Chemical Formula: C8H9NO2
Chemical Formula C8H9NO2
Found 288 metabolite its formula value is C8H9NO2
2-Phenylglycine
2-Phenylglycine, also known as a-amino-a-toluate or L-PHG amino acid, belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Outside of the human body, 2-Phenylglycine has been detected, but not quantified in cow milk. This could make 2-phenylglycine a potential biomarker for the consumption of these foods. 2-Phenylglycine is a metabolite described in normal human urine (PMID 14473597) and plasma (PMID 5888801). 2-Phenylglycine is a metabolite described in normal human urine (PMID 14473597) and plasma (PMID 5888801) [HMDB]
Acetaminophen
The excellent tolerability of therapeutic doses of paracetamol (acetaminophen) is a major factor in the very wide use of the drug. The major problem in the use of paracetamol is its hepatotoxicity after an overdose. Hepatotoxicity has also been reported after therapeutic doses, but critical analysis indicates that most patients with alleged toxicity from therapeutic doses have taken overdoses. Importantly, prospective studies indicate that therapeutic doses of paracetamol are an unlikely cause of hepatotoxicity in patients who ingest moderate to large amounts of alcohol (PMID: 15733027). Single doses of paracetamol are effective analgesics for acute postoperative pain and give rise to few adverse effects (PMID: 14974073). Acetaminophen (AAP) overdose and the resulting hepatotoxicity is an important clinical problem. In addition, AAP is widely used as a prototype hepatotoxin to study mechanisms of chemical-induced cell injury and to test the hepatoprotective potential of new drugs and herbal medicines. Because of its importance, the mechanisms of AAP-induced liver cell injury have been extensively investigated and controversially discussed for many years (PMID: 16863451). The excellent tolerability of therapeutic doses of paracetamol (acetaminophen) is a major factor in the very wide use of the drug. The major problem in the use of paracetamol is its hepatotoxicity after an overdose. Hepatotoxicity has also been reported after therapeutic doses, but critical analysis indicates that most patients with alleged toxicity from therapeutic doses have taken overdoses. Importantly, prospective studies indicate that therapeutic doses of paracetamol are an unlikely cause of hepatotoxicity in patients who ingest moderate to large amounts of alcohol. (PMID 15733027) N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BE - Anilides C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; INTERNAL_ID 1126 D058633 - Antipyretics Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Methyl 2-aminobenzoate
Methyl 2-aminobenzoate is found in alcoholic beverages. Methyl 2-aminobenzoate is found in essential oils, including bergamot, orange peel, lemon peel, jasmine, ylang-ylang and neroli. Also present in concord grape, strawberry, star fruit, wines, cocoa, black tea and rice bran. Methyl 2-aminobenzoate is a flavouring agent Found in essential oils, including bergamot, orange peel, lemon peel, jasmine, ylang-ylang and neroliand is also present in concord grape, strawberry, star fruit, wines, cocoa, black tea and rice bran. Flavouring agent.
2-(Methylamino)benzoic acid
2-(Methylamino)benzoic acid is found in citrus. 2-(Methylamino)benzoic acid is isolated from grapefruit peel oi KEIO_ID M127 2-(Methylamino)benzoic acid is the main metabolite of methyl-N-methylanthranilates (MMA) (HY-76705) and is the compound in which the ester group is converted. MMA can be isolated from citrus fruits and has potential analgesic activity. 2-(Methylamino)benzoic acid was used to detect the metabolic levels of MMA in rat liver[1].
(R)-Mandelamide
D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids
2-Amino-3-methylbenzoate
2-Amino-3-methylbenzoate is a metabolite of lidocaine. Lidocaine, Xylocaine, or lignocaine is a common local anesthetic and antiarrhythmic drug. Lidocaine is used topically to relieve itching, burning and pain from skin inflammations, injected as a dental anesthetic or as a local anesthetic for minor surgery. (Wikipedia)
Dopamine quinone
Dopamine-quinone is synthesized by oxidation of the catechol ring of dopamine. If this occurs within the neuronal cytosol, the quinone may react with cytosolic components, particularly with cysteine residues. (PMID: 12835101). Dopamine quinone is produce by the reaction between dopamine and oxygen, with water as the byproduct. The reaction is catalyzed by the tyrosinase precursor. Dopamine-quinone is synthesized by oxidation of the catechol ring of dopamine. If this occurs within the neuronal cytosol, the quinone may react with cytosolic components, particularly with cysteine residues. (PMID: 12835101)
Leukoaminochrome
Leukoaminochrome is formed by cyclization of dopamine o-quinone to dopaminochrome. Oxidation of leukoaminochrome to dopaminochrome and polymerization of dopaminochrome to neuromelanin . The DA oxidation can occur spontaneously, is accelerated by transition metal ions (Mn2+ or Fe2+), or can be catalyzed by a number of different enzymes [HMDB] Leukoaminochrome is formed by cyclization of dopamine o-quinone to dopaminochrome. Oxidation of leukoaminochrome to dopaminochrome and polymerization of dopaminochrome to neuromelanin. The DA oxidation can occur spontaneously, is accelerated by transition metal ions (Mn2+ or Fe2+), or can be catalyzed by a number of different enzymes.
