Exact Mass: 236.08104079999998
Exact Mass Matches: 236.08104079999998
Found 500 metabolites which its exact mass value is equals to given mass value 236.08104079999998,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Carbamazepine
C15H12N2O (236.09495819999998)
An anticonvulsant used to control grand mal and psychomotor or focal seizures. Its mode of action is not fully understood, but some of its actions resemble those of phenytoin; although there is little chemical resemblance between the two compounds, their three-dimensional structure is similar. [PubChem] CONFIDENCE standard compound; INTERNAL_ID 1266; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8204; ORIGINAL_PRECURSOR_SCAN_NO 8202 CONFIDENCE standard compound; INTERNAL_ID 1266; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8207; ORIGINAL_PRECURSOR_SCAN_NO 8205 CONFIDENCE standard compound; INTERNAL_ID 1266; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8220; ORIGINAL_PRECURSOR_SCAN_NO 8219 CONFIDENCE standard compound; INTERNAL_ID 1266; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8219; ORIGINAL_PRECURSOR_SCAN_NO 8218 CONFIDENCE standard compound; INTERNAL_ID 1266; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8180; ORIGINAL_PRECURSOR_SCAN_NO 8179 CONFIDENCE standard compound; INTERNAL_ID 1266; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8187; ORIGINAL_PRECURSOR_SCAN_NO 8184 D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D018692 - Antimanic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AF - Carboxamide derivatives D065693 - Cytochrome P-450 Enzyme Inducers > D065701 - Cytochrome P-450 CYP3A Inducers D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; EAWAG_UCHEM_ID 194 CONFIDENCE standard compound; INTERNAL_ID 1120 CONFIDENCE standard compound; INTERNAL_ID 30 [Raw Data] CBB02_Carbamazepine_pos_50eV.txt [Raw Data] CBB02_Carbamazepine_pos_20eV.txt [Raw Data] CBB02_Carbamazepine_pos_30eV.txt [Raw Data] CBB02_Carbamazepine_pos_10eV.txt [Raw Data] CBB02_Carbamazepine_pos_40eV.txt D049990 - Membrane Transport Modulators Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Didanosine
A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. Didanosine is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA by binding to reverse transcriptase; ddI is then metabolized to dideoxyadenosine triphosphate, its putative active metabolite. [PubChem] J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 3135 Didanosine (2',3'-Dideoxyinosine; ddI) is a a potent and orally active dideoxynucleoside analogue, and also is a potent nucleoside reverse transcriptase inhibitor. Didanosine shows antiretroviral activity for HIV[1][2][3].
5,6,7-Trimethoxycoumarin
A member of the class of coumarins that is coumarin substituted by methoxy groups at positions 5, 6 and 7.
L-Formylkynurenine
C11H12N2O4 (236.07970319999998)
This compound belongs to the family of Butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.
Glycosminine
C15H12N2O (236.09495819999998)
Specific inhibitor of serine protease and human leucocyte elastase. Specific inhibitor of serine protease and human leucocyte elastase
alpha-(p-Methoxyphenyl)-3-pyridineacrylonitrile
C15H12N2O (236.09495819999998)
alpha-(p-Methoxyphenyl)-2-pyridineacrylonitrile
C15H12N2O (236.09495819999998)
Buturon
CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8604; ORIGINAL_PRECURSOR_SCAN_NO 8601 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8543; ORIGINAL_PRECURSOR_SCAN_NO 8540 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3999; ORIGINAL_PRECURSOR_SCAN_NO 3997 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8573; ORIGINAL_PRECURSOR_SCAN_NO 8571 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8609; ORIGINAL_PRECURSOR_SCAN_NO 8604 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4000; ORIGINAL_PRECURSOR_SCAN_NO 3997 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8607; ORIGINAL_PRECURSOR_SCAN_NO 8605 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4014; ORIGINAL_PRECURSOR_SCAN_NO 4010 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4010; ORIGINAL_PRECURSOR_SCAN_NO 4007 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4035; ORIGINAL_PRECURSOR_SCAN_NO 4033
N'-Formylkynurenine
C11H12N2O4 (236.07970319999998)
Plays an especially improtant role in photobiological responses. The excited states of N-formylkynurenine react to produce hydroxyl radicals. [HMDB] Plays an especially improtant role in photobiological responses. The excited states of N-formylkynurenine react to produce hydroxyl radicals.
Austdiol
Austdiol is a toxic metabolite of the food storage mould Aspergillus ustu
Zileuton
Leukotrienes are substances that induce numerous biological effects including augmentation of neutrophil and eosinophil migration, neutrophil and monocyte aggregation, leukocyte adhesion, increased capillary permeability, and smooth muscle contraction. These effects contribute to inflammation, edema, mucus secretion, and bronchoconstriction in the airways of asthmatic patients. Zileuton relieves such symptoms through its selective inhibition of 5-lipoxygenase, the enzyme that catalyzes the formation of leukotrienes from arachidonic acid. Specifically, it inhibits leukotriene LTB4, LTC4, LTD4, and LTE4 formation. Both the R(+) and S(-) enantiomers are pharmacologically active as 5-lipoxygenase inhibitors in in vitro systems. D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D020024 - Leukotriene Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Zileuton is a potent and selective inhibitor of 5-lipoxygenase with antiasthmatic properties.
