Exact Mass: 206.075
Exact Mass Matches: 206.075
Found 500 metabolites which its exact mass value is equals to given mass value 206.075,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Scoparone
Scoparone is a member of the class of coumarins that is esculetin in which the two hydroxy groups at positions 6 and 7 are replaced by methoxy groups. It is a major constituent of the Chinese herbal medicine Yin Chen Hao, and exhibits a variety of pharmacological activities such as anti-inflammatory, anti-allergic, and anti-tumor activities. It has a role as a plant metabolite, an anti-inflammatory agent, an antilipemic drug, an immunosuppressive agent, an antihypertensive agent and an anti-allergic agent. It is a member of coumarins and an aromatic ether. It is functionally related to an esculetin. Scoparone is a natural product found in Haplophyllum ramosissimum, Haplophyllum thesioides, and other organisms with data available. A member of the class of coumarins that is esculetin in which the two hydroxy groups at positions 6 and 7 are replaced by methoxy groups. It is a major constituent of the Chinese herbal medicine Yin Chen Hao, and exhibits a variety of pharmacological activities such as anti-inflammatory, anti-allergic, and anti-tumor activities. D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics Scoparone is found in anise. Scoparone is found in several citrus oil D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Found in several citrus oils Scoparone is isolated from Artemisia capillaris Thunb., has anticoagulant, vasorelaxant antioxidant, anti-inflammatory activities[1]. Scoparone is isolated from Artemisia capillaris Thunb., has anticoagulant, vasorelaxant antioxidant, anti-inflammatory activities[1].
Pyrequan
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CC - Tetrahydropyrimidine derivatives D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene
Eugenin
Constituent of Eugenia aromatica (clove). Eugenin is found in many foods, some of which are wild carrot, carrot, herbs and spices, and java plum. Eugenin is found in carrot. Eugenin is a constituent of Eugenia aromatica (clove). Eugenin is a chromone isolated from Peucedanum japonicum, with potent antiplatelet aggregation activity[1]. Eugenin is a chromone isolated from Peucedanum japonicum, with potent antiplatelet aggregation activity[1].
Citropten
5,7-dimethoxy-1-benzopyran-2-one is a member of coumarins. 5,7-Dimethoxycoumarin is a natural product found in Edgeworthia chrysantha, Melicope borbonica, and other organisms with data available. Citropten is found in citrus. Citropten is found in lime and bergamot oils. Found in lime and bergamot oils Citropten (5,7-Dimethoxycoumarin) is a coumarin isolated from bergamot oil. Citropten (5,7-Dimethoxycoumarin) has an antiproliferative activity against A2058 human melanoma cell line[1][2]. Citropten (5,7-Dimethoxycoumarin) is a coumarin isolated from bergamot oil. Citropten (5,7-Dimethoxycoumarin) has an antiproliferative activity against A2058 human melanoma cell line[1][2].
Vinyl caffeate
Vinyl caffeate is found in fats and oils. Vinyl caffeate is a constituent of Perilla frutescens var. crispa
Diethyl tartrate
Diethyl tartrate is found in alcoholic beverages. Diethyl tartrate is a flavouring ingredient. Diethyl tartrate is present in sherry, white wine and red wine. Diethyl tartrate is flavouring ingredient. It is found in alcoholic beverages such as sherry, white wine and red wine.
Isoeugenitol
Isoeugenitol is found in herbs and spices. Isoeugenitol is present in Eugenia caryophyllata (clove
3-Methoxy-4,5-methylenedioxycinnamaldehyde
3-Methoxy-4,5-methylenedioxycinnamaldehyde is found in herbs and spices. 3-Methoxy-4,5-methylenedioxycinnamaldehyde is a constituent of Piper auritum (Veracruz pepper). Constituent of Piper auritum (Veracruz pepper). 3-Methoxy-4,5-methylenedioxycinnamaldehyde is found in herbs and spices.
