Exact Mass: 250.056524
Exact Mass Matches: 250.056524
Found 500 metabolites which its exact mass value is equals to given mass value 250.056524,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Sulfadiazine
Sulfadiazine is only found in individuals that have used or taken this drug. It is one of the short-acting sulfonamides used in combination with pyrimethamine to treat toxoplasmosis in patients with acquired immunodeficiency syndrome and in newborns with congenital infections. [PubChem]Sulfadiazine is a competitive inhibitor of the bacterial enzyme dihydropteroate synthetase. This enzyme is needed for the proper processing of para-aminobenzoic acid (PABA) which is essential for folic acid synthesis. The inhibited reaction is necessary in these organisms for the synthesis of folic acid. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EC - Intermediate-acting sulfonamides D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BA - Sulfonamides Antibacterial agent. It is used in some countries for control of bacterial disease in farmed fish. Not approved for aquacultural use in the USA D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; EAWAG_UCHEM_ID 179 CONFIDENCE standard compound; INTERNAL_ID 1011
Citrinin
Citrinin is a mycotoxin originally isolated from Penicillium citrinum. It has since been found to be produced by a variety of other fungi which are found or used in the production of human foods, such as grain, cheese, sake and red pigments. Citrinin has also been found in commercial red yeast rice supplements, and also in Aspergillus niveus and Aspergillus terreus (Hugo Vanden Bossche, D.W.R. Mackenzie and G. Cauwenbergh. Aspergillus and Aspergillosis, 1987). D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins Citrinin is a mycotoxin which causes contamination in the food and is associated with different toxic effects. Citrinin is usually found together with another nephrotoxic mycotoxin, Ochratoxin A. Citrinin is also reported to possess a broad spectrum of bioactivities, including antibacterial, antifungal, and potential anticancer and neuro-protective effects in vitro[1][2].
4,4'-Diphenylmethane diisocyanate
C15H10N2O2 (250.07422400000002)
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Bisphenol S
CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7059; ORIGINAL_PRECURSOR_SCAN_NO 7056 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3374; ORIGINAL_PRECURSOR_SCAN_NO 3371 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3401; ORIGINAL_PRECURSOR_SCAN_NO 3398 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3420; ORIGINAL_PRECURSOR_SCAN_NO 3416 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7124; ORIGINAL_PRECURSOR_SCAN_NO 7120 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3421; ORIGINAL_PRECURSOR_SCAN_NO 3419 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7099; ORIGINAL_PRECURSOR_SCAN_NO 7095 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3383; ORIGINAL_PRECURSOR_SCAN_NO 3380 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7143; ORIGINAL_PRECURSOR_SCAN_NO 7141 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7085; ORIGINAL_PRECURSOR_SCAN_NO 7082 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7120; ORIGINAL_PRECURSOR_SCAN_NO 7116 CONFIDENCE standard compound; INTERNAL_ID 551; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3402; ORIGINAL_PRECURSOR_SCAN_NO 3400 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1086 CONFIDENCE standard compound; INTERNAL_ID 4240 CONFIDENCE standard compound; INTERNAL_ID 8644 CONFIDENCE standard compound; INTERNAL_ID 2370
Diflunisal
Diflunisal, a salicylate derivative, is a nonsteroidal anti-inflammatory agent (NSAIA) with pharmacologic actions similar to other prototypical NSAIAs. Diflunisal possesses anti-inflammatory, analgesic and antipyretic activity. Though its mechanism of action has not been clearly established, most of its actions appear to be associated with inhibition of prostaglandin synthesis via the arachidonic acid pathway. Diflunisal is used to relieve pain accompanied with inflammation and in the symptomatic treatment of rheumatoid arthritis and osteoarthritis. N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BA - Salicylic acid and derivatives D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D004791 - Enzyme Inhibitors KEIO_ID D058
gamma-Glutamylcysteine
gamma-Glutamylcysteine is a dipeptide composed of gamma-glutamate and cysteine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamylcysteine 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. gamma-Glutamylcysteine is a product of enzyme glutamate-cysteine ligase [EC 6.3.2.2] and a substrate of enzyme glutathione synthase [EC 6.3.2.3] in the glutamate metabolism pathway (KEGG). G-Glutamylcysteine is a product of enzyme glutamate-cysteine ligase [EC 6.3.2.2] and a substrate of enzyme glutathione synthase [EC 6.3.2.3] in glutamate metabolism pathway (KEGG). gamma-Glutamyl-cysteine is found in many foods, some of which are cardamom, hyacinth bean, oil palm, and pak choy. Acquisition and generation of the data is financially supported in part by CREST/JST. Gamma-glutamylcysteine (γ-Glutamylcysteine), a dipeptide containing cysteine and glutamic acid, is a precursor to glutathione (GSH). Gamma-glutamylcysteine is a cofactor for glutathione peroxidase (GPx) to increase GSH levels[1].
