Exact Mass: 198.07169919999998
Exact Mass Matches: 198.07169919999998
Found 308 metabolites which its exact mass value is equals to given mass value 198.07169919999998
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Mimosine
Mimosine is only found in individuals that have used or taken this drug. It is an antineoplastic alanine-substituted pyridine derivative isolated from Leucena glauca. [PubChem]Mimosine causes inhibition of DNA replication, changes in the progression of the cells in the cell cycle, and apoptosis. Mimosine appears to introduce breaks into DNA. Mimosine is an iron/zinc chelator. Iron depletion induces DNA double-strand breaks in treated cells, and activates a DNA damage response that results in focal phosphorylation of histones. This leads to inhibition of DNA replication and/or DNA elongation. Some studies indicate that mimosine prevents the initiation of DNA replication, whereas other studies indicate that mimosine disrupts elongation of the replication fork by impairing deoxyribonucleotide synthesis by inhibiting the activity of the iron-dependent enzyme ribonucleotide reductase and the transcription of the cytoplasmic serine hydroxymethyltransferase gene (SHMT). Inhibition of serine hydroxymethyltransferase is moderated by a zinc responsive unit located in front of the SHMT gene. L-mimosine is an L-alpha-amino acid that is propionic acid substituted by an amino group at position 2 and a 3-hydroxy-4-oxopyridin-1(4H)-yl group at position 3 (the 2S-stereoisomer). It a non-protein plant amino acid isolated from Mimosa pudica. It has a role as an EC 1.14.18.1 (tyrosinase) inhibitor and a plant metabolite. It is a non-proteinogenic L-alpha-amino acid and a member of 4-pyridones. It is functionally related to a propionic acid. It is a conjugate acid of a L-mimosine(1-). It is a tautomer of a L-mimosine zwitterion. Mimosine is an antineoplastic alanine-substituted pyridine derivative isolated from Leucena glauca. 3-Hydroxy-4-oxo-1(4H)-pyridinealanine. An antineoplastic alanine-substituted pyridine derivative isolated from Leucena glauca. An L-alpha-amino acid that is propionic acid substituted by an amino group at position 2 and a 3-hydroxy-4-oxopyridin-1(4H)-yl group at position 3 (the 2S-stereoisomer). It a non-protein plant amino acid isolated from Mimosa pudica. Mimosine, a tyrosine analog , can act as an antioxidant by its potent iron-binding activity[1]. Mimosine is a known chelator of Fe(III)[2]. Mimosine induces apoptosis through metal ion chelation, mitochondrial activation and ROS production in human leukemic cells[3]. Anti-cancer, antiinflammation. Mimosine, a tyrosine analog , can act as an antioxidant by its potent iron-binding activity[1]. Mimosine is a known chelator of Fe(III)[2]. Mimosine induces apoptosis through metal ion chelation, mitochondrial activation and ROS production in human leukemic cells[3]. Anti-cancer, antiinflammation.
Cymoxanil
CONFIDENCE standard compound; EAWAG_UCHEM_ID 112
N-NITROSODIPHENYLAMINE
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3355 D009676 - Noxae > D002273 - Carcinogens
3,4-Dihydroxyfluorene
A member of the class of hydroxyfluorenes that is 9H-fluorene substituted by hydroxy groups at positions 3 and 4.
1,2-Dihydroxyfluorene
A member of the class of hydroxyfluorenes that is 9H-fluorene substituted by hydroxy groups at positions 1 and 2.
Dehydrosafynol
Dehydrosafynol, also known as (2r,11e)-11-tridecene-3,5,7,9-tetrayne-1,2-diol, is a member of the class of compounds known as long-chain fatty alcohols. Long-chain fatty alcohols are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Thus, dehydrosafynol is considered to be a fatty alcohol lipid molecule. Dehydrosafynol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Dehydrosafynol can be found in safflower, which makes dehydrosafynol a potential biomarker for the consumption of this food product.
