Exact Mass: 232.0812
Exact Mass Matches: 232.0812
Found 500 metabolites which its exact mass value is equals to given mass value 232.0812,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Nalidixic Acid
Nalidixic Acid is only found in individuals that have used or taken this drug. It is a synthetic 1,8-naphthyridine antimicrobial agent with a limited bacteriocidal spectrum. It is an inhibitor of the A subunit of bacterial DNA gyrase. [PubChem]Evidence exists for Nalidixic acid that its active metabolite, hydroxynalidixic acid, binds strongly, but reversibly, to DNA, interfering with synthesis of RNA and, consequently, with protein synthesis. CONFIDENCE standard compound; INTERNAL_ID 840; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3554; ORIGINAL_PRECURSOR_SCAN_NO 3553 CONFIDENCE standard compound; INTERNAL_ID 840; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7969; ORIGINAL_PRECURSOR_SCAN_NO 7967 CONFIDENCE standard compound; INTERNAL_ID 840; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3567; ORIGINAL_PRECURSOR_SCAN_NO 3565 CONFIDENCE standard compound; INTERNAL_ID 840; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8010; ORIGINAL_PRECURSOR_SCAN_NO 8008 CONFIDENCE standard compound; INTERNAL_ID 840; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7993; ORIGINAL_PRECURSOR_SCAN_NO 7988 CONFIDENCE standard compound; INTERNAL_ID 840; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7958; ORIGINAL_PRECURSOR_SCAN_NO 7956 CONFIDENCE standard compound; INTERNAL_ID 840; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8025; ORIGINAL_PRECURSOR_SCAN_NO 8023 CONFIDENCE standard compound; INTERNAL_ID 840; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8010; ORIGINAL_PRECURSOR_SCAN_NO 8009 J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic C254 - Anti-Infective Agent > C255 - Urinary Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents KEIO_ID N067; [MS2] KO009130 D004791 - Enzyme Inhibitors KEIO_ID N067 Nalidixic acid, a quinolone antibiotic, is effective against both gram-positive and gram-negative bacteria. Nalidixic acid acts in a bacteriostatic manner in lower concentrations and is bactericidal in higher concentrations. Nalidixic acid inhibits a subunit of DNA gyrase and topoisomerase IV and reversibly blocks DNA replication in susceptible bacteria[1]. Nalidixic acid, a quinolone antibiotic, is effective against both gram-positive and gram-negative bacteria. Nalidixic acid acts in a bacteriostatic manner in lower concentrations and is bactericidal in higher concentrations. Nalidixic acid inhibits a subunit of DNA gyrase and topoisomerase IV and reversibly blocks DNA replication in susceptible bacteria[1].
FLUOMETURON
CONFIDENCE standard compound; INTERNAL_ID 921; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8414; ORIGINAL_PRECURSOR_SCAN_NO 8413 CONFIDENCE standard compound; INTERNAL_ID 921; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8483; ORIGINAL_PRECURSOR_SCAN_NO 8479 CONFIDENCE standard compound; INTERNAL_ID 921; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8454; ORIGINAL_PRECURSOR_SCAN_NO 8453 CONFIDENCE standard compound; INTERNAL_ID 921; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8416; ORIGINAL_PRECURSOR_SCAN_NO 8415 CONFIDENCE standard compound; INTERNAL_ID 921; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8468; ORIGINAL_PRECURSOR_SCAN_NO 8466 CONFIDENCE standard compound; INTERNAL_ID 921; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4168; ORIGINAL_PRECURSOR_SCAN_NO 4167 CONFIDENCE standard compound; INTERNAL_ID 921; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4190; ORIGINAL_PRECURSOR_SCAN_NO 4189 CONFIDENCE standard compound; INTERNAL_ID 921; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4172; ORIGINAL_PRECURSOR_SCAN_NO 4171 CONFIDENCE standard compound; INTERNAL_ID 921; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8464; ORIGINAL_PRECURSOR_SCAN_NO 8462 CONFIDENCE standard compound; INTERNAL_ID 921; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4199; ORIGINAL_PRECURSOR_SCAN_NO 4198 CONFIDENCE standard compound; INTERNAL_ID 921; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4184; ORIGINAL_PRECURSOR_SCAN_NO 4183 CONFIDENCE standard compound; INTERNAL_ID 921; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4155; ORIGINAL_PRECURSOR_SCAN_NO 4154 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3709
