Exact Mass: 314.1316

Exact Mass Matches: 314.1316

Found 148 metabolites which its exact mass value is equals to given mass value 314.1316, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

   

Ranitidine

Ranitidine

C13H22N4O3S (314.1413)


KEIO_ID R041; [MS2] KO009222 KEIO_ID R041; [MS3] KO009225 KEIO_ID R041; [MS3] KO009224 KEIO_ID R041

   

Ratic

Ranitidine

C13H22N4O3S (314.1413)


A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BA - H2-receptor antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1945; ORIGINAL_PRECURSOR_SCAN_NO 1942 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1940; ORIGINAL_PRECURSOR_SCAN_NO 1938 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1950; ORIGINAL_PRECURSOR_SCAN_NO 1947 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1935; ORIGINAL_PRECURSOR_SCAN_NO 1932 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1990; ORIGINAL_PRECURSOR_SCAN_NO 1987 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1943; ORIGINAL_PRECURSOR_SCAN_NO 1940 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4078; ORIGINAL_PRECURSOR_SCAN_NO 4074 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4083; ORIGINAL_PRECURSOR_SCAN_NO 4078 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4111; ORIGINAL_PRECURSOR_SCAN_NO 4107 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4113; ORIGINAL_PRECURSOR_SCAN_NO 4111 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4107; ORIGINAL_PRECURSOR_SCAN_NO 4106 CONFIDENCE standard compound; INTERNAL_ID 4121 INTERNAL_ID 4121; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 1115 INTERNAL_ID 1115; CONFIDENCE standard compound

   

(R)-3-(METHYLAMINO)-1-PHENYLPROPANOLHYDROCHLORIDE

1-(2-Hydroxy-3-methylnaphthalen-1-yl)-3-methylnaphthalen-2-ol

C22H18O2 (314.1307)


   

Ranitidine

dimethyl[(5-{[(2-{[(E)-1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}furan-2-yl)methyl]amine

C13H22N4O3S (314.1413)


Ranitidine (CAS: 66357-35-5) is a non-imidazole blocker of histamine receptors that mediate gastric secretion (H2 receptors). It is used to treat gastrointestinal ulcers (PubChem). Ranitidine is a histamine H2-receptor antagonist that inhibits stomach acid production and is commonly used in the treatment of peptic ulcer disease (PUD) and gastroesophageal reflux disease (GERD). It is currently marketed by GlaxoSmithKline under the trade name Zantac (Wikipedia). A non-imidazole blocker of those histamine receptors that mediate gastric secretion (H2 receptors). It is used to treat gastrointestinal ulcers. -- Pubchem; Ranitidine is a histamine H2-receptor antagonist that inhibits stomach acid production, and commonly used in the treatment of peptic ulcer disease (PUD) and gastroesophageal reflux disease (GERD). It is currently marketed by GlaxoSmithKline under the trade name Zantac. -- Wikipedia [HMDB] A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BA - H2-receptor antagonists C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents

   

Litcubinine

2,9,10-trihydroxy-3-methoxy-7-methyl-5H,6H,7H,12H,12aH-indolo[2,1-a]isoquinolin-7-ium

C18H20NO4+ (314.1392)


Litcubinine is found in fruits. Litcubinine is an alkaloid from the roots of Litsea cubeba (mountain pepper

   

N-[2-[[5-[(Dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-N'-methyl-2-nitroethanimidamide

(1E)-N-{2-[({5-[(Dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}-N-methylnitroethanimidamide

C13H22N4O3S (314.1413)


   

3-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]-dihydrofuran-2-one

3-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]-dihydrofuran-2-one

C15H17F3N2O2 (314.1242)


   

Methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate

Methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylic acid

C17H18N2O4 (314.1267)


   

Molinate

2-[6-(morpholin-4-yl)pyrimidin-4-yl]-4-(1H-1,2,3-triazol-1-yl)-2,3-dihydro-1H-pyrazol-3-one

C13H14N8O2 (314.124)


   

Ranisen

1-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulphanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine

C13H22N4O3S (314.1413)


   

Cyclopropyl-methoxycarbonyl metomidate

1-(Methoxycarbonyl)cyclopropyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylic acid

C17H18N2O4 (314.1267)


D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists

   

Ratic

Ranitidine

C13H22N4O3S (314.1413)


A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BA - H2-receptor antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 196

   
   

Juniperoside II

Juniperoside II

C15H22O7 (314.1365)


   
   
   

1alpha-Hydroxypseudoanisatin

1alpha-Hydroxypseudoanisatin

C15H22O7 (314.1365)


   