Pterosin F
Constituent of Pteridium aquilinum (bracken fern). Pterosin F is found in green vegetables and root vegetables. Pterosin F is found in green vegetables. Pterosin F is a constituent of Pteridium aquilinum (bracken fern).
Dillapional
Minor constituent of Anethum sowa (Indian dill) oil. Dillapional is found in dill and herbs and spices. Dillapional is found in dill. Dillapional is a minor constituent of Anethum sowa (Indian dill) oi
(S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid
(S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid is found in green vegetables. (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid is a constituent of Rheum sp. (rhubarb). Constituent of Rheum species (rhubarb). (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid is found in green vegetables.
Apional
Apional is found in herbs and spices. Apional is a constituent of parsley (Petroselinum hortense). Constituent of parsley (Petroselinum hortense). Apional is found in herbs and spices.
S-aminomethyldihydrolipoamide
S-aminomethyldihydrolipoamide is an intermediate in the glycine, serine, threonine metabolism pathway. The enzyme glycine dehydrogenase (decarboxylating) [EC:1.4.4.2] catalyzes the production and consumption of this metabolite in the mitochondria (reversible reaction). [HMDB] S-aminomethyldihydrolipoamide is an intermediate in the glycine, serine, threonine metabolism pathway. The enzyme glycine dehydrogenase (decarboxylating) [EC:1.4.4.2] catalyzes the production and consumption of this metabolite in the mitochondria (reversible reaction). COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Methionyl-Serine
Methionyl-Serine is a dipeptide composed of methionine and serine. 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.
Serylmethionine
Serylmethionine is a dipeptide composed of serine 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.
Acetamide, N-[4-[[(aminothioxomethyl)hydrazono]methyl]phenyl]-
C10H12N4OS (236.07317819999997)
4-Acetylaminohippuric acid
C11H12N2O4 (236.07970319999998)
Carbazochrome
B - Blood and blood forming organs > B02 - Antihemorrhagics > B02B - Vitamin k and other hemostatics D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics C78275 - Agent Affecting Blood or Body Fluid > C78311 - Hemostatic Agent Carbazochrome is a capillary stabiliser and used for the research of haemorrhage. Carbazochrome is an antihemorrhagic agent[1].
Nafimidone
C15H12N2O (236.09495819999998)
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent
(2S)-4-(2-Aminophenyl)-2-formamido-4-oxobutanoic acid
C11H12N2O4 (236.07970319999998)
Dimethylfraxetin
6,7,8-trimethoxy-1-benzopyran-2-one is a member of coumarins. Dimethylfraxetin is a natural product found in Pittosporum illicioides, Garcinia multiflora, and other organisms with data available. Dimethylfraxetin is a Carbonic anhydrase inhibitor, with a Ki value of 0.0097 μM. Dimethylfraxetin is a Carbonic anhydrase inhibitor, with a Ki value of 0.0097 μM.
(Z)-(-)-8-Chloro-6-chloromethyl-3-methoxy-2-methyl-1,6--octadiene
Murrayacarpin B
8-(Hydroxymethyl)-5,7-dimethoxychromen-2-one is a natural product found in Murraya paniculata with data available.
6-Methylflavone
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.300 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.302 6-Methylflavone is an activator of α1β2γ2L and α1β2 GABAA receptors. 6-Methylflavone is an activator of α1β2γ2L and α1β2 GABAA receptors.
4-ethyl-N-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
C12H16N2OS (236.09832859999997)
1-{4-hydroxy-2-oxo-6-[(1E)-prop-1-en-1-yl]-2H-pyran-3-yl}butane-1,2-dione
Harmalol hydrochloride
Harmalol hydrochloride, a beta carboline alkaloid, presents in several medicinal plants such as Peganum harmala. Harmalol hydrochloride, main metabolite of Harmaline, significantly inhibits the dioxin-mediated induction of CYP1A1 at the transcriptional and posttranslational levels. Harmalol hydrochloride possesses antioxidant and hydroxyl radical-scavenging properties[1]. Harmalol hydrochloride, a beta carboline alkaloid, presents in several medicinal plants such as Peganum harmala. Harmalol hydrochloride, main metabolite of Harmaline, significantly inhibits the dioxin-mediated induction of CYP1A1 at the transcriptional and posttranslational levels. Harmalol hydrochloride possesses antioxidant and hydroxyl radical-scavenging properties[1].