Phenobarbital
Phenobarbital is only found in individuals that have used or taken this drug. It is a barbituric acid derivative that acts as a nonselective central nervous system depressant.Phenobarbital acts on GABAA receptors, increasing synaptic inhibition. This has the effect of elevating seizure threshold and reducing the spread of seizure activity from a seizure focus. Phenobarbital may also inhibit calcium channels, resulting in a decrease in excitatory transmitter release. The sedative-hypnotic effects of phenobarbital are likely the result of its effect on the polysynaptic midbrain reticular formation, which controls CNS arousal. Phenobarbital appears as odorless white crystalline powder or colorless crystals. A saturated aqueous solution is acid to litmus (approximately pH 5). Slightly bitter taste. (NTP, 1992) Phenobarbital is a member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and phenyl groups. It has a role as an anticonvulsant, a sedative, an excitatory amino acid antagonist and a drug allergen. Phenobarbital is a DEA Schedule IV controlled substance. Substances in the DEA Schedule IV have a low potential for abuse relative to substances in Schedule III. It is a Depressants substance. A barbituric acid derivative that acts as a nonselective central nervous system depressant. It promotes binding to inhibitory gamma-aminobutyric acid subtype receptors, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations. Phenobarbital is a barbiturate that is widely used as a sedative and an antiseizure medication. Phenobarbital has been linked to rare instances of idiosyncratic liver injury that can be severe and even fatal. Phenobarbital is a long-acting barbituric acid derivative with antipsychotic property. Phenobarbital binds to and activates the gamma-aminobutyric acid (GABA)-A receptor, thereby mimicking the inhibitory actions of GABA in the brain. The activation effects of the phenobarbital-receptor-ionophore complex include increased frequency of chloride channel openings, membrane hyperpolarization and ultimately synaptic inhibition and decreased neuronal excitability. In addition, this agent inhibits glutamate induced depolarization. Phenobarbital is only found in individuals that have used or taken this drug. It is a barbituric acid derivative that acts as a nonselective central nervous system depressant. It promotes binding to inhibitory gamma-aminobutyric acid subtype receptors, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations. [PubChem] Phenobarbital acts on GABAA receptors, increasing synaptic inhibition. This has the effect of elevating seizure threshold and reducing the spread of seizure activity from a seizure focus. Phenobarbital may also inhibit calcium channels, resulting in a decrease in excitatory transmitter release. The sedative-hypnotic effects of phenobarbital are likely the result of its effect on the polysynaptic midbrain reticular formation, which controls CNS arousal. A barbituric acid derivative that acts as a nonselective central nervous system depressant. It potentiates GAMMA-AMINOBUTYRIC ACID action on GABA-A RECEPTORS, and modulates chloride currents through receptor channels. It also inhibits glutamate induced depolarizations.
Cryptolepine
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents
1-Methoxypyrene
This compound belongs to the family of Pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
2-hydroxy-7-methoxy-5-methyl-1-naphthoic acid
A member of the class of naphthoic acids that is 1-naphthoic acid substituted at positions 2, 5 and 7 by hydroxy, methyl and methoxy groups respectively.