(Z)-[(4-hydroxyphenyl)acetaldehyde oxime]
(z)-[(4-hydroxyphenyl)acetaldehyde oxime] is a member of the class of compounds known as 1-hydroxy-2-unsubstituted benzenoids. 1-hydroxy-2-unsubstituted benzenoids are phenols that a unsubstituted at the 2-position (z)-[(4-hydroxyphenyl)acetaldehyde oxime] is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). (z)-[(4-hydroxyphenyl)acetaldehyde oxime] can be found in a number of food items such as sugar apple, chestnut, mandarin orange (clementine, tangerine), and gooseberry, which makes (z)-[(4-hydroxyphenyl)acetaldehyde oxime] a potential biomarker for the consumption of these food products.
2'-Hydroxyacetanilide
2-Hydroxyacetanilide, also known as N-(2-hydroxyphenyl)acetamide (HPAA), belongs to the class of organic compounds known as aminophenols. These are organic compounds containing an amino group attached to a phenol. HPAA is a benzoxazinoid metabolite. It is a potential urinary biomarker of whole grain intake (PMID: 27805021).
Ethyl nicotinate
Ethyl nicotinate, also known as nicotine acid ethyl ester or mucotherm, is a member of the class of compounds known as pyridinecarboxylic acids. Pyridinecarboxylic acids are compounds containing a pyridine ring bearing a carboxylic acid group. Ethyl nicotinate is soluble (in water) and a strong basic compound (based on its pKa). Ethyl nicotinate can be found in sweet orange, which makes ethyl nicotinate a potential biomarker for the consumption of this food product. Ethyl nicotinate exists in all eukaryotes, ranging from yeast to humans. Ethyl nicotinate, also known as mucotherm, belongs to the class of organic compounds known as pyridinecarboxylic acids. Pyridinecarboxylic acids are compounds containing a pyridine ring bearing a carboxylic acid group. ethyl nicotinate has been detected, but not quantified, in sweet oranges. This could make ethyl nicotinate a potential biomarker for the consumption of these foods.
3alpha,4,7,7alpha-Tetrahydro-1H-isoindole-1,3(2H)-dione
Potential food contaminant arising from the metabolism of Captan
Metacetamol
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics
3-Methoxybenzamide
D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors
4-(Aminomethyl)benzoic acid
B - Blood and blood forming organs > B02 - Antihemorrhagics > B02A - Antifibrinolytics > B02AA - Amino acids D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics D050299 - Fibrin Modulating Agents > D000933 - Antifibrinolytic Agents D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors
Paracetamol
N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BE - Anilides C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; EAWAG_UCHEM_ID 243 D058633 - Antipyretics Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(Z)-[(4-hydroxyphenyl)acetaldehyde oxime]
(z)-[(4-hydroxyphenyl)acetaldehyde oxime] is a member of the class of compounds known as 1-hydroxy-2-unsubstituted benzenoids. 1-hydroxy-2-unsubstituted benzenoids are phenols that a unsubstituted at the 2-position (z)-[(4-hydroxyphenyl)acetaldehyde oxime] is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). (z)-[(4-hydroxyphenyl)acetaldehyde oxime] can be found in a number of food items such as sugar apple, chestnut, mandarin orange (clementine, tangerine), and gooseberry, which makes (z)-[(4-hydroxyphenyl)acetaldehyde oxime] a potential biomarker for the consumption of these food products.
2-Aminophenylaceticacid
A member of the class of phenylacetic acids that is phenylacetic acid which carries an amino group at position 2 of the phenyl ring. A fungal metabolite produced by Colletotrichum gloeosporioides.
Streptokordin
A pyridone that is pyridin-2(1H)-one substituted by an acetyl group at position 4 and a methyl group at position 6. It is isolated from the fermentation broth of Streptomyces sp. KORDI-3238 and exhibits moderate cytotoxicity against a number of human cancer cell lines.