3-O-((R)-1-carboxyethyl)-alpha-L-rhamnose|3-O-<(R)-1-carboxyethyl>-alpha-L-rhamnose|3-O-<(R)-1-carboxyethyl>-L-rhamnose
(2E,6Z)-8-chloro-6-chloromethyl-1-methoxy-2-methylocta-2,6-diene|Me ether-(2E, 6Z)-8-Chloro-6-chloromethyl-2-methyl-2, 6-octadien-1-ol
(3R)-5-carbomethoxymellein|(R)-(-)-5-methoxycarbonylmellein|5-carbomethoxy-3,4-dihydro-8-hydroxy-(3R)-methylisocoumarin|5-methoxycarbonylmellein
2,3,4-tri-O-methyl-D-glucuronic acid|2.3.4-Tri-O-methyl-D-glucuronsaeure|O2,O3,O4-trimethyl-D-glucuronic acid|O2,O3,O4-Trimethyl-D-glucuronsaeure
6-hydroxy-7,8-dimethoxy-4-methyl-chromen-2-one|6-hydroxy-7,8-dimethoxy-4-methyl-coumarin|6-Hydroxy-7,8-dimethoxy-4-methyl-cumarin|troupin (F)
5-methyl-5-(3-oxo-cyclohex-1-enyl)-barbituric acid|5-Methyl-5-(3-oxo-cyclohex-1-enyl)-barbitursaeure|5-methyl-5-(3-oxo-cyclohex-1-enyl)-pyrimidine-2,4,6-trione|5-Methyl-5-<3-oxo-cyclohexen-(1)-yl>-barbitursaeure
C11H12N2O4 (236.07970319999998)
(2E,4E)-2-ethyl-5-(4-methyl-2,5-dioxo-2,5-dihydrofuran-3-yl)penta-2,4-dienoic acid|2,3-didehydrotelfairic anhydride
3,6,7,8-tetrahydro-4,7,8-trihydroxynaphtho[2,3-c]furan-5(1H)-one|nodulone
5-Hydroxy-3-methyl-2-(hydroxymethyl)-7-methoxychromone
4,5-Methylene ether,2,4-dinitrophenylhydrazone-1-(2,4,5-Trihydroxyphenyl)-1-propanone,
6-hydroxy-4-hydroxymethyl-8-methoxy-3-methylisocoumarin
5-carboxyl-2-[2-(1,2-dihydroxyisopropyl)]benzofuran
7-Acetoxy-6-methoxy-chroman-2-on|7-acetoxy-6-methoxy-chroman-2-one
(+)-(S)-2-(3-hydroxy-4-methoxy-2-oxoindolin-3-yl)acetamide
C11H12N2O4 (236.07970319999998)
8S-(2)-8-(4-hydroxy-3-methoxybenzoyl)dihydrofuran-8(8H)-one
(E)-methyl 3-methoxy-2-[3,4-(methylenedioxy)phenyl]propenoate
Tri-Me ether-5,7,8-Trihydroxy-2H-1-benzopyran-2-one
3-(3,4-Dihydroxy-3-methyl-1-butynyl)-4-hydroxybenzoic acid|4-hydroxy-3-(3,4-dihydroxy-3-methylbut-1-ynyl)benzoic acid
(S)-6-(1-hydroxypropyl)-3-methyllumazine|Leucettidine
2-(hydroxymethyl)-6-methylmethyleugenin|5-hydroxy-2-(hydroxymethyl)-7-methoxy-6-methyl-4H-1-benzopyran-4-one
3(R)-methyl-6-methoxy-7,8-methylenedioxydihydroisocoumarin|dihydroinversin
6-Me ether,4-Ac-4,6-Dihydroxy-5-methyl-1(3H)-isobenzofuranone
3-methoxy-4,5-methylenedioxycinnamic acid methyl ester|methyl (2E)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enoate
harmalol
Harmalol hydrochloride, a beta carboline alkaloid, presents in several medicinal plants such as Peganum harmala. Harmalol hydrochloride, main metabolite of Harmaline, significantly inhibits the dioxin-mediated induction of CYP1A1 at the transcriptional and posttranslational levels. Harmalol hydrochloride possesses antioxidant and hydroxyl radical-scavenging properties[1]. Harmalol hydrochloride, a beta carboline alkaloid, presents in several medicinal plants such as Peganum harmala. Harmalol hydrochloride, main metabolite of Harmaline, significantly inhibits the dioxin-mediated induction of CYP1A1 at the transcriptional and posttranslational levels. Harmalol hydrochloride possesses antioxidant and hydroxyl radical-scavenging properties[1].
MSFXSDYNQKVMTJ-UHFFFAOYSA-N
5,7,8-Trimethoxycoumarin is a natural product found in Zanthoxylum beecheyanum, Zanthoxylum ailanthoides, and other organisms with data available.
K3JCS9D3KJ
6-Methylflavone is an activator of α1β2γ2L and α1β2 GABAA receptors. 6-Methylflavone is an activator of α1β2γ2L and α1β2 GABAA receptors.
carbamazepine
C15H12N2O (236.09495819999998)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D018692 - Antimanic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AF - Carboxamide derivatives D065693 - Cytochrome P-450 Enzyme Inducers > D065701 - Cytochrome P-450 CYP3A Inducers D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers D002491 - Central Nervous System Agents > D000700 - Analgesics D049990 - Membrane Transport Modulators Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3-(1-hydroxy-2-oxobutylidene)-6-[(E)-prop-1-enyl]pyran-2,4-dione
(7R,8S)-7,8-dihydroxy-3,7-dimethyl-6-oxo-8H-isochromene-5-carbaldehyde
ZILEUTON
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D020024 - Leukotriene Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Zileuton is a potent and selective inhibitor of 5-lipoxygenase with antiasthmatic properties.