1,1-(2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone

1,1-(2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone

C17H18N2O4 (314.1267)


   

8alpha-hydroxy-10-deoxycyclomerrillianolide

8alpha-hydroxy-10-deoxycyclomerrillianolide

C15H22O7 (314.1365)


   

neodunnianin

neodunnianin

C15H22O7 (314.1365)


   

1alpha,2alpha,3alpha,4alpha,10alpha-Pentahydroxyguaia-11(13)ene-12,6alpha-olide

1alpha,2alpha,3alpha,4alpha,10alpha-Pentahydroxyguaia-11(13)ene-12,6alpha-olide

C15H22O7 (314.1365)


   

1-(4-hydroxyphenyl)-2-propanol 4-O-beta-D-glucopyranoside

1-(4-hydroxyphenyl)-2-propanol 4-O-beta-D-glucopyranoside

C15H22O7 (314.1365)


   

10??-Hydroxypseudoanisatin

10??-Hydroxypseudoanisatin

C15H22O7 (314.1365)


   

10??-Hydroxycyclopseudoanisatin

10??-Hydroxycyclopseudoanisatin

C15H22O7 (314.1365)


   

(2S,3R,3aR,4R,4S,5R,7R,8aR)-octahydro-3,4-dihydroxy-3-(hydroxymethyl)-5-methyl-3H-spiro[4,7-methanofuro[3,2-c]oxepine-2,2-pyran]-6(4H)-one|glochicoccin A

(2S,3R,3aR,4R,4S,5R,7R,8aR)-octahydro-3,4-dihydroxy-3-(hydroxymethyl)-5-methyl-3H-spiro[4,7-methanofuro[3,2-c]oxepine-2,2-pyran]-6(4H)-one|glochicoccin A

C15H22O7 (314.1365)


   

Gramilaurone

Gramilaurone

C15H22O7 (314.1365)


   

1alpha-hydroxypseudoanisatin|1??-Hydroxypseudoanisatin

1alpha-hydroxypseudoanisatin|1??-Hydroxypseudoanisatin

C15H22O7 (314.1365)


   
   

Dimethyl (methylenebis(4,1-phenylene))dicarbamate

Dimethyl (methylenebis(4,1-phenylene))dicarbamate

C17H18N2O4 (314.1267)


   

1-(4-methoxy-2,5-dimethylphenyl)-beta-D-glucopyranose|dunnianoside H

1-(4-methoxy-2,5-dimethylphenyl)-beta-D-glucopyranose|dunnianoside H

C15H22O7 (314.1365)


   

grevilloside G

grevilloside G

C15H22O7 (314.1365)


   

1,13,14-trihydroxy-3,4-anhydrofloridanolide|dunnianolide B

1,13,14-trihydroxy-3,4-anhydrofloridanolide|dunnianolide B

C15H22O7 (314.1365)


   

(11)7,14-ortholactone of 14-hydroxy-3-oxofloridanolide

(11)7,14-ortholactone of 14-hydroxy-3-oxofloridanolide

C15H22O7 (314.1365)


   

merrillianolide

merrillianolide

C15H22O7 (314.1365)


   

11,13-dihydro-15-carboxyelemane

11,13-dihydro-15-carboxyelemane

C15H22O7 (314.1365)


   

2alpha-hydroxycycloparviflorolide

2alpha-hydroxycycloparviflorolide

C15H22O7 (314.1365)


   

cyclomerrillianolide

cyclomerrillianolide

C15H22O7 (314.1365)


   

Penicillin DF

Penicillin DF

C14H22N2O4S (314.13)


   
   

trimethylene bis(4-aminobenzoate)

Propane-1,3-diyl bis(4-aminobenzoate)

C17H18N2O4 (314.1267)


CONFIDENCE standard compound; INTERNAL_ID 291; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7854; ORIGINAL_PRECURSOR_SCAN_NO 7850 CONFIDENCE standard compound; INTERNAL_ID 291; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7867; ORIGINAL_PRECURSOR_SCAN_NO 7864 CONFIDENCE standard compound; INTERNAL_ID 291; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7905; ORIGINAL_PRECURSOR_SCAN_NO 7903 CONFIDENCE standard compound; INTERNAL_ID 291; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7898; ORIGINAL_PRECURSOR_SCAN_NO 7895 CONFIDENCE standard compound; INTERNAL_ID 291; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7906; ORIGINAL_PRECURSOR_SCAN_NO 7902

   

Litcubinine

2,9,10-trihydroxy-3-methoxy-7-methyl-5H,6H,7H,12H,12aH-indolo[2,1-a]isoquinolin-7-ium

C18H20NO4 (314.1392)