5-Acetylamino-6-amino-3-methyluracil
5-Acetylamino-6-amino-3-methyluracil (AAMU) is one of caffeine major metabolites. Analysis of caffeine and its metabolites is of interest with respect to caffeine exposure, for kinetic and metabolism studies and for opportunistic in vivo estimation of drug metabolizing enzyme activity in humans and animals. Urinary caffeine metabolite ratios are used in humans to assess the activity of cytochrome P450 1A2 (CYP1A2), xanthine oxidase and N-acetyltransferase 2 (NAT2), which are involved in the activation or detoxification of various xenobiotic compounds, including carcinogens. Investigating the activity of these enzymes is of clinical relevance for assessing intra- and inter-individual differences in NAT2- and CYP1A2-mediated drug metabolism, and for evaluating the risk of developing specific exposure-related diseases. (PMID: 3506820, 15685651, 12534641) [HMDB] 5-Acetylamino-6-amino-3-methyluracil (AAMU) is one of caffeine major metabolites. Analysis of caffeine and its metabolites is of interest with respect to caffeine exposure, for kinetic and metabolism studies and for opportunistic in vivo estimation of drug metabolizing enzyme activity in humans and animals. Urinary caffeine metabolite ratios are used in humans to assess the activity of cytochrome P450 1A2 (CYP1A2), xanthine oxidase and N-acetyltransferase 2 (NAT2), which are involved in the activation or detoxification of various xenobiotic compounds, including carcinogens. Investigating the activity of these enzymes is of clinical relevance for assessing intra- and inter-individual differences in NAT2- and CYP1A2-mediated drug metabolism, and for evaluating the risk of developing specific exposure-related diseases. (PMID: 3506820, 15685651, 12534641).
4-NITROSODIPHENYLAMINE
CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8669; ORIGINAL_PRECURSOR_SCAN_NO 8668 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8682; ORIGINAL_PRECURSOR_SCAN_NO 8680 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8681; ORIGINAL_PRECURSOR_SCAN_NO 8679 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8654; ORIGINAL_PRECURSOR_SCAN_NO 8652 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8608; ORIGINAL_PRECURSOR_SCAN_NO 8606 ORIGINAL_PRECURSOR_SCAN_NO 8679; CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8681 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4050; ORIGINAL_PRECURSOR_SCAN_NO 4049 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4085; ORIGINAL_PRECURSOR_SCAN_NO 4082 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4085; ORIGINAL_PRECURSOR_SCAN_NO 4080 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4053; ORIGINAL_PRECURSOR_SCAN_NO 4051 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4044; ORIGINAL_PRECURSOR_SCAN_NO 4042 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4052; ORIGINAL_PRECURSOR_SCAN_NO 4049 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8689; ORIGINAL_PRECURSOR_SCAN_NO 8687
Harmol
Alkaloid from Elaeagnus angustifolia (Russian olive) and Passiflora incarnata (maypops). Harmol is found in sea-buckthornberry, herbs and spices, and fruits. Harmol is found in fruits. Harmol is an alkaloid from Elaeagnus angustifolia (Russian olive) and Passiflora incarnata (maypops). Harmol categorized as a β-carboline alkaloid. Harmol is a potent MAO inhibitor used as an analytical reference standard[1]. Harmol categorized as a β-carboline alkaloid. Harmol is a potent MAO inhibitor used as an analytical reference standard[1].
Harmanine
Xi-3-heptanol, also known as 3-hydroxyheptane or butyl ethyl carbinol, is a member of the class of compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R) (R,R=alkyl, aryl). Thus, xi-3-heptanol is considered to be a fatty alcohol lipid molecule. Xi-3-heptanol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Xi-3-heptanol can be found in fruits and herbs and spices, which makes xi-3-heptanol a potential biomarker for the consumption of these food products. Xi-3-heptanol can be found primarily in feces. Harmanine is found in alcoholic beverages. Harmanine is detected in wines.
4-[(2-Furanylmethyl)thio]-2-pentanone
4-[(2-Furanylmethyl)thio]-2-pentanone is found in coffee and coffee products. 4-[(2-Furanylmethyl)thio]-2-pentanone is a odorous substance used in coffee compositions. 4-[(2-Furanylmethyl)thio]-2-pentanone is a food flavouring agent Odorous substance used in coffee compositions. Food flavouring agent. 4-[(2-Furanylmethyl)thio]-2-pentanone is found in coffee and coffee products.
3-(2-Furanyl)-2-phenyl-2-propenal
3-(2-Furanyl)-2-phenyl-2-propenal is a flavourant for tobacco and food product Flavourant for tobacco and food products
6-amino-5[N-methylformylamino]-1-methyluracil
6-amino-5[N-methylformylamino]-1-methyluracil belongs to the family of Pyrimidones. These are compounds whose pyrimidine ring bears a ketone.