Threonylserine
Threonylserine is a dipeptide composed of threonine and serine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Glycyl-Methionine
Glycyl-Methionine is a dipeptide composed of glycine and methionine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Methionyl-Glycine
Methionyl-Glycine is a dipeptide composed of methionine and glycine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Serylthreonine
Serylthreonine is a dipeptide composed of serine and threonine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
2,4,6-Triethyl-1,3,5-oxadithiane
2,4,6-Triethyl-1,3,5-oxadithiane is a constituent of onion like flavouring produced by reaction of H2S with propanal. Constituent of onion like flavouring produced by reaction of H2S with propanal
Arginine chloromethyl ketone
D009676 - Noxae > D000477 - Alkylating Agents > D000590 - Amino Acid Chloromethyl Ketones
1-Methyl-2-(2-thiophen-2-ylethenyl)-5,6-dihydro-4H-pyrimidine
Aldicarb sulfoxide
Diphenylcyclopropenone
C308 - Immunotherapeutic Agent > C2139 - Immunostimulant
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxypropanoic acid
(2S,3R)-2-Amino-3-[(2S)-2-amino-3-hydroxypropanoyl]oxybutanoic acid
Daphnetin dimethyl ether
7,8-Dimethoxycoumarin is a natural product found in Ayapana triplinervis, Citrus medica, and other organisms with data available.
2-({[(Cyanoimino)(methylthio)methyl]amino}methyl)pyridine
LEPTORUMOL
A member of the class of chromones that is chromone substituted by hydroxy groups at positions 5 and 7 and methyl groups at positions 6 and 8 respectively. It has been isolated from Pisonia aculeata.
6-(2,4-Dihydroxyphenyl)-5,6-dihydro-2H-pyran-2-one
3,6-Anhydro-2-O-methyl-D-galactonsaeuremethylester
2H-1-Benzopyran-2-one, 8-hydroxy-4-methoxy-5-methyl-
8,9-Epoxide,Me ester-(Z,Z)-10-Hydroxy-2,8-decadiene-4,6-diynoic acid|methyl 2(Z)-10-hydroxy-8,9-epoxydecen-4,6-diynoate
o-Acetylbenzeneamidinocarboxylic acid|[(2-Acetylphenyl)amino]iminoacetic acid
Scoparone
Annotation level-1 D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Scoparone is isolated from Artemisia capillaris Thunb., has anticoagulant, vasorelaxant antioxidant, anti-inflammatory activities[1]. Scoparone is isolated from Artemisia capillaris Thunb., has anticoagulant, vasorelaxant antioxidant, anti-inflammatory activities[1].
7-hydroxy-3-(hydroxymethyl)-5-methylisochromen-1-one
UNII:5X736K018B
Diphenylcyclopropenone
C308 - Immunotherapeutic Agent > C2139 - Immunostimulant
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
pyrantel
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CC - Tetrahydropyrimidine derivatives D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; YSAUAVHXTIETRK-AATRIKPKSA-N_STSL_0148_Pyrantel_0031fmol_180418_S2_LC02_MS02_13; 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.
Citropten
Citropten (5,7-Dimethoxycoumarin) is a coumarin isolated from bergamot oil. Citropten (5,7-Dimethoxycoumarin) has an antiproliferative activity against A2058 human melanoma cell line[1][2]. Citropten (5,7-Dimethoxycoumarin) is a coumarin isolated from bergamot oil. Citropten (5,7-Dimethoxycoumarin) has an antiproliferative activity against A2058 human melanoma cell line[1][2].
5,7-Dimethoxycoumarin
CONFIDENCE standard compound; INTERNAL_ID 1077; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8327; ORIGINAL_PRECURSOR_SCAN_NO 8325 CONFIDENCE standard compound; INTERNAL_ID 1077; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8344; ORIGINAL_PRECURSOR_SCAN_NO 8342 CONFIDENCE standard compound; INTERNAL_ID 1077; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8375; ORIGINAL_PRECURSOR_SCAN_NO 8374 CONFIDENCE standard compound; INTERNAL_ID 1077; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8402; ORIGINAL_PRECURSOR_SCAN_NO 8400 CONFIDENCE standard compound; INTERNAL_ID 1077; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8420; ORIGINAL_PRECURSOR_SCAN_NO 8415 CONFIDENCE standard compound; INTERNAL_ID 1077; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8233; ORIGINAL_PRECURSOR_SCAN_NO 8230 Citropten (5,7-Dimethoxycoumarin) is a coumarin isolated from bergamot oil. Citropten (5,7-Dimethoxycoumarin) has an antiproliferative activity against A2058 human melanoma cell line[1][2]. Citropten (5,7-Dimethoxycoumarin) is a coumarin isolated from bergamot oil. Citropten (5,7-Dimethoxycoumarin) has an antiproliferative activity against A2058 human melanoma cell line[1][2].