Didanosine
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent Didanosine (2',3'-Dideoxyinosine; ddI) is a a potent and orally active dideoxynucleoside analogue, and also is a potent nucleoside reverse transcriptase inhibitor. Didanosine shows antiretroviral activity for HIV[1][2][3].
(7R,8S)-7,8-dihydroxy-3,7-dimethyl-6-oxo-8H-isochromene-5-carbaldehyde [IIN-based: Match]
6,7,8-trimethoxychromen-2-one [IIN-based: Match]
6,7,8-trimethoxychromen-2-one [IIN-based on: CCMSLIB00000845945]
1-{4-hydroxy-2-oxo-6-[(1E)-prop-1-en-1-yl]-2H-pyran-3-yl}butane-1,2-dione_major
Thiacetazone
C10H12N4OS (236.07317819999997)
J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent
Zyflo
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D020024 - Leukotriene Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Zileuton is a potent and selective inhibitor of 5-lipoxygenase with antiasthmatic properties.
S-aminomethyldihydrolipoamide
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Met-ser
A dipeptide composed of L-methionine and L-serine joined by a peptide linkage.
Ser-met
A dipeptide formed from L-serine and L-methionine residues.
(S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid
(E)-1-(4-hydroxy-2-oxo-6-(prop-1-en-1-yl)-2H-pyran-3-yl)butane-1,2-dione
(4-METHYL-BENZYL)-HYDRAZINEHYDROCHLORIDE
C15H12N2O (236.09495819999998)
(R)-2-Dimethylamino-1-phenylethylamine
C10H18Cl2N2 (236.08469680000002)
(4,4-DIFLUOROCYCLOHEXYL)ACETICACID
C12H16N2OS (236.09832859999997)
1,3-diisocyanato-2-methylbenzene,ethane-1,2-diol
C11H12N2O4 (236.07970319999998)
ETHYL 1-METHYL-5-THIEN-2-YL-1H-PYRAZOLE-3-CARBOXYLATE
1-Benzyl-1H-benzoimidazole-2-carbaldehyde
C15H12N2O (236.09495819999998)
6-Fluorospiro[4H-3,1-benzoxazine-4,4-piperidin]-2(1H)-one
dimethyl 5,5-difluorocyclohexane-1,3-dicarboxylate
2-P-TOLYLIMIDAZO[1,2-A]PYRIDINE-3-CARBALDEHYDE
C15H12N2O (236.09495819999998)
3-BENZYL-IMIDAZO[1,5-A]PYRIDINE-1-CARBALDEHYDE
C15H12N2O (236.09495819999998)
2-(2-Methoxyphenyl)-5-oxotetrahydrofuran-3-carboxylic acid
4-acetamido-3-(diaminomethylideneamino)benzoic acid
3-NITRO-2-PYRROLIDIN-1-YL-BENZOIC ACID
C11H12N2O4 (236.07970319999998)
2-(2,4-difluorobenzoyl)-3-(dimethylamino)acrylonitrile
Methyl 4-(cyclopropylamino)-3-nitrobenzoate
C11H12N2O4 (236.07970319999998)
(R)-4-(1-Aminobutyl)aniline dihydrochloride
C10H18Cl2N2 (236.08469680000002)
3-[(1S)-1-aminoethyl]-N,N-dimethylaniline,dihydrochloride
C10H18Cl2N2 (236.08469680000002)
(S)-4-(1-Aminobutyl)aniline dihydrochloride
C10H18Cl2N2 (236.08469680000002)
(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid ethyl ester
1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol
C10H11F3O3 (236.06602519999998)
3-(2-hydroxypropyl)-2-sulfanylidene-1H-quinazolin-4-one
[4-(2-Aminoethyl)phenyl]dimethylaminedihydrochloride
C10H18Cl2N2 (236.08469680000002)
3-[(1R)-1-aminoethyl]-N,N-dimethylaniline,dihydrochloride
C10H18Cl2N2 (236.08469680000002)
1-(3-fluorophenyl)-4-oxocyclohexanecarboxylic acid
4-(4-morpholino)-3-nitrobenzaldehyde
C11H12N2O4 (236.07970319999998)
(5,5-DIMETHYL-2-OXO-TETRAHYDRO-FURAN-3-YL)-ACETICACID
C12H16N2OS (236.09832859999997)
(5,6,7,8-TETRAHYDRO-NAPHTHALEN-1-YL)-HYDRAZINE
C12H16N2OS (236.09832859999997)
5-NITRO-2-(1-PYRROLIDINYL)BENZENECARBOXYLIC ACID
C11H12N2O4 (236.07970319999998)
1,4-Benzodioxin-2-carboxylic acid,2,3-dihydro-6-(2-oxopropyl)-
1-(3-NITROPHENYL)-1H-1,2,4-TRIAZOLE
C11H12N2O4 (236.07970319999998)
1,3-Dihydro-5-phenyl-1,4-benzodiazepin-2-one
C15H12N2O (236.09495819999998)
5-FLUORO-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
(3,4-DIMETHOXY-2-(TRIFLUOROMETHYL)PHENYL)METHANOL
C10H11F3O3 (236.06602519999998)
5,5-dimethyl-2-(2,2,2-trifluoroacetyl)cyclohexane-1,3-dione
C10H11F3O3 (236.06602519999998)
1-(4-FLUOROPHENYL)-4-OXOCYCLOHEXANECARBOXYLIC ACID