2-Chloro-6-(1-piperazinyl)pyrazine
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists
Harmol
Harmol is a 9H-beta-carboline carrying a methyl substituent at C-1 and a hydroxy group at C-7; major microspecies at pH 7.3. It has a role as an antifungal agent, an apoptosis inducer and an autophagy inducer. It is a harmala alkaloid and an indole alkaloid. It is functionally related to a beta-carboline. Harmol is a natural product found in Fontinalis squamosa, Passiflora foetida, and other organisms with data available. Annotation level-1 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.454 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.443 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.442 Harmol categorized as a β-carboline alkaloid. Harmol is a potent MAO inhibitor used as an analytical reference standard[1]. Harmol categorized as a β-carboline alkaloid. Harmol is a potent MAO inhibitor used as an analytical reference standard[1].
Terbuthylazine-TP CSCD692760 (LM3)
CONFIDENCE standard compound; UCHEM_ID 4177
trans-3-(5-Delta2,4-Hexadiinyl-furyl-(2))-acrolein|trans-3-<5-Delta2,4-Hexadiinyl-furyl-(2)>-acrolein
(-)-Trideca-3t,5c,7,8-tetraen-10,12-diinsaeure|(-)-trideca-3t,5c,7,8-tetraene-10,12-diynoic acid|3,5,7,8-Tridecatetraene-10,12-diynoic acid
(E)-3,6-Dihydro-6-(2,4,6-octatriynylidene)-2H-pyran-3-ol
PHENYL BENZOATE
CONFIDENCE standard compound; INTERNAL_ID 744; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3972; ORIGINAL_PRECURSOR_SCAN_NO 3968 CONFIDENCE standard compound; INTERNAL_ID 744; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3965; ORIGINAL_PRECURSOR_SCAN_NO 3963 CONFIDENCE standard compound; INTERNAL_ID 744; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3968; ORIGINAL_PRECURSOR_SCAN_NO 3966 CONFIDENCE standard compound; INTERNAL_ID 744; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3961; ORIGINAL_PRECURSOR_SCAN_NO 3958 CONFIDENCE standard compound; INTERNAL_ID 744; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3979; ORIGINAL_PRECURSOR_SCAN_NO 3975 CONFIDENCE standard compound; INTERNAL_ID 744; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3991; ORIGINAL_PRECURSOR_SCAN_NO 3989
7-hexa-2,4-diynylidene-1,6-dioxa-spiro[4.4]nona-2,8-diene
2-Hydroxybenzophenone
CONFIDENCE standard compound; INTERNAL_ID 1134; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4232; ORIGINAL_PRECURSOR_SCAN_NO 4229 CONFIDENCE standard compound; INTERNAL_ID 1134; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3841; ORIGINAL_PRECURSOR_SCAN_NO 3839 CONFIDENCE standard compound; INTERNAL_ID 1134; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3863; ORIGINAL_PRECURSOR_SCAN_NO 3861 CONFIDENCE standard compound; INTERNAL_ID 1134; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3888; ORIGINAL_PRECURSOR_SCAN_NO 3885 CONFIDENCE standard compound; INTERNAL_ID 1134; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4322; ORIGINAL_PRECURSOR_SCAN_NO 4320 CONFIDENCE standard compound; INTERNAL_ID 1134; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4238; ORIGINAL_PRECURSOR_SCAN_NO 4236
surugapyrrole B
A pyrrolecarboxamide obtained by the formal condensation of 1-hydroxy-1H-pyrrole-2-carboxylic acid with the amino group of 3-aminopropanoic acid. It is isolated from the culture broth of Streptomyces sp.USF-6280 and exhibits DPPH radical scavenging activity.
(S)-(-)-3-(2-carboxy-4-pyrrolyl)-alanine|(S)-4-(2-Amino-2-carboxyethyl)-1H-pyrrole-2-carboxylic acid|L-3-(2-carboxy-4-pyrrolyl)-alanine
Mimosine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.056 Mimosine, a tyrosine analog , can act as an antioxidant by its potent iron-binding activity[1]. Mimosine is a known chelator of Fe(III)[2]. Mimosine induces apoptosis through metal ion chelation, mitochondrial activation and ROS production in human leukemic cells[3]. Anti-cancer, antiinflammation. Mimosine, a tyrosine analog , can act as an antioxidant by its potent iron-binding activity[1]. Mimosine is a known chelator of Fe(III)[2]. Mimosine induces apoptosis through metal ion chelation, mitochondrial activation and ROS production in human leukemic cells[3]. Anti-cancer, antiinflammation.