   

1,2,4-triphenylbutane-1,4-dione

1,2,4-triphenylbutane-1,4-dione

C22H18O2 (314.1307)


   
   

(R,R)-(+)-1,2-DI(1-NAPHTHYL)-1,2-ETHANEDIOL

(R,R)-(+)-1,2-DI(1-NAPHTHYL)-1,2-ETHANEDIOL

C22H18O2 (314.1307)


   

4-(2-Boc-amino-pyridin-4-yl)-benzoic acid

4-(2-Boc-amino-pyridin-4-yl)-benzoic acid

C17H18N2O4 (314.1267)


   

N-Fmoc-L-Alanine-3,3,3-D3

N-Fmoc-L-Alanine-3,3,3-D3

C18H14D3NO4 (314.1346)


   

N1,N3-BIS(2-METHOXYPHENYL)MALONAMIDE

N1,N3-BIS(2-METHOXYPHENYL)MALONAMIDE

C17H18N2O4 (314.1267)


   

2-[[2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetyl]amino]acetic acid

2-[[2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetyl]amino]acetic acid

C17H18N2O4 (314.1267)


   

4-[(4-METHYL-BENZYLAMINO)-METHYL]-3-NITRO-BENZOICACIDMETHYLESTER

4-[(4-METHYL-BENZYLAMINO)-METHYL]-3-NITRO-BENZOICACIDMETHYLESTER

C17H18N2O4 (314.1267)


   

(S S)-(-)-1-(1-NAPHTHYL)-2-(2-NAPHTHYL)&

(S S)-(-)-1-(1-NAPHTHYL)-2-(2-NAPHTHYL)&

C22H18O2 (314.1307)


   

2-((tert-Butyldiphenylsilyl)oxy)acetic acid

2-((tert-Butyldiphenylsilyl)oxy)acetic acid

C18H22O3Si (314.1338)


   

(S,S)-(-)-1,2-DI(1-NAPHTHYL)-1,2-ETHANEDIOL

(S,S)-(-)-1,2-DI(1-NAPHTHYL)-1,2-ETHANEDIOL

C22H18O2 (314.1307)


   

6,6?ˉ-DIMETHYL-1,1?ˉ-BI-2-NAPHTHOL

6,6?ˉ-DIMETHYL-1,1?ˉ-BI-2-NAPHTHOL

C22H18O2 (314.1307)


   

4-(1-Phenyl-1H-benzimidazol-2-yl)phenylboronic acid

4-(1-Phenyl-1H-benzimidazol-2-yl)phenylboronic acid

C19H15BN2O2 (314.1227)


   

2-(4-((TERT-BUTOXYCARBONYL)AMINO)PHENYL)NICOTINIC ACID

2-(4-((TERT-BUTOXYCARBONYL)AMINO)PHENYL)NICOTINIC ACID

C17H18N2O4 (314.1267)


   

phenmedipham-ethyl

phenmedipham-ethyl

C17H18N2O4 (314.1267)


   

Methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate

DMCM hydrochloride,4-Ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylicacidmethylesterhydrochloride

C17H18N2O4 (314.1267)


D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants

   

[4-(2-Phenyl-1H-benzimidazol-1-yl)phenyl]-boronic acid

[4-(2-Phenyl-1H-benzimidazol-1-yl)phenyl]-boronic acid

C19H15BN2O2 (314.1227)


   

2-[4-(4-chlorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[4-(4-chlorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C18H20BClO2 (314.1245)


   

Lorcinadol

Lorcinadol

C17H19ClN4 (314.1298)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent

   

6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline

6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline

C17H18N2O4 (314.1267)


   

3-(1-phenyl-1H-benzo[d]iMidazol-2-yl)phenylboronic acid

3-(1-phenyl-1H-benzo[d]iMidazol-2-yl)phenylboronic acid

C19H15BN2O2 (314.1227)


   

2-[4-[(4-nitrophenyl)diazenyl]-N-(2,2,2-trideuterioethyl)anilino]ethanol

2-[4-[(4-nitrophenyl)diazenyl]-N-(2,2,2-trideuterioethyl)anilino]ethanol

C16H18N4O3 (314.1379)


   

Molidustat

Molidustat

C13H14N8O2 (314.124)


C471 - Enzyme Inhibitor Molidustat (BAY 85-3934) is a novel inhibitor of hypoxia-inducible factor prolyl hydroxylase (HIF-PH) with mean IC50 values of 480 nM for PHD1, 280 nM for PHD2, and 450 nM for PHD3.