Ethyl 5-oxo-1-phenyl-2-pyrazoline-3-carboxylate
CONFIDENCE standard compound; INTERNAL_ID 884; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3866; ORIGINAL_PRECURSOR_SCAN_NO 3864 CONFIDENCE standard compound; INTERNAL_ID 884; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3825; ORIGINAL_PRECURSOR_SCAN_NO 3823 CONFIDENCE standard compound; INTERNAL_ID 884; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3826; ORIGINAL_PRECURSOR_SCAN_NO 3824 CONFIDENCE standard compound; INTERNAL_ID 884; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3853; ORIGINAL_PRECURSOR_SCAN_NO 3850 CONFIDENCE standard compound; INTERNAL_ID 884; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3819; ORIGINAL_PRECURSOR_SCAN_NO 3818 CONFIDENCE standard compound; INTERNAL_ID 884; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3819; ORIGINAL_PRECURSOR_SCAN_NO 3816 CONFIDENCE standard compound; INTERNAL_ID 884; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7958; ORIGINAL_PRECURSOR_SCAN_NO 7956 CONFIDENCE standard compound; INTERNAL_ID 884; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7993; ORIGINAL_PRECURSOR_SCAN_NO 7988 CONFIDENCE standard compound; INTERNAL_ID 884; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8010; ORIGINAL_PRECURSOR_SCAN_NO 8008 CONFIDENCE standard compound; INTERNAL_ID 884; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8025; ORIGINAL_PRECURSOR_SCAN_NO 8023 CONFIDENCE standard compound; INTERNAL_ID 884; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8010; ORIGINAL_PRECURSOR_SCAN_NO 8009
(2S,3S,4S)-5,7,9,11-Tridecatetrayne-1,2,3,4-tetrol
(2S,3S,4S)-5,7,9,11-Tridecatetrayne-1,2,3,4-tetrol is found in mushrooms. (2S,3S,4S)-5,7,9,11-Tridecatetrayne-1,2,3,4-tetrol is isolated from Fistulina hepatica (beefsteak fungus). Isolated from Fistulina hepatica (beefsteak fungus). (2S,3S,4S)-5,7,9,11-Tridecatetrayne-1,2,3,4-tetrol is found in mushrooms.
Sampangine
Sampangine is an alkaloid from the stem bark of Cananga odorata (ylang ylang Alkaloid from the stem bark of Cananga odorata (ylang ylang).
Dihydrocoriandrin
Dihydrocoriandrin is found in coriander. Dihydrocoriandrin is a constituent of Coriandrum sativum (coriander). Constituent of Coriandrum sativum (coriander). Dihydrocoriandrin is found in coriander and herbs and spices.
Salfredin B11
Salfredin B11 is found in herbs and spices. Salfredin B11 is a constituent of the seeds of Nigella sativa (black cumin). Constituent of the seeds of Nigella sativa (black cumin). Salfredin B11 is found in herbs and spices.
Cassiachromone
Cassiachromone is found in green vegetables. Cassiachromone is isolated from Rheum sp. (rhubarb
Glycerol 1-propanoate diacetate
Glycerol 1-propanoate diacetate is classified as a Natural Food Constituent (code WA) in the DFC
Indole-3-acetylglycine
Indole-3-acetylglycine also known as N-(3-indolylacetyl)glycine, belongs to the class of organic compounds known as N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha-amino acid which bears an acyl group at its terminal nitrogen atom. Indole-3-acetylglycine has been identified in urine (PMID: 31396400).