5-pyridin-2-yloxynaphthalen-2-amine
C15H12N2O (236.09495819999998)
Eflornithine hydrochloride
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D004791 - Enzyme Inhibitors > D065108 - Ornithine Decarboxylase Inhibitors C471 - Enzyme Inhibitor > C2088 - Ornithine Decarboxylase Inhibitor D000970 - Antineoplastic Agents
methyl 5,6-dimethoxy-1h-indazole-3-carboxylate
C11H12N2O4 (236.07970319999998)
3-(1-METHYL-1H-BENZOIMIDAZOL-2-YLSULFANYL)-PROPIONIC ACID
1-(2-METHOXYETHYL)-7-METHYL-1H-PYRIDO[2,3-D][1,3]OXAZINE-2,4-DIONE
C11H12N2O4 (236.07970319999998)
4-(P-TOLYL)-1,8-NAPHTHYRIDIN-2(1H)-ONE
C15H12N2O (236.09495819999998)
2-(CYCLOHEXYLTHIO)-PYRIDINE-4-CARBOXAMIDE
C12H16N2OS (236.09832859999997)
1-[4-(1H-BENZIMIDAZOL-1-YL)PHENYL]ETHANONE
C15H12N2O (236.09495819999998)
2-(3-methylphenyl)-4-pyridin-2-yl-1,3-oxazole
C15H12N2O (236.09495819999998)
N,N-Dimethyl-3,3-dithiodipropionamide
C8H16N2O2S2 (236.06531560000002)
5-Chloro-4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
(S)-Ethyl 2-(3-amino-2-oxopiperidin-1-yl)acetate hydrochloride
1(2H)-Pyridineaceticacid,3-cyano-4-(hydroxymethyl)-6-methyl-2-oxo-,hydrazide(9CI)
4-[(4-methoxybenzylidene)amino]benzonitrile
C15H12N2O (236.09495819999998)
2,3-DIHYDRO-5,6-DIMETHOXY-3-OXO-1H-INDENE-1-CARBOXYLIC ACID
2,5-Cyclohexadien-1-one,4-[(4-hydroxy-2-methylphenyl)imino]-, sodium salt (1:1)
4(3H)-Quinazolinone,2-methyl-3-phenyl-
C15H12N2O (236.09495819999998)
Ethanone, 2-(1H-benzimidazol-2-yl)-1-phenyl-
C15H12N2O (236.09495819999998)
3-Amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbohydrazide
C10H12N4OS (236.07317819999997)
4-Imidazolidinone,5-(1-hydroxyethyl)-3-phenyl-2-thioxo-
3-PHENYL-4,5,6,7-TETRAHYDRO-1,2,3-TRIAZOLO[1,5-A]PYRAZINE HYDROCHLORIDE
4-Phenyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
C15H12N2O (236.09495819999998)
1-(2-fluorophenyl)-4-oxocyclohexanecarboxylic acid
1,2-cyclohexanedione, mono[(4-chlorophenyl)hydrazone]
dimethyl 2-(phenylhydrazinylidene)propanedioate
C11H12N2O4 (236.07970319999998)
3-(1,3-Benzodioxol-5-yl)-2-methyl-2-oxiranecarboxylic acid methyl ester
[3-(3-Methoxy-4-nitro-1H-pyrazol-1-yl)propyl]amine hydrochloride
10-CHLORO-2,3,6,7-TETRAHYDRO-1H-PYRAZINO[2,1-A]ISOQUINOLIN-4(11BH)-ONE
pyridin-3-yl(quinolin-3-yl)methanol
C15H12N2O (236.09495819999998)
3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid ethyl ester
MORPHOLINO(2-NITROPHENYL)METHANONE
C11H12N2O4 (236.07970319999998)
Morpholino(3-nitrophenyl)methanone
C11H12N2O4 (236.07970319999998)
Methanone,4-morpholinyl(4-nitrophenyl)-
C11H12N2O4 (236.07970319999998)
1-(2-NITRO-BIPHENYL-4-YL)-ETHANONE
C11H12N2O4 (236.07970319999998)
1-(5-chloro-1-isopropyl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethanone
(2-CYANO-3-FLUORO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
1-(7-chloro-1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)ethanone
5-(azidomethyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one
C10H9FN4O2 (236.07095059999997)
N,N-DIETHYL-1,4-PHENYLENEDIAMINE DIHYDROCHLORIDE
C10H18Cl2N2 (236.08469680000002)
6,7,8-Trimethoxyquinazolin-4(3H)-one
C11H12N2O4 (236.07970319999998)
3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
2-Cyanoethyl diisopropylamidochlorophosphite
C9H18ClN2OP (236.08452179999998)
3-(3-HYDROXYPROPYL)-2-MERCAPTOQUINAZOLIN-4(3H)-ONE
ETHYL 1-METHYL-3-THIEN-2-YL-1H-PYRAZOLE-5-CARBOXYLATE
1-(4-NITRO-PHENYL)-AZETIDINE-3-CARBOXYLIC ACID METHYL ESTER
C11H12N2O4 (236.07970319999998)
Spiro(imidazo(1,2-a)pyridine-3(2H),2-(2H)inden)-2-one, 1,3-dihydro-
C15H12N2O (236.09495819999998)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor ZSET1446 is a novel cognitive enhancer that significantly improves learning deficits in various types of Alzheimer disease (AD) models.