   

(E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-2-propenenitrile

(E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-2-propenenitrile

C21H15FN2 (314.1219)


   
   

2,2-Dimethoxy-1,1-binaphthalen

2,2-Dimethoxy-1,1-binaphthalen

C22H18O2 (314.1307)


   

(R,R)-(+)-1-(1-Naphthyl)-2-(2-naphthyl)-1,2-ethanediol

(R,R)-(+)-1-(1-Naphthyl)-2-(2-naphthyl)-1,2-ethanediol

C22H18O2 (314.1307)


   

Cobimetinib intermediate7

Cobimetinib intermediate7

C15H17F3N2O2 (314.1242)


   

4-Chloro-2-fluoro-5-propoxyphenylboronic acid, pinacol ester

4-Chloro-2-fluoro-5-propoxyphenylboronic acid, pinacol ester

C15H21BClFO3 (314.1256)


   

2-(4-Chloro-2-fluoro-5-isopropoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(4-Chloro-2-fluoro-5-isopropoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H21BClFO3 (314.1256)


   

3-(4-((TERT-BUTOXYCARBONYL)AMINO)PHENYL)PICOLINIC ACID

3-(4-((TERT-BUTOXYCARBONYL)AMINO)PHENYL)PICOLINIC ACID

C17H18N2O4 (314.1267)


   

1,1-Binaphthalene, 2,2-dimethoxy-, (±)-

1,1-Binaphthalene, 2,2-dimethoxy-, (±)-

C22H18O2 (314.1307)


   

METHYL 6-(4-METHOXYPHENYLAMINO)-5-OXO-1,2,3,5-TETRAHYDROINDOLIZINE-8-CARBOXYLIATE

METHYL 6-(4-METHOXYPHENYLAMINO)-5-OXO-1,2,3,5-TETRAHYDROINDOLIZINE-8-CARBOXYLIATE

C17H18N2O4 (314.1267)


   

1,2-Hydrazinedicarboxylicacid, 1-methyl-, 1,2-bis(phenylmethyl) ester

1,2-Hydrazinedicarboxylicacid, 1-methyl-, 1,2-bis(phenylmethyl) ester

C17H18N2O4 (314.1267)


   

1H-Imidazole-5-carboxylic acid, 1-((1R)-1-phenylethyl)-, 1-(methoxycarbonyl)cyclopropyl ester

1H-Imidazole-5-carboxylic acid, 1-((1R)-1-phenylethyl)-, 1-(methoxycarbonyl)cyclopropyl ester

C17H18N2O4 (314.1267)


D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists

   

Dimethyl 5,5-methylenedianthranilate

Dimethyl 5,5-methylenedianthranilate

C17H18N2O4 (314.1267)


   

Tolycaine hydrochloride

Tolycaine hydrochloride

C15H23ClN2O3 (314.1397)


   

N-[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]-2-pyrazinecarbohydrazide

N-[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]-2-pyrazinecarbohydrazide

C16H18N4O3 (314.1379)


   

1,4-Dimethoxy-9-phenylanthracene

1,4-Dimethoxy-9-phenylanthracene

C22H18O2 (314.1307)


   

N-[2-(Diethylamino)ethyl]-2-hydroxy-5-(methylsulfonyl)benzamide (Desmethyltiapride)

N-[2-(Diethylamino)ethyl]-2-hydroxy-5-(methylsulfonyl)benzamide (Desmethyltiapride)

C14H22N2O4S (314.13)


   

2-Hydroxy-5-{[(1E)-2-phenylethylidene]amino}-L-tyrosine

2-Hydroxy-5-{[(1E)-2-phenylethylidene]amino}-L-tyrosine

C17H18N2O4 (314.1267)


   

(E)-N-(4-Methylpiperazin-1-yl)-1-[5-(4-nitrophenyl)furan-2-yl]methanimine

(E)-N-(4-Methylpiperazin-1-yl)-1-[5-(4-nitrophenyl)furan-2-yl]methanimine

C16H18N4O3 (314.1379)


   

1-(2,5-Dimethoxyphenyl)sulfonyl-4-ethylpiperazine

1-(2,5-Dimethoxyphenyl)sulfonyl-4-ethylpiperazine

C14H22N2O4S (314.13)


   

N-[2-[(phenylmethyl)amino]-1,3-benzodioxol-2-yl]carbamic acid ethyl ester

N-[2-[(phenylmethyl)amino]-1,3-benzodioxol-2-yl]carbamic acid ethyl ester

C17H18N2O4 (314.1267)


   

3-(2-fluorophenyl)-2-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

3-(2-fluorophenyl)-2-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

C18H16F2N2O (314.1231)


   