2-Hydroxy-6-oxo-6-(2-hydroxyphenoxy)-hexa-2,4-dienoate
5-Methoxycanthin-6-one
C15H10N2O2 (250.07422400000002)
5-Methoxycanthin-6-one is an alkaloid and an organic heterotetracyclic compound. 5-Methoxycanthin-6-one is a natural product found in Zanthoxylum caribaeum, Fagaropsis angolensis, and other organisms with data available. 5-Methoxycanthin-6-one is an alkaloid from the wood of Picrasma excelsa (Jamaican quassiawood
2-[(5-Methylsulfinyl)-4-penten-2-ynylidene]-1,6-dioxaspiro[4.4]non-3-ene
(7Z,11E)-2-(5-Methylsulfinyl-2-pentyn-4-enylidene)-1,6-dioxaspiro[4.4]non-3-ene is found in herbs and spices. (7Z,11E)-2-(5-Methylsulfinyl-2-pentyn-4-enylidene)-1,6-dioxaspiro[4.4]non-3-ene is isolated from Chrysanthemum coronarium (chop-suey greens
Methoxybrassitin
Isolated from Chinese cabbage (Brassica campestris sspecies pekinensis, Cruciferae) inoculated with the bacterium Pseudomonas cichorii. Methoxybrassitin is found in cauliflower, chinese cabbage, and brassicas. Methoxybrassitin is found in brassicas. Methoxybrassitin is isolated from Chinese cabbage (Brassica campestris ssp. pekinensis, Cruciferae) inoculated with the bacterium Pseudomonas cichorii.
(E)-2-Propenyl [3-(2-propenylthio)-2-propenyl] sulfate
(E)-2-Propenyl [3-(2-propenylthio)-2-propenyl] sulfate is found in onion-family vegetables. (E)-2-Propenyl [3-(2-propenylthio)-2-propenyl] sulfate is a constituent of garlic (Allium sativum). Constituent of garlic (Allium sativum). (E)-2-Propenyl [3-(2-propenylthio)-2-propenyl] sulfate is found in garlic and onion-family vegetables.
2-Methoxycanthin-6-one
C15H10N2O2 (250.07422400000002)
2-Methoxycanthin-6-one is an alkaloid from stem wood of Quassia amara (Surinam quassia).
Cysteinyl-Glutamate
Cysteinyl-Glutamate is a dipeptide composed of cysteine and glutamate. 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.
Glutamylcysteine
Glutamylcysteine is a dipeptide composed of glutamate and cysteine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylcysteine 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.
Samin
Samin is found in fats and oils. Samin is isolated from sesame seed oil (Sesamum sp.) Samin [ samin] is a village in the administrative district of Gmina Bartniczka, within Brodnica County, Kuyavian-Pomeranian Voivodeship, in north-central Poland. Isolated from sesame seed oil (Sesamum species)
(2R,4S)-6-Fluoro-2-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
Diphenylmethane-2,2'-diisocyanate
C15H10N2O2 (250.07422400000002)
Tris(2-carboxyethyl)phosphine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
6-Anilino-5,8-quinolinedione
C15H10N2O2 (250.07422400000002)
D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
8-Hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid
Dansylamide
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003619 - Dansyl Compounds D004396 - Coloring Agents > D005456 - Fluorescent Dyes
Benzene, 1,1'-ethylidenebis(4-chloro-
[Diisocyanato(phenyl)methyl]benzene
C15H10N2O2 (250.07422400000002)
(4S)-4-Amino-5-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-5-oxopentanoic acid
(2S)-2-Amino-5-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-5-oxopentanoic acid
N-gamma-Glutamylcysteine
gamma-L-Glutamyl-L-cysteine (also known as gamma-glutamylcysteine) is a precursor of glutathione. It is formed by glutamate‚Äîcysteine ligase and used by glutathione synthetase to form glutathione . N-gamma-glutamylcysteine is a member of the class of compounds known as dipeptides. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. N-gamma-glutamylcysteine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). N-gamma-glutamylcysteine can be found in garden onion, which makes N-gamma-glutamylcysteine a potential biomarker for the consumption of this food product. γ-L-Glutamyl-L-cysteine (also known as γ-glutamylcysteine) is a precursor of glutathione. It is formed by glutamate—cysteine ligase and used by glutathione synthetase to form glutathione . N-gamma-glutamylcysteine is a member of the class of compounds known as dipeptides. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. N-gamma-glutamylcysteine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). N-gamma-glutamylcysteine can be found in garden onion, which makes N-gamma-glutamylcysteine a potential biomarker for the consumption of this food product. Gamma-glutamylcysteine (γ-Glutamylcysteine), a dipeptide containing cysteine and glutamic acid, is a precursor to glutathione (GSH). Gamma-glutamylcysteine is a cofactor for glutathione peroxidase (GPx) to increase GSH levels[1].