2-(3-Amino-6-chloroquinolin-2-yl)propan-2-ol
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
9-[5-(Hydroxymethyl)tetrahydrofuran-2-yl]-9h-purin-6-ol
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors
Methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
3-(anilinomethylidene)-1H-indol-2-one
C15H12N2O (236.09495819999998)
2-Methyl-4-phenyl-5-(4-pyridyl)oxazole
C15H12N2O (236.09495819999998)
4,5-Diphenyl-1,5-dihydroimidazol-2-one
C15H12N2O (236.09495819999998)
ethyl 4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxylate
7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
6-Methyl-3-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one
C15H12N2O (236.09495819999998)
1-[4-hydroxy-2-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]butane-1,2-dione
Benzenepropanoic acid, alpha-oxo-, trimethylsilyl ester
Carbazochrome
B - Blood and blood forming organs > B02 - Antihemorrhagics > B02B - Vitamin k and other hemostatics D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics C78275 - Agent Affecting Blood or Body Fluid > C78311 - Hemostatic Agent Carbazochrome is a capillary stabiliser and used for the research of haemorrhage. Carbazochrome is an antihemorrhagic agent[1].
2-(dihydroxyamino)-3-(1H-indol-3-yl)propanoic acid
C11H12N2O4 (236.07970319999998)
(2S)-4-(2-Aminophenyl)-2-formamido-4-oxobutanoic acid
C11H12N2O4 (236.07970319999998)
2-Azaniumyl-4-(2-formamidophenyl)-4-oxobutanoate
C11H12N2O4 (236.07970319999998)
L-Homolanthionine
A sulfur-containing amino acid in which the gamma-carbon atoms of two molecules of L-aminobutyric acid are joined via a thioether linkage. It is a byproduct of cystathionine-gamma-lyase and a possible human hyperhomocysteinemia marker.
[1-(2-Amino-4-methylpentanamido)ethenyl]phosphonate
[(3S)-3-carboxy-3-(1-carboxyethylamino)propyl]-dimethylsulfanium
1-[[(2S)-2-amino-4-methylpentanoyl]amino]ethenylphosphonic acid
(R)-3,4-Dihydro-4,6,8-trihydroxy-4,5-dimethyl-3-methyleneisochromen-1-one
A natural product found in Leptosphaeria species.
(2R)-2-ammonio-4-(2-formamidophenyl)-4-oxobutanoate
C11H12N2O4 (236.07970319999998)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-(Ethylthio)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
(2Z)-2-[[(5-chloropyridin-2-yl)amino]methylidene]cyclohexan-1-one
(3Z,6E)-3,6-bis(methoxyimino)hexane-1,2,4,5-tetrol
C8H16N2O6 (236.10083160000002)
3-[[(methylsulfonyl)oxy]ethyl]-5,5-dimethyldihydro-2(3H)-furanone
Thiophene-2-carboxaldehyde, (4-amino-5-ethyl-1,2,4-triazol-3-yl)hydrazone
Fructosylglycinate
A glyco-amino-acid anion formed by loss of a proton from the carboxy group of fructosylglycine.
N,N-dihydroxytetrahomomethioninate
Conjugate base of N,N-dihydroxytetrahomomethionine.
2-Mercapto-4,6-dimethylnicotinonitrile, TMS derivative
Ethane, 1-vinylthio-2-[(trimethylsilyloxy)ethylthio]-
N-formyl-L-kynurenine zwitterion
C11H12N2O4 (236.07970319999998)
Zwitterionic form of N-formyl-L-kynurenine.
viridicatin(1-)
C15H10NO2 (236.07115000000002)
An organic anion that is the conjugate base of viridicatin resulting from the deprotonation of the 3-hydroxy group. Major microspecies at pH 7.3.
8-[(aminomethyl)sulfanyl]-6-sulfanyloctanamide
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
7,8-dihydroxy-3,7-dimethyl-6-oxo-7,8-dihydro-6H-isochromene-5-carbaldehyde
N-formyl-D-kynurenine zwitterion
C11H12N2O4 (236.07970319999998)
Zwitterionic form of N-formyl-D-kynurenine having an anionic carboxy group and a protonated amino group; major species at pH 7.3.