N-[2-(1-naphthalenyloxy)-1-oxoethyl]-2-oxolanecarbohydrazide

N-[2-(1-naphthalenyloxy)-1-oxoethyl]-2-oxolanecarbohydrazide

C17H18N2O4 (314.1267)


   

(7-Methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-morpholinyl)methanone

(7-Methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-morpholinyl)methanone

C17H18N2O4 (314.1267)


   

1,4-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol

1,4-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol

C12H18N4O6 (314.1226)


   

N-(3-O-phospho-D-ribulosyl)-cadaverine

N-(3-O-phospho-D-ribulosyl)-cadaverine

C10H23N2O7P (314.1243)


   

3-{(3E)-4-hydroxy-6-oxo-3-[(2-phenylethyl)imino]cyclohexa-1,4-dien-1-yl}-L-alanine

3-{(3E)-4-hydroxy-6-oxo-3-[(2-phenylethyl)imino]cyclohexa-1,4-dien-1-yl}-L-alanine

C17H18N2O4 (314.1267)


A non-proteinogenic L-alpha-amino acid obtained by formal condensation of the 3-oxo group of L-topaquinone with the amino group of 2-phenylethylamine.

   

1,2-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol

1,2-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol

C12H18N4O6 (314.1226)


   

2-[[(2R)-2-acetyloxy-3-methoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[[(2R)-2-acetyloxy-3-methoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C11H25NO7P+ (314.1369)


   
   

2-(3,4-dichlorophenyl)-N-methyl-N-[(1-methylpiperidin-2-yl)methyl]ethanamine

2-(3,4-dichlorophenyl)-N-methyl-N-[(1-methylpiperidin-2-yl)methyl]ethanamine

C16H24Cl2N2 (314.1316)


   

an (S)-cis-N-methyl-7,8,13,14-tetrahydroprotoberberine

an (S)-cis-N-methyl-7,8,13,14-tetrahydroprotoberberine

C18H20NO4+ (314.1392)


   

2-[hydroxy-[(2R)-2-hydroxy-3-propanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium

2-[hydroxy-[(2R)-2-hydroxy-3-propanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium

C11H25NO7P+ (314.1369)


   

[(3R,4R)-1-(5-aminopentylamino)-4,5-dihydroxy-2-oxopentan-3-yl] dihydrogen phosphate

[(3R,4R)-1-(5-aminopentylamino)-4,5-dihydroxy-2-oxopentan-3-yl] dihydrogen phosphate

C10H23N2O7P (314.1243)


   

2-[hydroxy-[(2R)-3-hydroxy-2-propanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium

2-[hydroxy-[(2R)-3-hydroxy-2-propanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium

C11H25NO7P+ (314.1369)


   

2-[Hydroxy-(2-hydroxy-3-propanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium

2-[Hydroxy-(2-hydroxy-3-propanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium

C11H25NO7P+ (314.1369)


   

2-hydroxy-5-[(1E)-(2-phenylethylidene)amino]-L-tyrosine

2-hydroxy-5-[(1E)-(2-phenylethylidene)amino]-L-tyrosine

C17H18N2O4 (314.1267)


An imine that is L-tyrosine bearing an additional hydroxy substituent at position 2 as well as a (2-phenylethylidene)amino substituent at position 5.

   
   
   

2-[(1r,2s,4s,5r,6r)-5-[(1s)-1-carboxy-1-hydroxyethyl]-2-ethenyl-4,6-dihydroxy-2-methylcyclohexyl]prop-2-enoic acid

2-[(1r,2s,4s,5r,6r)-5-[(1s)-1-carboxy-1-hydroxyethyl]-2-ethenyl-4,6-dihydroxy-2-methylcyclohexyl]prop-2-enoic acid

C15H22O7 (314.1365)


   

9h-pyrido[3,4-b]indole-3-carboxylic acid; methyl isobutyrate

9h-pyrido[3,4-b]indole-3-carboxylic acid; methyl isobutyrate

C17H18N2O4 (314.1267)


   

3a-chloro-2-(2-hydroxypropan-2-yl)-6-(3-methylbuta-1,3-dien-1-ylidene)-hexahydro-1-benzofuran-4,5-diol

3a-chloro-2-(2-hydroxypropan-2-yl)-6-(3-methylbuta-1,3-dien-1-ylidene)-hexahydro-1-benzofuran-4,5-diol

C16H23ClO4 (314.1285)


   

(1s,2r,6s,7r,8s,10r,13r)-2,7,8-trihydroxy-6-(hydroxymethyl)-7,13-dimethyl-4,9-dioxatetracyclo[6.5.1.0¹,¹⁰.0⁶,¹⁰]tetradecan-3-one