Dazoxiben
C78275 - Agent Affecting Blood or Body Fluid > C29750 - Thrombolytic Agent D004791 - Enzyme Inhibitors
(2S)-5-Amino-2-[(2-carboxy-2-oxoethyl)amino]-5-oxopentanoic acid
Sodium octyl sulfate
It is used in washing/lye peeling of fruits and vegetables, poultry scald agent
Dihydrocoriandrin
1-Pyrenemethanol
http://casmi-contest.org/challenges-cat1-2.shtml; CASMI2012 LC Challenge 11
(-)-Goniobutenolide B|(?)-goniobutenolide B|goniobutenolide B
tremeton, 2,3-dehydro-2-<2-propanyl-2,3-epoxi-1-ol>
6-Hydroxy-4,5-dimethoxy-2-naphthaldehyd|6-hydroxy-4,5-dimethoxy-2-naphthaldehyde|6-Hydroxy-4,5-dimethoxy-naphthaldehyd-(2)
2,4-Pentadienoic acid, 5-(1,3-benzodioxol-5-yl)-, methyl ester, (E,Z)-
6-Deoxy-2-O-methyl-3-C-methuyltalose, 9CI-beta-L-Pyranose-form-Me glycoside, 2,4-di-Ac
Ac-(7E)-2-Chloro-3-(7-nonene-1, 3, 5-triynyl)cyclopropanemethanol, 8CI
(+)-crassalactone D|8-epi-crassalactone D|crassalactone D
5-ethylidene-2-hydroxy-2-hydroxymethyl-3-methylhexane-dioic acid|isatinecic acid|Retronecinsaeure|Retronecinsaeure (14Cn)|Retronecinsaeure <14Cn>
Kifunensine
D004791 - Enzyme Inhibitors Kifunensine, a potent and selective inhibitor of class I α-mannosidases isolated from Actinomycete, prevents α-mannosidases I from trimming mannose residues on glycoproteins. Kifunensine inhibits ERAD[1][2][3].
beta-Methylene-5-acetyl-6-hydroxy-2-benzofuranethanol
Me glycoside,2,3-O-isopropylidene,Me ester-beta-D-Furanose-Riburonic acid
3-Hydroxy-5-methoxy-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
(-)-(3S)-7-hydroxy-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid|brunnein C
4-hydroxy-3,8-dimethoxy-1-naphthaldehyde|eucleanal B
5-hydroxy-9-methyl-1-(2-oxopropyl)benzo[beta]oxepin-7(2H)-one
5-acetyl-6-hydroxy-2-isopropylidene-3(2h)-benzofuranone
2-Naphthalenecarboxylic acid, 5-hydroxy-4-methoxy-, methyl ester
2-hydroxy-2-(4-hydroxybenzyl)-4-methylcyclopent-4-ene-1,3-dione
di-(3-deoxy-D-glycero-pentulose) 1,2:2,1 dianhydride
2-[(5-Acetyl-6-hydroxy-2,3-dihydrobenzofuran)-2-yl]acrylaldehyde
2-(1-Formylethenyl)-5-hydroxy-6-acetyl-2,3-dihydrobenzofuran
(R)-coniochaetone B|(r)-form-Coniochaetone B|coniochaetone B
1-(6,7-dihydroxy-2-isopropenyl-benzofuran-5-yl)-ethanone|6,7-Dihydroxy-2-isopropenyl-5-acetyl-cumaron|7-Hydroxyeuparin
3-acetoxy-7-methyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
(2Z,8Z)-10-acetoxydeca-2,8-diene-4,6-diynoic acid methyl ester|10-Acetoxy-cis,cis-matricariaester|Ac,Me ester-(Z,Z)-10-Hydroxy-2,8-decadiene-4,6-diynoic acid|methyl 2(Z),8(Z)-10-acetoxymatricariate|methyl Z,Z-10-acetoxy-matricariate
todralazine
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents CONFIDENCE standard compound; INTERNAL_ID 1276; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4755; ORIGINAL_PRECURSOR_SCAN_NO 4753 CONFIDENCE standard compound; INTERNAL_ID 1276; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4752; ORIGINAL_PRECURSOR_SCAN_NO 4751 CONFIDENCE standard compound; INTERNAL_ID 1276; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4779; ORIGINAL_PRECURSOR_SCAN_NO 4778 CONFIDENCE standard compound; INTERNAL_ID 1276; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4772; ORIGINAL_PRECURSOR_SCAN_NO 4769 CONFIDENCE standard compound; INTERNAL_ID 1276; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4779; ORIGINAL_PRECURSOR_SCAN_NO 4777
Nalidixic acid
A monocarboxylic acid comprising 1,8-naphthyridin-4-one substituted by carboxylic acid, ethyl and methyl groups at positions 3, 1, and 7, respectively. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic C254 - Anti-Infective Agent > C255 - Urinary Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D004791 - Enzyme Inhibitors Nalidixic acid, a quinolone antibiotic, is effective against both gram-positive and gram-negative bacteria. Nalidixic acid acts in a bacteriostatic manner in lower concentrations and is bactericidal in higher concentrations. Nalidixic acid inhibits a subunit of DNA gyrase and topoisomerase IV and reversibly blocks DNA replication in susceptible bacteria[1]. Nalidixic acid, a quinolone antibiotic, is effective against both gram-positive and gram-negative bacteria. Nalidixic acid acts in a bacteriostatic manner in lower concentrations and is bactericidal in higher concentrations. Nalidixic acid inhibits a subunit of DNA gyrase and topoisomerase IV and reversibly blocks DNA replication in susceptible bacteria[1].