N-[(S)-lactoyl]-L-phenylalaninate
A N-acyl-L-alpha-amino acid anion that is the conjugate base of N-[(S)-lactoyl]-L-phenylalanine obtained from deprotonation of the carboxy group; major species at pH 7.3.
5-hydroxy-6,7-dimethoxy-2-methylchromone
A member of the class of chromones that is chromone substituted by a hydroxy group at position 5, a methyl group at position 2 and methoxy groups at positions 6 and 7 respectively. It has been isolated from Pisonia aculeata.
MFZ 10-7
MFZ 10-7 is a highly potent and selective mGluR5 NAM (negative allosteric modulator), with a Ki of 0.67 nM for rat mGluR5[1]. MFZ 10-7 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
(2z,6e)-1-chloro-3-(chloromethyl)-8-methoxy-7-methylocta-2,6-diene
methyl 2-(7-hydroxy-2-methyl-3-oxo-1-benzofuran-2-yl)acetate
2-[(2,3,5-trihydroxy-6-methyloxan-4-yl)oxy]propanoic acid
(2s)-2-{[(2s)-2-amino-1-hydroxy-4-(methylsulfanyl)butylidene]amino}-3-hydroxypropanoic acid
(3s,6z)-8-chloro-6-(chloromethyl)-3-methoxy-2-methylocta-1,6-diene
(3r,4r,5s,6r)-3,6-diamino-4,5-dihydroxyoctanedioic acid
C8H16N2O6 (236.10083160000002)
3-(6,7-dimethoxy-2h-1,3-benzodioxol-5-yl)prop-2-enal
(2s,3r)-3-hydroxy-2-methyl-7-[(1e)-prop-1-en-1-yl]-2h,3h-pyrano[4,3-b]pyran-4,5-dione
methyl (2e)-2-(2h-1,3-benzodioxol-5-yl)-3-methoxyprop-2-enoate
methyl (3r)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-carboxylate
(3ar,4r,5s,7ar)-4,5-dihydroxy-4-(3-methylbut-3-en-1-yn-1-yl)-5,7a-dihydro-3ah-1,3-benzodioxol-2-one
methyl 8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-carboxylate
2-hydroxy-3-[(1s,2s,3r,4r,5s)-1,2,3,4,5-pentahydroxy-2-methylcyclopentyl]propanal
3-hydroxy-4-[(2r)-2-methyl-5-oxooxolan-2-yl]benzoic acid
(2e)-3-(6,7-dimethoxy-2h-1,3-benzodioxol-4-yl)prop-2-enal
2-Methyl-5-carboxymethyl-7-hydroxychromanone
{"Ingredient_id": "HBIN005994","Ingredient_name": "2-Methyl-5-carboxymethyl-7-hydroxychromanone","Alias": "2-[(2S)-7-hydroxy-4-keto-2-methyl-chroman-5-yl]acetic acid; 2-[(2S)-7-hydroxy-2-methyl-4-oxo-chroman-5-yl]acetic acid; 2-[(2S)-7-hydroxy-2-methyl-4-oxo-chroman-5-yl]ethanoic acid; 2-methyl-5-carboxymethyl-7-hydroxychromanone; 2-[(2S)-7-hydroxy-2-methyl-4-oxochroman-5-yl]acetic acid; 2-[(2S)-7-hydroxy-2-methyl-4-oxo-5-chromanyl]acetic acid","Ingredient_formula": "C12H12O5","Ingredient_Smile": "CC1CC(=O)C2=C(O1)C=C(C=C2CC(=O)O)O","Ingredient_weight": "236.24","OB_score": "14.79619342","CAS_id": "NA","SymMap_id": "SMIT01034","TCMID_id": "25515","TCMSP_id": "MOL002234","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-methyl-5-carboxymethyl-7-hydroxy-chromanone
{"Ingredient_id": "HBIN005995","Ingredient_name": "2-methyl-5-carboxymethyl-7-hydroxy-chromanone","Alias": "NA","Ingredient_formula": "C12H12O5","Ingredient_Smile": "CC1CC(=O)C2=C(O1)C=C(C=C2CC(=O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14212","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6,7,8-trimethoxy-2h-1-benzopyran-2-one
{"Ingredient_id": "HBIN012049","Ingredient_name": "6,7,8-trimethoxy-2h-1-benzopyran-2-one","Alias": "NA","Ingredient_formula": "C12H12O5","Ingredient_Smile": "CC1=CC2=CC(=C(C(=C2C(=O)O1)O)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21877","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(4s)-4,8-dihydroxy-6-methoxy-4-methyl-3-methylidene-2-benzopyran-1-one
2-hydroxy-6-[(1s)-1-hydroxypropyl]-3-methylpteridin-4-one