(1s,2r,6s,7r,8s,10r,13r)-2,7,8-trihydroxy-6-(hydroxymethyl)-7,13-dimethyl-4,9-dioxatetracyclo[6.5.1.0¹,¹⁰.0⁶,¹⁰]tetradecan-3-one

C15H22O7 (314.1365)


   

(2s,3r,4s,5s,6r)-2-{2-[(1s)-1-hydroxyethyl]-3-methylphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{2-[(1s)-1-hydroxyethyl]-3-methylphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C15H22O7 (314.1365)


   

(3as,6r,6ar,7r,8s,9r,9as,9bs)-6,6a,7,8,9-pentahydroxy-6,9-dimethyl-3-methylidene-hexahydro-3ah-azuleno[4,5-b]furan-2-one

(3as,6r,6ar,7r,8s,9r,9as,9bs)-6,6a,7,8,9-pentahydroxy-6,9-dimethyl-3-methylidene-hexahydro-3ah-azuleno[4,5-b]furan-2-one

C15H22O7 (314.1365)


   

4,12,13-trihydroxy-9-(hydroxymethyl)-6,10-dimethyl-3,14-dioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,⁹]tetradecan-5-one

4,12,13-trihydroxy-9-(hydroxymethyl)-6,10-dimethyl-3,14-dioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,⁹]tetradecan-5-one

C15H22O7 (314.1365)


   

1-(4-hydroxyphenyl)-2-propanol

NA

C15H22O7 (314.1365)


{"Ingredient_id": "HBIN001504","Ingredient_name": "1-(4-hydroxyphenyl)-2-propanol","Alias": "NA","Ingredient_formula": "C15H22O7","Ingredient_Smile": "NA","Ingredient_weight": "314.335","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9667","PubChem_id": "NA","DrugBank_id": "NA"}

   

1α-hydroxypseudoanisatin

NA

C15H22O7 (314.1365)


{"Ingredient_id": "HBIN002310","Ingredient_name": "1\u03b1-hydroxypseudoanisatin","Alias": "NA","Ingredient_formula": "C15H22O7","Ingredient_Smile": "CC1(CC(C2(C13CC(=O)C(C2(COC(=O)C3)C)(C)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10667","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

6,6a,7,8,9-pentahydroxy-6,9-dimethyl-3-methylidene-hexahydro-3ah-azuleno[4,5-b]furan-2-one

6,6a,7,8,9-pentahydroxy-6,9-dimethyl-3-methylidene-hexahydro-3ah-azuleno[4,5-b]furan-2-one

C15H22O7 (314.1365)


   

(7s,12ar)-2,9,10-trihydroxy-3-methoxy-7-methyl-5h,6h,12h,12ah-indolo[2,1-a]isoquinolin-7-ium

(7s,12ar)-2,9,10-trihydroxy-3-methoxy-7-methyl-5h,6h,12h,12ah-indolo[2,1-a]isoquinolin-7-ium

[C18H20NO4]+ (314.1392)


   

(1'r,3s,4's,7'r,8's)-6'-hydroxy-1-methoxy-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.0⁴,⁸]undecan]-5'-en-2-one

(1'r,3s,4's,7'r,8's)-6'-hydroxy-1-methoxy-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.0⁴,⁸]undecan]-5'-en-2-one

C17H18N2O4 (314.1267)


   

(1r,2s,5s,6r,10r,13r)-2,5,10,13-tetrahydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.0¹,⁵]tridecane-9,12-dione

(1r,2s,5s,6r,10r,13r)-2,5,10,13-tetrahydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.0¹,⁵]tridecane-9,12-dione

C15H22O7 (314.1365)


   

(2s,5as,7s,9as)-7-bromo-2-ethyl-3,6,6,9a-tetramethyl-2,5,5a,7,8,9-hexahydro-1-benzoxepine

(2s,5as,7s,9as)-7-bromo-2-ethyl-3,6,6,9a-tetramethyl-2,5,5a,7,8,9-hexahydro-1-benzoxepine

C16H27BrO (314.1245)


   

(2s,3r,4s,5s,6r)-2-{2-[(1r)-1-hydroxyethyl]-3-methylphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-{2-[(1r)-1-hydroxyethyl]-3-methylphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C15H22O7 (314.1365)


   

methyl n-[4-({4-[(methoxycarbonyl)amino]phenyl}methyl)phenyl]carbamate

methyl n-[4-({4-[(methoxycarbonyl)amino]phenyl}methyl)phenyl]carbamate

C17H18N2O4 (314.1267)


   