2,3-dihydro-2-oxo-1H-Benzimidazole-1-propanoic acid
Gly-met
A dipeptide formed from glycine and L-methionine residues.
Met-gly
A dipeptide formed from L-methionine and glycine residues.
Eugenin
A member of the class of chromones that is chromone substituted by a hydroxy group at position 5, a methoxy group at position 7 and a methyl group at position 2. It has been isolated from Pisonia aculeata. Eugenin is a chromone isolated from Peucedanum japonicum, with potent antiplatelet aggregation activity[1]. Eugenin is a chromone isolated from Peucedanum japonicum, with potent antiplatelet aggregation activity[1].
Methyl 4-oxo-3,4-dihydro-2H-chroMene-8-carboxylate
Pyrido[3,2-e]-as-triazine-7-carboxylic acid, 1,2-dihydro-3-methyl-, methyl ester (8CI)
Pyrido[3,2-e]-as-triazine-6-carboxylic acid, 1,2-dihydro-3-methyl-, methyl ester (8CI)
Caroxazone
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
2-Amino-4,5,6,7,8,9-hexahydrocycloocta-[b]thiophene-3-carbonitrile
3-AMINO-4-CYCLOBUTYL-2-OXOBUTANAMIDE HYDROCHLORIDE
Isotiquimide
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent
4-METHYL-2-OXO-3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRIMIDINE-4-CARBOXYLIC ACID
Ethyl 7-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
8-NITRO-2,3,4,5-TETRAHYDRO-1H-BENZO[C]AZEPIN-1-ONE
5-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
5-Amino-furo[2,3-b]pyridine-2-carboxylic acid ethyl ester
Methyl 7-amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
2-(3-OXO-3,4-DIHYDROQUINOXALIN-1(2H)-YL)ACETIC ACID
(4-(3-METHOXY-3-OXOPROP-1-EN-1-YL)PHENYL)BORONIC ACID
(3-(3-METHOXY-3-OXOPROP-1-EN-1-YL)PHENYL)BORONIC ACID
(2-(3-METHOXY-3-OXOPROP-1-EN-1-YL)PHENYL)BORONIC ACID
(5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YLMETHYL)-HYDRAZINE
4-Piperidinecarbonitrile, 1-(trifluoroacetyl)- (9CI)
1-CARBAMOYL-2,3-DIHYDRO-1H-INDOLE-2-CARBOXYLIC ACID
(6-Hydroxybenzofuran-3-yl)acetic acid methyl ester
8-CHLORO-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]-INDOLE
Methyl 5-(1-Methyl-2-pyrrolyl)isoxazole-3-carboxylate
ETHYL 5-CYANO-1,6-DIHYDRO-2-METHYL-6-OXO-3-PYRIDINECARBOXYLATE
6-amino-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
ethyl 4-oxo-1H,4H-pyrrolo[1,2-b]pyridazine-3-carboxylate
2,3-DIHYDRO-6-METHOXY-3-OXO-1H-INDENE-1-CARBOXYLIC ACID
2-Isopropyl-4(((N-methyl)amino)methyl)thiazole hydrochloride
1,3-Dimethyl-2-Oxo-2,3-Dihydro-1H-Benzoimidazole-5-Carboxylic Acid
1-Isopropyl-1H-pyrido[2,3-d][1,3]oxazine-2,4-dione
Ethyl 7-aminopyrazolo[1,5-a]pyrimidine-6-carboxylate
Furo[3,2-b]pyridine-3-carboxylicacid,2-amino-,ethylester(9CI)
1H-Benzimidazole-5-carboxylicacid,2-hydrazino-1-methyl-(9CI)
4-Pyridinecarboxylicacid, 3-cyano-1,2-dihydro-6-methyl-2-oxo-, ethyl ester
(2,3-dihydro-1h-8-thia-5,7-diaza-cyclopenta[a]inden-4-yl)-hydrazine
5-(4-AMINO-PHENYL)-4-METHYL-4 H-[1,2,4]TRIAZOLE-3-THIOL
2-(3-METHYL-2-OXO-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOL-1-YL)ACETIC ACID
4-AMINO-5-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
METHYL 3-OXO-1,2,3,4-TETRAHYDROQUINOXALINE-6-CARBOXYLATE
4-Chloro-2-(1-methylcyclopropyl)-1H-pyrrolo[2,3-b]pyridine
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 6-Methoxy-, Methyl ester
4,6-O-Ethylidene-a-D-glucose
4,6-O-ethylidene-α-D-glucose (Ethylidene-glucose), a glucose derivative, is a competitive exofacial binding-site inhibitor on glucose transporter 1 (GLUT1) with a Ki of 12 mM for wild-type 2-deoxy-D-glucose transport[1][2][3]. 4,6-O-ethylidene-α-D-glucose (Ethylidene-glucose), a glucose derivative, is a competitive exofacial binding-site inhibitor on glucose transporter 1 (GLUT1) with a Ki of 12 mM for wild-type 2-deoxy-D-glucose transport[1][2][3].