C13H12O4_3-Hydroxy-2-phenyl-2,3,3a,7a-tetrahydro-5H-furo[3,2-b]pyran-5-one
phenobarbital
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AA - Barbiturates and derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D065693 - Cytochrome P-450 Enzyme Inducers > D065695 - Cytochrome P-450 CYP2B6 Inducers D065693 - Cytochrome P-450 Enzyme Inducers > D065701 - Cytochrome P-450 CYP3A Inducers D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
ethyl 5-oxo-1-phenyl-4H-pyrazole-3-carboxylate
CONFIDENCE standard compound; INTERNAL_ID 884; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7969; ORIGINAL_PRECURSOR_SCAN_NO 7967
Sampangine
A copyrine alkaloid with formula C15H8N2O, extracted from several plants including the stem bark of Cananga odorata. It is a heme biosynthesis inhibitor and exhibits antifungal and anticancer properties.
Pyrrolo[2,1-b]quinazolin-9(1H)-one,2,3-dihydro-3-hydroxy-5-methoxy-
1-Phthalazineaceticacid, 3,4-dihydro-4-oxo-, ethyl ester
6-CHLORO-3-(1,2,3,6-TETRAHYDRO-PYRIDIN-4-YL)-1H-INDOLE
2-(2-AMINO-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
ETHYL5-AMINO-1-(PYRIDIN-2-YL)-1H-PYRAZOLE-4-CARBOXYLATE
Ethyl 7-methyl-4-oxo-4H-pyrido(1,2-a)pyrimidine-3-carboxylate
FURAN-2-CARBOXYLIC ACID (4-AMINO-2-METHOXY-PHENYL)-AMIDE
1H-Indole,5,7-difluoro-2,3-dihydro-2-(3-pyridinyl)-(9CI)
ETHYL 2-METHYL-5-OXO-5,6-DIHYDRO[1,6]NAPHTHYRIDINE-3-CARBOXYLATE
5-(4-Methoxyphenyl)-2-Methylpyrazole-3-carboxylic acid
4-(4-oxo-3,4-dihydroquinazolin-2-yl)butanoic acid(SALTDATA: FREE)
ETHYL 2-(5-PHENYL-2H-1,2,3,4-TETRAAZOL-2-YL)ACETATE
1H-Pyrazole-4-carboxylicacid, 2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-
6,6-Dimethyl-3-(trifluoromethyl)-6,7-dihydro-1H-indazol-4(5H)-one
2-(4-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid
3-(3,4-DIMETHOXYPHENYL)-1H-PYRAZOLE-4-CARBALDEHYDE
(S)-2-[BENZYL-(3-CHLORO-2-HYDROXY-PROPYL)-AMINO]-N-(4-BENZYLOXY-PHENYL)-ACETAMIDE
5-(4-METHOXYPHENYL)FURAN-2-CARBOXYLIC ACID METHYL ESTER
5-(4-METHOXYPHENYL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
5-METHYL-2-OXO-5-PHENYL-2,5-DIHYDROFURAN-3-CARBOXYLIC ACID METHYL ESTER
1,2,3,4-TETRAHYDRO-1,4-METHANONAPHTHALENE-2,3-DICARBOXYLIC ACID
5-(3-Methoxy-phenyl)-2H-pyrazole-3-carboxylic acid methyl ester
methyl 3-[[(4R)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]propanoate
Pyrimido[4,5-b]quinoline-2(1H)-thione, 4-amino-6,7,8,9-tetrahydro- (9CI)
Molinazone
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
2-(3-AMINO-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
Ethyl 4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine-3-carboxylate hydrochloride
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
2-(4-METHOXY-PHENYL)-5-METHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
3-ETHYL-4-OXO-3,4-DIHYDRO-PHTHALAZINE-1-CARBOXYLIC ACID METHYL ESTER