(1s,2r,5s,6s)-2,5,6-trihydroxy-4-(3-hydroxy-3-methylbut-1-en-1-yl)cyclohex-3-en-1-yl 2-(hydroxymethyl)prop-2-enoate

(1s,2r,5s,6s)-2,5,6-trihydroxy-4-(3-hydroxy-3-methylbut-1-en-1-yl)cyclohex-3-en-1-yl 2-(hydroxymethyl)prop-2-enoate

C15H22O7 (314.1365)


   

3-[2-hydroxy-4-methoxy-3-(1,2,3-trihydroxy-3-methylbutyl)phenyl]propanoic acid

3-[2-hydroxy-4-methoxy-3-(1,2,3-trihydroxy-3-methylbutyl)phenyl]propanoic acid

C15H22O7 (314.1365)


   

(3as,6r,6ar,7s,8r,9r,9as,9br)-6,6a,7,8,9-pentahydroxy-6,9-dimethyl-3-methylidene-hexahydro-3ah-azuleno[4,5-b]furan-2-one

(3as,6r,6ar,7s,8r,9r,9as,9br)-6,6a,7,8,9-pentahydroxy-6,9-dimethyl-3-methylidene-hexahydro-3ah-azuleno[4,5-b]furan-2-one

C15H22O7 (314.1365)


   

(3as,6r,6ar,7s,8r,9s,9as,9br)-6,6a,7,8,9-pentahydroxy-6,9-dimethyl-3-methylidene-hexahydro-3ah-azuleno[4,5-b]furan-2-one

(3as,6r,6ar,7s,8r,9s,9as,9br)-6,6a,7,8,9-pentahydroxy-6,9-dimethyl-3-methylidene-hexahydro-3ah-azuleno[4,5-b]furan-2-one

C15H22O7 (314.1365)


   

(1r,2s,4r,9r,11s,12r,13r)-2,11,12-trihydroxy-13-(hydroxymethyl)-12,13-dimethyl-6,14-dioxatetracyclo[9.2.1.0¹,⁹.0⁴,⁹]tetradecan-7-one

(1r,2s,4r,9r,11s,12r,13r)-2,11,12-trihydroxy-13-(hydroxymethyl)-12,13-dimethyl-6,14-dioxatetracyclo[9.2.1.0¹,⁹.0⁴,⁹]tetradecan-7-one

C15H22O7 (314.1365)


   

[6-methyl-7-(methylamino)-5,8-dioxoisoquinolin-1-yl]methyl (2z)-2-methylbut-2-enoate

[6-methyl-7-(methylamino)-5,8-dioxoisoquinolin-1-yl]methyl (2z)-2-methylbut-2-enoate

C17H18N2O4 (314.1267)


   

2,10,13,14-tetrahydroxy-1,5,13-trimethyl-9,11-dioxatetracyclo[6.4.1.1⁶,¹⁰.0²,⁶]tetradecan-3-one

2,10,13,14-tetrahydroxy-1,5,13-trimethyl-9,11-dioxatetracyclo[6.4.1.1⁶,¹⁰.0²,⁶]tetradecan-3-one

C15H22O7 (314.1365)


   

2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)phenoxy]oxane-3,4,5-triol

2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)phenoxy]oxane-3,4,5-triol

C15H22O7 (314.1365)


   

(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[2-(4-methoxyphenyl)ethoxy]oxane-3,4,5-triol

(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[2-(4-methoxyphenyl)ethoxy]oxane-3,4,5-triol

C15H22O7 (314.1365)


   

(12ar)-2,9,10-trihydroxy-3-methoxy-7-methyl-5h,6h,12h,12ah-indolo[2,1-a]isoquinolin-7-ium

(12ar)-2,9,10-trihydroxy-3-methoxy-7-methyl-5h,6h,12h,12ah-indolo[2,1-a]isoquinolin-7-ium

[C18H20NO4]+ (314.1392)


   

2-[5-(1-carboxy-1-hydroxyethyl)-2-ethenyl-4,6-dihydroxy-2-methylcyclohexyl]prop-2-enoic acid

2-[5-(1-carboxy-1-hydroxyethyl)-2-ethenyl-4,6-dihydroxy-2-methylcyclohexyl]prop-2-enoic acid

C15H22O7 (314.1365)


   

[6-methyl-7-(methylamino)-5,8-dioxoisoquinolin-1-yl]methyl 2-methylbut-2-enoate

[6-methyl-7-(methylamino)-5,8-dioxoisoquinolin-1-yl]methyl 2-methylbut-2-enoate

C17H18N2O4 (314.1267)


   

2-[2-(1-hydroxyethyl)-3-methylphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[2-(1-hydroxyethyl)-3-methylphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C15H22O7 (314.1365)


