Exact Mass: 317.0682

Exact Mass Matches: 317.0682

Found 47 metabolites which its exact mass value is equals to given mass value 317.0682, 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

   

Norsanguinarine

5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0^{2,10}.0^{4,8}.0^{14,22}.0^{17,21}]tetracosa-1(24),2,4(8),9,11,13,15,17(21),22-nonaene

C19H11NO4 (317.0688)


Norsanguinarine is a member of phenanthridines. Norsanguinarine is a natural product found in Fumaria indica, Corydalis balansae, and other organisms with data available. Norsanguinarine is found in opium poppy. Norsanguinarine is an alkaloid from Papaver rhoeas (corn poppy D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids

   

Lettowianthine

3,5-dioxa-11-azahexacyclo[9.9.2.0²,⁶.0⁸,²¹.0¹⁴,²².0¹⁵,²⁰]docosa-1(21),2(6),7,14(22),15,17,19-heptaene-12,13-dione

C19H11NO4 (317.0688)


Lettowianthine is found in alcoholic beverages. Lettowianthine is an alkaloid from Annona glabra (pond apple Alkaloid from Annona glabra (pond apple). Lettowianthine is found in alcoholic beverages and fruits.

   

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

   

Pulchellidin

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

C16H13O7 (317.0661)


   
   
   
   

2-(4-oxo-1-beta-D-ribofuranosyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-acetamide|2-Thiouridin-5-essigsaeureamid|5-carbamoylmethyl-2-thiouridine

2-(4-oxo-1-beta-D-ribofuranosyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-acetamide|2-Thiouridin-5-essigsaeureamid|5-carbamoylmethyl-2-thiouridine

C11H15N3O6S (317.0682)


   

petunidin

petunidin

[C16H13O7]+ (317.0661)


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

   
   

Annobraine

3,5-dioxa-11-azahexacyclo[9.9.2.0^{2,6}.0^{8,21}.0^{14,22}.0^{15,20}]docosa-1,6,8(21),14(22),15,17,19-heptaene-12,13-dione

C19H11NO4 (317.0688)


   

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)


   

L-HISTIDINE, 3-(PHENYLMETHYL)-, DIHYDROCHLORIDE

L-HISTIDINE, 3-(PHENYLMETHYL)-, DIHYDROCHLORIDE

C13H17Cl2N3O2 (317.0698)


   

1-Boc-2-(4-nitrobenzenesulfonyl)hydrazine

1-Boc-2-(4-nitrobenzenesulfonyl)hydrazine

C11H15N3O6S (317.0682)


   

2,4-DICHLORO-6,7,8,9-TETRAHYDRO-5H-PYRIMIDO[4,5-D]AZEPINE

2,4-DICHLORO-6,7,8,9-TETRAHYDRO-5H-PYRIMIDO[4,5-D]AZEPINE

C13H17Cl2N3O2 (317.0698)


   

2-[(4-Methylphenyl)sulfonyl]-5-isoindolinecarboxylic acid

2-[(4-Methylphenyl)sulfonyl]-5-isoindolinecarboxylic acid

C16H15NO4S (317.0722)


   

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].

   

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-chloro-4-(naphthyl-2-yl)-6-phenyl-1,3,5-triazine

2-chloro-4-(naphthyl-2-yl)-6-phenyl-1,3,5-triazine

C19H12ClN3 (317.072)


   

2-Chloro-4-(naphthalen-1-yl)-6-phenyl-1,3,5-triazine

2-Chloro-4-(naphthalen-1-yl)-6-phenyl-1,3,5-triazine

C19H12ClN3 (317.072)


   

Methyl (2E)-3-[3-(phenylsulfamoyl)phenyl]acrylate

Methyl (2E)-3-[3-(phenylsulfamoyl)phenyl]acrylate

C16H15NO4S (317.0722)


   

Poly [[(S)-1-(4-nitrophenyl)-2-pyrrolidinemethyl]acrylate]

Poly [[(S)-1-(4-nitrophenyl)-2-pyrrolidinemethyl]acrylate]

C12H16ClN3O5 (317.0778)


   

2-PHENYL-3-(4-NITROPHENYL)-5-METHYLTETRAZOLIUM CHLORIDE

2-PHENYL-3-(4-NITROPHENYL)-5-METHYLTETRAZOLIUM CHLORIDE

C14H12ClN5O2 (317.0679)


   

TERT-BUTYL 2,4-DICHLORO-5,6,8,9-TETRAHYDROPYRIMIDO[4,5-D]AZEPINE-7-CARBOXYLATE

TERT-BUTYL 2,4-DICHLORO-5,6,8,9-TETRAHYDROPYRIMIDO[4,5-D]AZEPINE-7-CARBOXYLATE

C13H17Cl2N3O2 (317.0698)


   

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

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

C15H12FN3O2S (317.0634)


   

1-[(2-Chlorophenyl)methylideneamino]-3-(2-phenylethyl)thiourea

1-[(2-Chlorophenyl)methylideneamino]-3-(2-phenylethyl)thiourea

C16H16ClN3S (317.0753)


   

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)


   

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)


   

beta-citryl-L-glutamine

beta-citryl-L-glutamine

C11H13N2O9-3 (317.0621)


   

(+)-3-Methyltaxifolin

(+)-3-Methyltaxifolin

C16H13O7- (317.0661)


   

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)


   

Demethylsulochrin(1-)

Demethylsulochrin(1-)

C16H13O7- (317.0661)


   

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

   

Lettowianthine

Lettowianthine

C19H11NO4 (317.0688)


   

(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)


   

3,5-dioxa-11-azahexacyclo[9.9.2.0²,⁶.0⁸,²¹.0¹⁴,²².0¹⁵,²⁰]docosa-1(21),2(6),7,14(22),15(20),16,18-heptaene-12,13-dione

3,5-dioxa-11-azahexacyclo[9.9.2.0²,⁶.0⁸,²¹.0¹⁴,²².0¹⁵,²⁰]docosa-1(21),2(6),7,14(22),15(20),16,18-heptaene-12,13-dione

C19H11NO4 (317.0688)


   

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)


   

5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2(10),3,8,11,14(22),15,17(21),23-nonaene

5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2(10),3,8,11,14(22),15,17(21),23-nonaene

C19H11NO4 (317.0688)