Ethyl 5-hydroxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 4-Methoxy-, Methyl ester
4-(4-METHYL-5-(METHYLTHIO)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
3-(4-METHYL-5-(METHYLTHIO)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
Coumarin-8-ol, 7-methoxy-4-methyl-
7-Methoxy-4-methyl-coumarin-8-ol (compound 31) is a compound isolated from sour orange (Citrus aurantium)[1].
3-AMINO-FURO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER
Pyrrolo[1,2-b]pyridazine-3-carboxylic acid, 4-ethoxy- (9CI)
4,4-dimethyl-2,3-dihydrothiochromene-6-carbaldehyde
1-(BENZO[D][1,3]DIOXOL-5-YL)CYCLOPROPANECARBOXYLIC ACID
6-Chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
(S)-N-(1-Amino-1-oxobutan-2-yl)-4-chlorobutanamide
(4-Fluoro-3-methoxybenzyl)hydrazine hydrochloride (1:1)
4,5-dihydroxy-1,3-bis(methoxymethyl)imidazolidin-2-one
methyl 4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxylate
2-Benzothiazole ethanamine,alpha,alpha-dimethyl-(9CI)
2-Propanone,1-[1-(5-methyl-3-isoxazolyl)-1H-1,2,4-triazol-3-yl]-
1H-Imidazole,2,3-dihydro-1,3-dimethyl-2-[(1E)-2-(2-thienyl)ethenyl]-(9CI)
2-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
2-Aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester
2-(BUT-3-YN-1-YL)IMIDAZO[1,2-A]PYRIDINE HYDROCHLORIDE
2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-6-METHOXY-3-METHYL-
1H-1,3-Diazepine,2-ethoxy-4-(trifluoromethyl)-(9CI)
2-Benzothiazolamine,N-methyl-6-(1-methylethyl)-(9CI)
8-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine
Imidazole salicylate
N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BA - Salicylic acid and derivatives D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018501 - Antirheumatic Agents
2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetic acid
(2R)-3-(2-acetamidoethylsulfanyl)-2-aminopropanoic acid
Scoparon
D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Scoparone is isolated from Artemisia capillaris Thunb., has anticoagulant, vasorelaxant antioxidant, anti-inflammatory activities[1]. Scoparone is isolated from Artemisia capillaris Thunb., has anticoagulant, vasorelaxant antioxidant, anti-inflammatory activities[1].
Limetin
Citropten (5,7-Dimethoxycoumarin) is a coumarin isolated from bergamot oil. Citropten (5,7-Dimethoxycoumarin) has an antiproliferative activity against A2058 human melanoma cell line[1][2]. Citropten (5,7-Dimethoxycoumarin) is a coumarin isolated from bergamot oil. Citropten (5,7-Dimethoxycoumarin) has an antiproliferative activity against A2058 human melanoma cell line[1][2].