ethyl 4-hydroxy-7-methyl-1,8-naphthyridine-3-carboxylate
4-OXO-1,2,3,3A,4,5-HEXAHYDRO-PYRROLO[1,2-A]QUINOXALINE-7-CARBOXYLIC ACID
Ethyl 3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxylate
ETHYL5-AMINO-1-(PYRIDIN-4-YL)-1H-PYRAZOLE-4-CARBOXYLATE
3-ACETYLAMINO-5-METHYL-1H-INDOLE-2-CARBOXYLIC ACID
2-(3-aminopropylamino)ethylsulfanylphosphonic acid,hydrate
1,3-Dihydroxy-2-naphthalenecarboxylic acid ethyl ester
4-(4,5,6,7-tetrahydro-1H-[1,3]thiazolo[5,4-c]pyridin-2-ylidene)cyclohexa-2,5-dien-1-one
Cyclohexane, 1-(bromomethyl)-4-(1,1-dimethylethyl)
(2-OXO-3-PYRIDIN-4-YL-PROPYL)-CARBAMICACIDTERT-BUTYLESTER
1-(4-METHOXYPHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBOXYLICACID
3-(ETHOXYCARBONYL)-2-METHYLQUINOXALIN-1-IUM-1-OLATE
(E)-1-[1-(2-Hydroxyphenyl)-2-(methylthio)ethenyl]-1H-imidazole
Carbamimidothioic acid, N,N-bis[(ethylamino)carbonyl]-, methyl ester
2-(6-METHOXYNAPHTHALEN-1-YL)-2-OXOACETALDEHYDE HYDRATE
5-(2-METHOXYPHENYL)FURAN-2-CARBOXYLIC ACID METHYL ESTER
5-Methoxy-7-trifluoromethyl-1,2,3,4-tetrahydro-[2,6]naphthyridine
(3-((1H-1,2,4-TRIAZOL-3-YL)CARBAMOYL)PHENYL)BORONIC ACID
methyl (5-hydroxy-1-phenyl-1H-pyrazol-3-yl)acetate
5-(4-Methoxy-phenyl)-2H-pyrazole-3-carboxylic acid methyl ester
1,2,3,4-TETRAHYDRO-6-METHYL-2-OXO-4-PHENYL-5-PYRIMIDINECARBOXYLIC ACID
(3-BENZO[1,3]DIOXOL-5-YLMETHYL-3H-IMIDAZOL-4-YL)-METHANOL
Ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate hydrochloride
5-(2-METHOXY-PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER
(S)-1-(TERT-BUTOXYCARBONYL)-4,4-DIFLUOROPYRROLIDINE-2-CARBOXYLICACID
2-(3-(4-Methoxyphenyl)-1H-pyrazol-1-yl)acetic acid
Ethyl 8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate
2-[4-(3-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile
Ethyl 6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
Ethyl 9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 4-oxo-, ethyl ester
(2S)-5-Amino-2-[(2-carboxy-2-oxoethyl)amino]-5-oxopentanoic acid
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
5-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazol-3-amine
(5Z)-5-benzylidene-2-ethylsulfanyl-1H-imidazol-4-one
1-(3,4-Dihydroxyphenyl)-2-(2-methyl-1-imidazolyl)ethanone
1-(3,4-Dihydroxyphenyl)-2-(4-methyl-1-pyrazolyl)ethanone
2-methyl-N-[(E)-(5-methylfuran-2-yl)methylidene]furan-3-carbohydrazide
7-(hydroxymethyl)-6-[(E)-2-methoxyethenyl]chromen-2-one
5-hydroxy-3-[(E)-3-hydroxybut-1-enyl]isochromen-1-one
3-hydroxy-6-[(E)-2-methoxyethenyl]-7-methylchromen-2-one
Cryptolepine
An organic heterotetracyclic compound that is 5H-indolo[3,2-b]quinoline in which the hydrogen at position N-5 is replaced by a methyl group. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents
N-(indol-3-ylacetyl)glycine
An N-acylglycine in which the N-acyl group is specified as indol-3-ylacetyl.