3-Methoxybenzamide
D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors
Acetaminophen
N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BE - Anilides C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D058633 - Antipyretics Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 820; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2697; ORIGINAL_PRECURSOR_SCAN_NO 2695 CONFIDENCE standard compound; INTERNAL_ID 820; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2693; ORIGINAL_PRECURSOR_SCAN_NO 2690 CONFIDENCE standard compound; INTERNAL_ID 820; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2673; ORIGINAL_PRECURSOR_SCAN_NO 2671 CONFIDENCE standard compound; INTERNAL_ID 820; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2686; ORIGINAL_PRECURSOR_SCAN_NO 2684 CONFIDENCE standard compound; INTERNAL_ID 820; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2692; ORIGINAL_PRECURSOR_SCAN_NO 2689 CONFIDENCE standard compound; INTERNAL_ID 820; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4204; ORIGINAL_PRECURSOR_SCAN_NO 4203 CONFIDENCE standard compound; INTERNAL_ID 820; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4211; ORIGINAL_PRECURSOR_SCAN_NO 4209 CONFIDENCE standard compound; INTERNAL_ID 820; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4223; ORIGINAL_PRECURSOR_SCAN_NO 4221 CONFIDENCE standard compound; INTERNAL_ID 820; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4232; ORIGINAL_PRECURSOR_SCAN_NO 4231 CONFIDENCE standard compound; INTERNAL_ID 820; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4241; ORIGINAL_PRECURSOR_SCAN_NO 4238 CONFIDENCE standard compound; INTERNAL_ID 820; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4234; ORIGINAL_PRECURSOR_SCAN_NO 4232 CONFIDENCE standard compound; INTERNAL_ID 2767 MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; RZVAJINKPMORJF-UHFFFAOYSA-N_STSL_0199_Acetaminophen_0125fmol_180831_S2_L02M02_53; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. CONFIDENCE standard compound; INTERNAL_ID 8667 CONFIDENCE standard compound; INTERNAL_ID 8050 CONFIDENCE standard compound; INTERNAL_ID 4091 INTERNAL_ID 4091; CONFIDENCE standard compound
N-Methylanthranilic acid
An aromatic amino acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is substituted by a methyl group. 2-(Methylamino)benzoic acid is the main metabolite of methyl-N-methylanthranilates (MMA) (HY-76705) and is the compound in which the ester group is converted. MMA can be isolated from citrus fruits and has potential analgesic activity. 2-(Methylamino)benzoic acid was used to detect the metabolic levels of MMA in rat liver[1].
acetoaminophenol
CONFIDENCE standard compound; INTERNAL_ID 695; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2697; ORIGINAL_PRECURSOR_SCAN_NO 2695 CONFIDENCE standard compound; INTERNAL_ID 695; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2693; ORIGINAL_PRECURSOR_SCAN_NO 2690 CONFIDENCE standard compound; INTERNAL_ID 695; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2673; ORIGINAL_PRECURSOR_SCAN_NO 2671 CONFIDENCE standard compound; INTERNAL_ID 695; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2686; ORIGINAL_PRECURSOR_SCAN_NO 2684 CONFIDENCE standard compound; INTERNAL_ID 695; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2692; ORIGINAL_PRECURSOR_SCAN_NO 2689 CONFIDENCE standard compound; INTERNAL_ID 695; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4204; ORIGINAL_PRECURSOR_SCAN_NO 4203 CONFIDENCE standard compound; INTERNAL_ID 695; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4211; ORIGINAL_PRECURSOR_SCAN_NO 4209 CONFIDENCE standard compound; INTERNAL_ID 695; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4223; ORIGINAL_PRECURSOR_SCAN_NO 4221 CONFIDENCE standard compound; INTERNAL_ID 695; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4232; ORIGINAL_PRECURSOR_SCAN_NO 4231 CONFIDENCE standard compound; INTERNAL_ID 695; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4241; ORIGINAL_PRECURSOR_SCAN_NO 4238 CONFIDENCE standard compound; INTERNAL_ID 695; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4220; ORIGINAL_PRECURSOR_SCAN_NO 4218 DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4220; CONFIDENCE standard compound; INTERNAL_ID 695; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; ORIGINAL_PRECURSOR_SCAN_NO 4218
cis-1,2,3,6-Tetrahydrophthalimide