8-hydroxy-2,2-dimethyl-4-oxo-3h-1-benzopyran-6-carboxylic acid
(2r,3r)-3-hydroxy-2-methyl-7-[(1e)-prop-1-en-1-yl]-2h,3h-pyrano[4,3-b]pyran-4,5-dione
6,8-dihydroxy-3-[(2r)-2-hydroxypropyl]isochromen-1-one
3-hydroxy-4-(2-methyl-5-oxooxolan-2-yl)benzoic acid
(3as,4r,5s,7ar)-4,5-dihydroxy-6-(3-methylbut-3-en-1-yn-1-yl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one
(2e,4e)-5-(4-methoxy-3-methyl-6-oxopyran-2-yl)penta-2,4-dienoic acid
(2r)-6-(2-chloroethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
methyl (2e)-3-(7-methoxy-2h-1,3-benzodioxol-5-yl)prop-2-enoate
methyl 2-[(2r)-7-hydroxy-2-methyl-3-oxo-1-benzofuran-2-yl]acetate
5-hydroxy-2-(hydroxymethyl)-7-methoxy-3-methylchromen-4-one
5-hydroxy-6-(hydroxymethyl)-7-methoxy-2-methylchromen-4-one
7-methoxy-11-methyl-3,5,12-trioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-trien-13-one
(2s)-2-amino-4-{2-[(hydroxymethylidene)amino]phenyl}-4-oxobutanoic acid
C11H12N2O4 (236.07970319999998)
methyl 3-(7-methoxy-2h-1,3-benzodioxol-5-yl)prop-2-enoate
3-hydroxy-4-[(2s)-2-methyl-5-oxooxolan-2-yl]benzoic acid
6,7-dihydroxy-3-[(2s)-2-hydroxypropyl]isochromen-1-one
2-hydroxy-3-(1,2,3,4,5-pentahydroxy-2-methylcyclopentyl)propanal
8-chloro-6-(chloromethyl)-3-methoxy-2-methylocta-1,6-diene
3,6-diamino-4,5-dihydroxyoctanedioic acid
C8H16N2O6 (236.10083160000002)
8-chloro-6-(chloromethyl)-1-methoxy-2-methylocta-2,6-diene
1,5-dihydroxy-3-methoxy-8-oxo-6,7-dihydro-5h-naphthalene-2-carbaldehyde
(2r)-2-hydroxy-2-[4-(methylsulfanyl)butyl]butanedioic acid
methyl 2-(2h-1,3-benzodioxol-5-yl)-3-methoxyprop-2-enoate
3-[(3s)-3,4-dihydroxy-3-methylbut-1-yn-1-yl]-4-hydroxybenzoic acid
2-hydroxy-6-(1-hydroxypropyl)-3-methylpteridin-4-one
(2s)-2-hydroxy-3-[(1s,2s,3r,4r,5s)-1,2,3,4,5-pentahydroxy-2-methylcyclopentyl]propanal
3-(6,7-dimethoxy-2h-1,3-benzodioxol-4-yl)prop-2-enal
3-(3,4-dihydroxy-3-methylbut-1-yn-1-yl)-4-hydroxybenzoic acid
5-hydroxy-2-(hydroxymethyl)-7-methoxy-6-methylchromen-4-one
4,5-dihydroxy-6-(3-methylbut-3-en-1-yn-1-yl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one
5-(4-methoxy-3-methyl-6-oxopyran-2-yl)penta-2,4-dienoic acid
2-ethyl-5-hydroxy-7-methoxy-1-benzofuran-6-carboxylic acid
6-hydroxy-4-(hydroxymethyl)-7-methoxy-2-methylcyclohepta[b]furan-5-one
8-hydroxy-3-(hydroxymethyl)-6-methoxy-4-methylisochromen-1-one
(2r)-2-{[(2r,3r,4r,5s,6s)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxy}propanoic acid
7,17-diazatetracyclo[8.7.0.0³,⁷.0¹¹,¹⁶]heptadeca-1(10),3,5,11,13,15-hexaen-2-one
C15H12N2O (236.09495819999998)
3-hydroxy-2-methyl-7-(prop-1-en-1-yl)-2h,3h-pyrano[4,3-b]pyran-4,5-dione
(7s,8r)-7,8-dihydroxy-3,7-dimethyl-6-oxo-8h-isochromene-5-carbaldehyde
4,7,8-trihydroxy-1h,3h,6h,7h,8h-naphtho[2,3-c]furan-5-one
(4r)-4,6,8-trihydroxy-4,5-dimethyl-3-methylidene-2-benzopyran-1-one
4,8-dihydroxy-6-methoxy-4-methyl-3-methylidene-2-benzopyran-1-one
(2e,4e)-2-ethyl-5-(4-methyl-2,5-dioxofuran-3-yl)penta-2,4-dienoic acid
2-ethyl-5-(4-methyl-2,5-dioxofuran-3-yl)penta-2,4-dienoic acid
(4e)-2-ethyl-5-(4-methyl-2,5-dioxofuran-3-yl)penta-2,4-dienoic acid
(7r,8s)-4,7,8-trihydroxy-1h,3h,6h,7h,8h-naphtho[2,3-c]furan-5-one
(2s)-2-{[(2s)-2-amino-1,3-dihydroxypropylidene]amino}-4-(methylsulfanyl)butanoic acid
5-hydroxy-3-(hydroxymethyl)-7-methoxy-2-methylchromen-4-one
2-[(1-{[hydroxy(methoxy)methylidene]amino}ethylidene)amino]benzoic acid
C11H12N2O4 (236.07970319999998)