geranyl phosphate(2-)
An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of geranyl phosphate; major species at pH 7.3.
(2S,3S,4S)-5,7,9,11-Tridecatetrayne-1,2,3,4-tetrol
N-[(2S)-2-amino-2-carboxyethyl]-L-glutamate(2-)
A tricarboxylic acid dianion obtained by deprotonation of the three carboxy groups and protonation of the secondary amino group of N-[(2S)-2-amino-2-carboxyethyl]-L-glutamic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Ethylenediaminetriacetate(2-)
A tricarboxylic acid anion obtained by removal of two protons from ethylenediaminetriacetic acid.
1-[5-hydroxy-2-(1-hydroxyprop-1-en-1-yl)-1-benzofuran-6-yl]ethanone
4-methoxy-5-[methoxy(phenyl)methylidene]furan-2-one
6,7-dihydroxy-7-(hydroxymethyl)-5-methoxy-hexahydrocyclopenta[c]pyran-3-one
(2s,3r,5z)-5-ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid
1,6-dihydroxy-8-methyl-1h,2h,3h-cyclopenta[c]isochromen-5-one
(5r)-3,7-dimethyl-2,6-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),3,7,9,11-pentaene-5,11-diol
9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,5,6-triol
(3r)-3-hydroxy-7-methoxy-1h,2h,3h-pyrrolo[2,1-b]quinazolin-9-one
(11s)-7-hydroxy-11-(prop-1-en-2-yl)-4,10-dioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-5-one
6-hydroxy-7-[(2-methylprop-1-en-1-yl)oxy]chromen-2-one
2,7,8-trihydroxy-6-methyl-1-naphthalenecarboxaldehyde; 8-me ether
{"Ingredient_id": "HBIN004998","Ingredient_name": "2,7,8-trihydroxy-6-methyl-1-naphthalenecarboxaldehyde; 8-me ether","Alias": "NA","Ingredient_formula": "C13H12O4","Ingredient_Smile": "NA","Ingredient_weight": "232.23","OB_score": "NA","CAS_id": "205672-79-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8809","PubChem_id": "NA","DrugBank_id": "NA"}
5,8-dihydroxy-2,3,7-trimethyl-1,4-naphthalene dione
{"Ingredient_id": "HBIN011338","Ingredient_name": "5,8-dihydroxy-2,3,7-trimethyl-1,4-naphthalene dione","Alias": "NA","Ingredient_formula": "C13H12O4","Ingredient_Smile": "CC1=CC(=O)C2=C(C(=C(C(=C2C1=O)O)C)C)O","Ingredient_weight": "232.23 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7702","PubChem_id": "616091","DrugBank_id": "NA"}
6-(trans-1-buten-3-oxy)-7-methoxycoumarin
{"Ingredient_id": "HBIN012828","Ingredient_name": "6-(trans-1-buten-3-oxy)-7-methoxycoumarin","Alias": "NA","Ingredient_formula": "C13H12O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2780","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