CONFIDENCE standard compound; INTERNAL_ID 1053; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2697; ORIGINAL_PRECURSOR_SCAN_NO 2695 CONFIDENCE standard compound; INTERNAL_ID 1053; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2693; ORIGINAL_PRECURSOR_SCAN_NO 2690 CONFIDENCE standard compound; INTERNAL_ID 1053; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2673; ORIGINAL_PRECURSOR_SCAN_NO 2671 CONFIDENCE standard compound; INTERNAL_ID 1053; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2686; ORIGINAL_PRECURSOR_SCAN_NO 2684 CONFIDENCE standard compound; INTERNAL_ID 1053; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2692; ORIGINAL_PRECURSOR_SCAN_NO 2689 CONFIDENCE standard compound; INTERNAL_ID 1053; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4204; ORIGINAL_PRECURSOR_SCAN_NO 4203 CONFIDENCE standard compound; INTERNAL_ID 1053; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4211; ORIGINAL_PRECURSOR_SCAN_NO 4209 CONFIDENCE standard compound; INTERNAL_ID 1053; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4223; ORIGINAL_PRECURSOR_SCAN_NO 4221 CONFIDENCE standard compound; INTERNAL_ID 1053; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4232; ORIGINAL_PRECURSOR_SCAN_NO 4231 CONFIDENCE standard compound; INTERNAL_ID 1053; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4241; ORIGINAL_PRECURSOR_SCAN_NO 4238 CONFIDENCE standard compound; INTERNAL_ID 1053; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4234; ORIGINAL_PRECURSOR_SCAN_NO 4232
2-Ethylisonicotinic acid
A pyridinemonocarboxylic acid that is isonicotinic acid with an ethyl substituent at position 2 on the ring.
3-Pyridinecarboxaldehyde, 2-methoxy-6-methyl- (9CI)
4,5,5-Trimethyl-2-oxo-2,5-dihydro-3-furancarbonitrile
(6R,7S)-2-ACETYL-2-AZA-BICYCLO[2.2.1]HEPT-5-EN-3-ONE
1,5,6,7-Tetrahydro-4-hydroxy-2H-cyclopenta[b]pyridin-2-one
Pyrrole-2,4-dicarboxaldehyde, 3,5-dimethyl- (6CI,7CI,8CI)
2-Pyridinecarboxaldehydecyclic 1,2-ethanediyl acetal ;;
3-Pyridinecarboxaldehyde, 6-methoxy-5-methyl- (9CI)
1-Cyclopentene-1-carboxylicacid,5-cyano-,methylester(9CI)
Paracetamol
A member of the class of phenols that is 4-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group.
4-(Aminomethyl)benzoic acid
B - Blood and blood forming organs > B02 - Antihemorrhagics > B02A - Antifibrinolytics > B02AA - Amino acids D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics D050299 - Fibrin Modulating Agents > D000933 - Antifibrinolytic Agents D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors
Rystal
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics
AI3-05924
2-(Methylamino)benzoic acid is the main metabolite of methyl-N-methylanthranilates (MMA) (HY-76705) and is the compound in which the ester group is converted. MMA can be isolated from citrus fruits and has potential analgesic activity. 2-(Methylamino)benzoic acid was used to detect the metabolic levels of MMA in rat liver[1].
METHYL ANTHRANILATE
A benzoate ester that is the methyl ester of anthranilic acid.
Dopaminoquinone
A member of the class of 1,2-benzoquinones that is 1,2-benzoquinone in which a hydrogen at para to one of the oxo groups has been replaced by a 2-aminoethyl group.
Metacetamol
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics
(+/-)-Mandelamide
D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids
D-alpha-phenylglycine zwitterion
A D-alpha-amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of D-alpha-phenylglycine; major species at pH 7.3.
2-Acetamidophenol
A member of the class of phenols that is 2-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group. A positional isomer of paracetamol which possesses anti-inflammatory, anti-arthritic and anti-platelet aggregation properties.
alpha-phenylglycine
An amino acid with a structure in which a phenyl ring is bonded to the alpha-carbon of glycine.
Leukoaminochrome
A member of the class of indoles that is indoline with hydroxy substituents at positions 5 and 6.
L-alpha-phenylglycine zwitterion
An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-alpha-phenylglycine; major species at pH 7.3.
4-methoxy-benzaldehyde oxime
{"Ingredient_id": "HBIN010630","Ingredient_name": "4-methoxy-benzaldehyde oxime","Alias": "NA","Ingredient_formula": "C8H9NO2","Ingredient_Smile": "COC1=CC=C(C=C1)C=NO","Ingredient_weight": "151.16 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7806","PubChem_id": "5371961","DrugBank_id": "NA"}