5-Acetylamino-6-amino-3-methyluracil; LC-tDDA; CE10
5-Acetylamino-6-amino-3-methyluracil; LC-tDDA; CE20
5-Acetylamino-6-amino-3-methyluracil; LC-tDDA; CE30
5-Acetylamino-6-amino-3-methyluracil; LC-tDDA; CE40
6-Amino-5-formamido-1,3-dimethyluracil; LC-tDDA; CE10
6-Amino-5-formamido-1,3-dimethyluracil; LC-tDDA; CE20
6-Amino-5-formamido-1,3-dimethyluracil; LC-tDDA; CE30
6-Amino-5-formamido-1,3-dimethyluracil; LC-tDDA; CE40
5-Acetylamino-6-amino-3-methyluracil; AIF; CE0; CorrDec
5-Acetylamino-6-amino-3-methyluracil; AIF; CE10; CorrDec
5-Acetylamino-6-amino-3-methyluracil; AIF; CE30; CorrDec
5-Acetylamino-6-amino-3-methyluracil; AIF; CE0; MS2Dec
5-Acetylamino-6-amino-3-methyluracil; AIF; CE10; MS2Dec
5-Acetylamino-6-amino-3-methyluracil; AIF; CE30; MS2Dec
5-Acetylamino-6-amino-3-methyluracil [M+Na]+; AIF; CE0; MS2Dec
5-Acetylamino-6-amino-3-methyluracil [M+Na]+; AIF; CE10; MS2Dec
5-Acetylamino-6-amino-3-methyluracil [M+Na]+; AIF; CE30; MS2Dec
6-Amino-5-formamido-1,3-dimethyluracil; AIF; CE0; CorrDec
6-Amino-5-formamido-1,3-dimethyluracil; AIF; CE10; CorrDec
6-Amino-5-formamido-1,3-dimethyluracil; AIF; CE30; CorrDec
6-Amino-5-formamido-1,3-dimethyluracil; AIF; CE0; MS2Dec
6-Amino-5-formamido-1,3-dimethyluracil; AIF; CE10; MS2Dec
6-Amino-5-formamido-1,3-dimethyluracil; AIF; CE30; MS2Dec
Mycomycin
A straight-chain polyunsaturated fatty acid comprising tridecanoic acid having (E)- and (Z)-double bonds at positions 3 and 5 respectively, an allenic system at positions 7-9 and triple bonds at positions 10 and 12.
3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile
1-ETHYL-6-IMINODIHYDROPYRIMIDINE-2,4,5(3H)-TRIONE 5-(O-METHYLOXIME)
1H-Imidazole-1-carboxylicacid,5-amino-4-(aminocarbonyl)-,ethylester(9CI)
1H-Imidazole-4,5-dicarboxylicacid,4-ethyl5-methylester(9CI)
N-(6-CHLOROPYRIDAZIN-3-YL)-N,N-DIMETHYLETHANIMIDAMIDE
5-hydroxy-4-oxo-2-propan-2-yl-1H-pyrimidine-6-carboxylic acid
Ethyl 3-Ethoxy-2,2-difluoro-3-hydroxypropionate
C7H12F2O4 (198.07036159999998)
Benzenemethanol, a-butyl-2-chloro-
C11H15ClO (198.08113699999998)
METHYL 1,3-DIMETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
methyl 4-(1-hydroxyiminoethyl)-5-methylisoxazole-3-carboxylate
Methyl 3-(2-amino-5-fluoropyridin-3-yl)propanoate
C9H11FN2O2 (198.08045180000002)
1-(2-Chloroethyl)-4-methylpiperazine hydrochloride
3-(3-Fluoro-4-methoxyphenyl)propanoic acid
C10H11FO3 (198.06921880000002)
N,N-dimethylpent-2-yne-1,5-diamine,dihydrochloride
5-METHYL-1H-HEXAHYDROPYRROLO[3,4-B]PYRROLE DIHYDROCHLORIDE
PROPANOIC ACID, 2-(3-FLUOROPHENOXY)-2-METHYL-
C10H11FO3 (198.06921880000002)
1-Methyl-4-nitro-1H-pyrrole-2-carboxylic acid ethyl ester
6-Amino-5-formamido-1,3-dimethyluracil
5-Hydroxylysine hydrochloride (1:1)
DL-5-Hydroxylysine hydrochloride is an endogenous metabolite.