   

(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)phenoxy]oxane-3,4,5-triol

(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[4-(3-hydroxypropyl)phenoxy]oxane-3,4,5-triol

C15H22O7 (314.1365)


   

2,11,12-trihydroxy-13-(hydroxymethyl)-12,13-dimethyl-6,14-dioxatetracyclo[9.2.1.0¹,⁹.0⁴,⁹]tetradecan-7-one

2,11,12-trihydroxy-13-(hydroxymethyl)-12,13-dimethyl-6,14-dioxatetracyclo[9.2.1.0¹,⁹.0⁴,⁹]tetradecan-7-one

C15H22O7 (314.1365)


   

(1s,4s,6s,8s,9r,10s,12r,13s)-4,12,13-trihydroxy-9-(hydroxymethyl)-6,10-dimethyl-3,14-dioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,⁹]tetradecan-5-one

(1s,4s,6s,8s,9r,10s,12r,13s)-4,12,13-trihydroxy-9-(hydroxymethyl)-6,10-dimethyl-3,14-dioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,⁹]tetradecan-5-one

C15H22O7 (314.1365)


   

(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{4-[(2s)-2-hydroxypropyl]phenoxy}oxane-3,4,5-triol

(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{4-[(2s)-2-hydroxypropyl]phenoxy}oxane-3,4,5-triol

C15H22O7 (314.1365)


   

methyl (4r)-2,4-dihydroxy-4-(4-methoxy-6-oxopyran-2-yl)octanoate

methyl (4r)-2,4-dihydroxy-4-(4-methoxy-6-oxopyran-2-yl)octanoate

C15H22O7 (314.1365)


   

3-{2-hydroxy-4-methoxy-3-[(1s,2s)-1,2,3-trihydroxy-3-methylbutyl]phenyl}propanoic acid

3-{2-hydroxy-4-methoxy-3-[(1s,2s)-1,2,3-trihydroxy-3-methylbutyl]phenyl}propanoic acid

C15H22O7 (314.1365)


   

2-(hydroxymethyl)-6-[2-(4-methoxyphenyl)ethoxy]oxane-3,4,5-triol

2-(hydroxymethyl)-6-[2-(4-methoxyphenyl)ethoxy]oxane-3,4,5-triol

C15H22O7 (314.1365)


   

6'-hydroxy-1-methoxy-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.0⁴,⁸]undecan]-5'-en-2-one

6'-hydroxy-1-methoxy-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.0⁴,⁸]undecan]-5'-en-2-one

C17H18N2O4 (314.1267)


   

(1's,2s,2'r,3's,4'r,7'r,9'r,10'r,11's)-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-ene-3',4',10',11'-tetrol

(1's,2s,2'r,3's,4'r,7'r,9'r,10'r,11's)-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-ene-3',4',10',11'-tetrol

C15H22O7 (314.1365)


   

2-(hydroxymethyl)-6-[4-(2-hydroxypropyl)phenoxy]oxane-3,4,5-triol

2-(hydroxymethyl)-6-[4-(2-hydroxypropyl)phenoxy]oxane-3,4,5-triol

C15H22O7 (314.1365)


   

(1r,2r,5r,6s,8r,10r,13r,14r)-2,10,13,14-tetrahydroxy-1,5,13-trimethyl-9,11-dioxatetracyclo[6.4.1.1⁶,¹⁰.0²,⁶]tetradecan-3-one

(1r,2r,5r,6s,8r,10r,13r,14r)-2,10,13,14-tetrahydroxy-1,5,13-trimethyl-9,11-dioxatetracyclo[6.4.1.1⁶,¹⁰.0²,⁶]tetradecan-3-one

C15H22O7 (314.1365)


   

methyl 2,4-dihydroxy-4-(4-methoxy-6-oxopyran-2-yl)octanoate

methyl 2,4-dihydroxy-4-(4-methoxy-6-oxopyran-2-yl)octanoate

C15H22O7 (314.1365)


   

(1s,2s,3r)-3-[(1s)-1-carboxy-1-hydroxyethyl]-2-(4-carboxy-4-methylbut-3-en-1-yl)-2-methylcyclobutane-1-carboxylic acid

(1s,2s,3r)-3-[(1s)-1-carboxy-1-hydroxyethyl]-2-(4-carboxy-4-methylbut-3-en-1-yl)-2-methylcyclobutane-1-carboxylic acid

C15H22O7 (314.1365)


   

2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-ene-3',4',10',11'-tetrol

2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-ene-3',4',10',11'-tetrol

C15H22O7 (314.1365)