS2 (317.0656)


   

N-(1,3-benzodioxol-5-yl)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carboxamide

N-(1,3-benzodioxol-5-yl)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carboxamide

C14H11N3O4S (317.047)


   

5-(6-Amino-9h-Purin-9-Yl)-4-Hydroxytetrahydrofuran-3-Yl Dihydrogen Phosphate

5-(6-Amino-9h-Purin-9-Yl)-4-Hydroxytetrahydrofuran-3-Yl Dihydrogen Phosphate

C9H12N5O6P (317.0525)


   

o-Orsellinate depsidate(1-)

o-Orsellinate depsidate(1-)

C16H13O7- (317.0661)


   

Octoketide 4b

Octoketide 4b

C16H13O7- (317.0661)


   
   

Atrochrysone carboxylate

Atrochrysone carboxylate

C16H13O7- (317.0661)


   

(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(2-nitrophenyl)sulfanyloxane-3,4,5-triol

(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(2-nitrophenyl)sulfanyloxane-3,4,5-triol

C12H15NO7S (317.0569)


   

beta-citryl-L-glutamine

beta-citryl-L-glutamine

C11H13N2O9-3 (317.0621)


   

(+)-3-Methyltaxifolin

(+)-3-Methyltaxifolin

C16H13O7- (317.0661)


   

1-(6-sulfo-alpha-D-quinovosyl)glycerol

1-(6-sulfo-alpha-D-quinovosyl)glycerol

C9H17O10S- (317.0542)


   

1-Sulfoquinovosylglycerol

1-Sulfoquinovosylglycerol

C9H17O10S- (317.0542)


   

3-Methyl-2-[2-(4-methyl-5-thiazolyl)ethylthio]-4-quinazolinone

3-Methyl-2-[2-(4-methyl-5-thiazolyl)ethylthio]-4-quinazolinone

C15H15N3OS2 (317.0656)


   

N-glycoloyl-D-glucosamine 6-phosphate

N-glycoloyl-D-glucosamine 6-phosphate

C8H16NO10P (317.0512)


   

Demethylsulochrin(1-)

Demethylsulochrin(1-)

C16H13O7- (317.0661)


   

N-glycoloyl-D-mannosamine 6-phosphate

N-glycoloyl-D-mannosamine 6-phosphate

C8H16NO10P (317.0512)


   

5-(2-Chlorophenyl)-7-(dihydroxyamino)-1,3-dihydro-1,4-benzodiazepin-2-one

5-(2-Chlorophenyl)-7-(dihydroxyamino)-1,3-dihydro-1,4-benzodiazepin-2-one

C15H12ClN3O3 (317.0567)


   

nilutamide

nilutamide

C12H10F3N3O4 (317.0623)


L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BB - Anti-androgens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000726 - Androgen Antagonists C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C146993 - Androgen Receptor Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen D000970 - Antineoplastic Agents

   

7,8-dihydro-D-neopterin 2,3-cyclic phosphate

7,8-dihydro-D-neopterin 2,3-cyclic phosphate

C9H12N5O6P (317.0525)


   

N-Glycolyl-mannosamine 6-phosphate

N-Glycolyl-mannosamine 6-phosphate

C8H16NO10P (317.0512)


   

(4s,5s)-1,1-dichloro-4-ethyl-5-(4-nitrophenyl)hexan-2-one

(4s,5s)-1,1-dichloro-4-ethyl-5-(4-nitrophenyl)hexan-2-one

C14H17Cl2NO3 (317.0585)


   

1,1-dichloro-4-ethyl-5-(4-nitrophenyl)hexan-2-one

1,1-dichloro-4-ethyl-5-(4-nitrophenyl)hexan-2-one

C14H17Cl2NO3 (317.0585)


   

(4r)-2-hydroxy-4-[(s)-hydroxy(4-hydroxy-2-imino-7,8-dihydro-1h-pteridin-6-yl)methyl]-1,3,2λ⁵-dioxaphospholan-2-one

(4r)-2-hydroxy-4-[(s)-hydroxy(4-hydroxy-2-imino-7,8-dihydro-1h-pteridin-6-yl)methyl]-1,3,2λ⁵-dioxaphospholan-2-one

C9H12N5O6P (317.0525)


   

2-hydroxy-4-[hydroxy(4-hydroxy-2-imino-7,8-dihydro-1h-pteridin-6-yl)methyl]-1,3,2λ⁵-dioxaphospholan-2-one

2-hydroxy-4-[hydroxy(4-hydroxy-2-imino-7,8-dihydro-1h-pteridin-6-yl)methyl]-1,3,2λ⁵-dioxaphospholan-2-one

C9H12N5O6P (317.0525)


   

(2-{7-bromo-9h-pyrido[3,4-b]indol-1-yl}ethyl)dimethylamine

(2-{7-bromo-9h-pyrido[3,4-b]indol-1-yl}ethyl)dimethylamine

C15H16BrN3 (317.0528)