Diphencyprone
C308 - Immunotherapeutic Agent > C2139 - Immunostimulant
2-[(2-Amino-3-hydroxybutanoyl)amino]-3-hydroxypropanoic acid
(2S)-2-[(azaniumylacetyl)amino]-4-(methylsulfanyl)butanoate
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxypropanoic acid
(2S,3R)-2-Amino-3-[(2S)-2-amino-3-hydroxypropanoyl]oxybutanoic acid
3-{[(Pyridin-4-yl)methyl]carbamoyl}prop-2-enoic acid
3-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-5-methyl-4H-1,2,4-triazol-4-amine
N-acetyl-L-thialysine zwitterion
A S-alkyl-L-cysteine zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of N-acetyl-L-thialysine. Major microspecies at pH 7.3.
2-Butenoic acid, 2-hydroxy-4-oxo-4-phenyl-, methyl ester
7-Hydroxy-3-(hydroxymethyl)-5-methylisochromen-1-one
N-hydroxytrihomomethioninate
Conjugate base of N-hydroxytrihomomethionine.
8-Methyl-3-oxo-2-oxabicyclo(4.4.0)deca-4,9-diene-6,8-carbolactone
Gly-Met zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Gly-Met.
diethyl 2-sulfanylbutanedioate
A diester resulting from the formal condensation of the carboxy groups of thiomalic acid with ethanol. It is a metabolite of the insecticide malathion.
7-demethylsiderin
A member of the class of hydroxycoumarins that is coumarin which is substituted by methoxy, methyl, and hydroxy groups at positions 4, 5 and 7, respectively.
Thr-Ser zwitterion
A dipeptide zwitterion resulting from transfer of a proton from the carboxy to the amino group of L-threonyl-L-serine; major species at pH 7.3.
2-benzylsuccinate(2-)
A dicarboxylic acid dianion that is the conjugate base of 2-benzylsuccinic acid.
N-acetyl-D-phenylalaninate
An N-acyl-D-alpha-amino acid anion that is the conjugate base of N-acetyl-D-phenylalanine, arising from the deprotonation of the carboxy group; major species at pH 7.3.
N-acetyl-L-thialysine
An L-cysteine thioether resulting from the formal condensation of the carboxy group of acetic acid with the amino group of L-thialysine.
N-acetyl-L-phenylalaninate
The conjugate base of N-acetyl-L-phenylalanine; major species at pH 7.3.
6,8-dihydroxy-5-methyl-2,3-dihydronaphthalene-1,4-dione
3-(3-carbamimidoyl-4-hydroxyphenyl)prop-2-enoic acid
(4s)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboximidic acid
4-hydroxy-6-(4-hydroxyphenyl)-5,6-dihydropyran-2-one
(2s)-2-{[(2s,3r)-2-amino-1,3-dihydroxybutylidene]amino}-3-hydroxypropanoic acid
8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-carbaldehyde
7-methoxy-6-methyl-1-oxo-3h-2-benzofuran-4-carbaldehyde
(2z)-3-(7-methoxy-2h-1,3-benzodioxol-5-yl)prop-2-enal
3-(3,4-dihydroxyphenyl)-2-propenoic acid,9ci; (e)-form,vinyl ester
{"Ingredient_id": "HBIN007120","Ingredient_name": "3-(3,4-dihydroxyphenyl)-2-propenoic acid,9ci; (e)-form,vinyl ester","Alias": "NA","Ingredient_formula": "C11H10O4","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8492","PubChem_id": "NA","DrugBank_id": "NA"}
(5S)-5-(4-hydroxybenzyl)hydantoin
{"Ingredient_id": "HBIN011923","Ingredient_name": "(5S)-5-(4-hydroxybenzyl)hydantoin","Alias": "40856-79-9; NSC31204; (5S)-5-[(4-hydroxyphenyl)methyl]imidazolidine-2,4-dione","Ingredient_formula": "C10H10N2O3","Ingredient_Smile": "C1=CC(=CC=C1CC2C(=O)NC(=O)N2)O","Ingredient_weight": "206.2","OB_score": "81.82575101","CAS_id": "40856-79-9","SymMap_id": "SMIT13644","TCMID_id": "NA","TCMSP_id": "MOL012926","TCM_ID_id": "NA","PubChem_id": "233111","DrugBank_id": "NA"}