METHYL (R)-3-(4-FLUOROPHENYL)-2-HYDROXYPROPIONATE
C10H11FO3 (198.06921880000002)
3-methyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride
8-methyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride
4-(2-Hydroxyethyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran
N-[(4-Fluorophenyl)methyl]carbamimidothioic acid methyl ester
2-(2-FLUORO-PHENOXYMETHYL)-[1,3]DIOXOLANE
C10H11FO3 (198.06921880000002)
(4-AMINOPHENYL)(1-METHYL-1H-IMIDAZOL-2-YL)METHANONE
3-(6-METHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)PROPANOIC ACID
2-(3-FLUORO-PHENOXYMETHYL)-[1,3]DIOXOLANE
C10H11FO3 (198.06921880000002)
Benzene,1-(4-chlorobutoxy)-4-methyl-
C11H15ClO (198.08113699999998)
5-Fluoro-2-methoxybenzenepropanoic acid
C10H11FO3 (198.06921880000002)
2-(4-FLUOROPHENOXY)PROPANOHYDRAZIDE
C9H11FN2O2 (198.08045180000002)
2-Propen-1-one,1-(1H-imidazol-1-yl)-3-phenyl-, (2E)-
Tricyclo[4.4.0.03,8]decane-1-carbonyl chloride (9CI)
C11H15ClO (198.08113699999998)
(1S,4S,6S,9S)-4-Methyltricyclo[4.3.0.01,4]nonane-9-carbonyl chloride
C11H15ClO (198.08113699999998)
(1R,4S,6S,9R)-4-Methyltricyclo[4.3.0.01,4]nonane-9-carbonyl chloride
C11H15ClO (198.08113699999998)
2-(4-FLUORO-PHENOXYMETHYL)-[1,3]DIOXOLANE
C10H11FO3 (198.06921880000002)
3-(2-Fluoro-4-methoxyphenyl)propanoic acid
C10H11FO3 (198.06921880000002)
2-FLUORO-4-METHOXYBENZOIC ACID ETHYL ESTER
C10H11FO3 (198.06921880000002)
1H-Pyrazole-3,5-dicarboxylicacid,1-methyl-,5-ethylester(9CI)
5,6-Difluoro-2-Hydrazino-1-Methyl-1H-Benzimidazole
2-(chloromethyl)-5-methoxy-1,3,4-trimethylbenzene
C11H15ClO (198.08113699999998)
4-Pyrimidinecarboxylic acid, 2,6-dimethoxy-, methyl ester
(3aS,6aS)-1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole,dihydrochloride
1H-1,2,4-Triazole-3-carboxylicacid,5-[(1-oxopropyl)amino]-,methylester(9CI)
2-(chloromethyl)-1-methoxy-4-propan-2-ylbenzene
C11H15ClO (198.08113699999998)
2-FLUORO-4-N-PROPYLOXYBENZOIC ACID
C10H11FO3 (198.06921880000002)
ETHYL 2-(2,3-DIOXO-3,4-DIHYDROPYRAZIN-1(2H)-YL)ACETATE
PROPANOIC ACID, 2-(4-FLUOROPHENOXY)-2-METHYL-
C10H11FO3 (198.06921880000002)
2-Amino-3-(3-hydroxy-4-oxopyridin-1-yl)propanoic acid
4-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid
Theophylline monohydrate
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
(2S)-2-azaniumyl-3-(3-hydroxy-4-oxopyridin-1(4H)-yl)propanoate
ammonium (2S)-2-amino-4-(methylphosphinato)butyric acid
C5H15N2O4P (198.07693999999998)
1-[(S)-1-Carboxyethyl]-2-(hydroxymethyl)-5-hydroxypyridinium
C9H12NO4+ (198.07662919999999)
3-Trimethylsilyloxy-2-methylpyran-4-one
C9H14O3Si (198.07121740000002)
Furan-2-carboxylic acid, 3-methyl-, trimethylsilyl ester
C9H14O3Si (198.07121740000002)
2-Chloro-6-(1-piperazinyl)pyrazine
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists
L-mimosine zwitterion
An amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of L-mimosine; major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
(5r,7z)-7-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]nona-2,8-diene
7-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]nona-2,8-diene
{"Ingredient_id": "HBIN012885","Ingredient_name": "7-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]nona-2,8-diene","Alias": "NA","Ingredient_formula": "C13H10O2","Ingredient_Smile": "CC#CC#CC=C1C=CC2(O1)CC=CO2","Ingredient_weight": "198.22","OB_score": "NA","CAS_id": "56319-19-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7513","PubChem_id": "5375536","DrugBank_id": "NA"}
annuadiepoxide
{"Ingredient_id": "HBIN016241","Ingredient_name": "annuadiepoxide","Alias": "NA","Ingredient_formula": "C13H10O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1334","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}