Aureoquinone
A naphthoquinone that is 1,4-naphthoquinone substituted by hydroxy groups at positions 2, 5, 7,and 8 and methyl groups at positions 3 and 6. It is isolated from surface cultures of Aureobasidium and acts as a protease inhibitor.
4,6-dihydroxy-3-methylidene-10-prop-1-enyl-2-oxaspiro[4.5]dec-8-ene-1,7-dione
9-Methoxycanthin-6-one
C15H10N2O2 (250.07422400000002)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams 9-Methoxycanthin-6-one, a canthin-6-one alkaloid, is present in intact plant parts and in callus tissues of different explants. 9-Methoxycanthin-6-one shows anti-tumor activity[1][2]. 9-Methoxycanthin-6-one, a canthin-6-one alkaloid, is present in intact plant parts and in callus tissues of different explants. 9-Methoxycanthin-6-one shows anti-tumor activity[1][2].
2-methoxycanthin-6-one
C15H10N2O2 (250.07422400000002)
4-methyl-3-[(2-nitrobenzyl)thio]-4H-1,2,4-triazole
2-Mercapto-3-(3-methoxy-propyl)-3H-quinazolin-4-one
1,4,5,8-tetrahydroxy-3-ethylnaphthalene-2,6-dione|3-Ethyl-1,4,5,8-Tetrahydroxy-2,6-naphthoquinone
1,4-Benzodioxin-2(3H)-one, 6,8-dimethoxy-3-(1-methylethylidene)-
(E)-3-(4-acetyloxy-3,5-dimethoxyphenyl)-2-propenal|4-acetoxy-3,5-dimethoxy-trans-cinnamaldehyde|4-Acetoxy-3,5-dimethoxy-trans-zimtaldehyd
2-(3,5-Dihydroxy-6-acetyl-2,3-dihydrobenzofuran-3-yl)allyl alcohol
Di-Me ester-3-(4-Hydroxyphenyl)-2-pentenediolic acid
6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 10-methoxy-
C15H10N2O2 (250.07422400000002)
Drymaritin
C15H10N2O2 (250.07422400000002)
An indole alkaloid that is canthin-6-one substituted by a methoxy group at position 4. Isolated from the whole plants of Drymaria diandra, it exhibits anti-HIV activity.
3-(2-Hydroxypropyl)-8-hydroxy-6-methoxy-2H-1-benzopyran-2-one
5-hydroxymethyl-7-hydroxy-2,2-dimethyl-2H-1-chromene-6-carboxylic acid|5-Methanol-7-hydroxy-2,2-dimethyl-2H-1-chromene-6-carboxylic acid
4-(4-hydroxy-3-methoxyphenyl)-tetrahydro-3H-furo[3,4-c]furan-1-one
2,5,6,7-tetrahydroxy-3-ethyl-1,4-naphthoquinone|3-Aethyl-2,5,6,7-tetrahydroxy-[1,4]naphthochinon|3-ethyl-2,5,6,7-tetrahydroxy-[1,4]naphthoquinone
5,7-Dihydroxy-6-(hydroxymethyl)-2-methoxy-1,4-naphthoquinone
4-Methyl-9H-furo[2,3:7,8]naphtho[2,1-b]pyran-9-one
6-Aethyl-2,3,7-trihydroxy-juglon|6-Ethyl-2,3,7-trihydroxy-juglon
globosumone A
A benzoate ester obtained by the formal condensation of o-orsellinic acid with (3E)-1-hydroxypent-3-en-2-one. Isolated from Chaetomium globosum, it exhibits cytotoxic activity towards cancer cell lines.
5,6-dimethoxy-7,8-methylenedioxycoumarin|Isosabandin|Sabandin
3-acetyl-2-methyl-1,4,5-trihydroxy-2,5-epoxynaphthoquinol
6-ethyl-2,3,5,8-tetrahydroxy-1,4-naphthoquinone|ethylspinazarin
8-hydroxy-7-(4-hydroxy-3-methylbutoxy)-2H-chromen-2-one|isoarmenin
(E)-6-(2,4-dihydroxyl-5-methylphenyl)-6-oxo-2-hexenoic acid
3,4-dihydro-6,8-dimethoxy-4-hydroxy-4-methyl-3-methyleneisochromen-1-one
2,6-Dihydroxy-4,5-dimethyl-3-(3-oxo-1-butenyl) benzoic acid
3,5,8-Trihydroxy-2-methoxy-6-methyl-naphtho-1,4-chinon|3,5,8-Trihydroxy-2-methoxy-6-methyl-[1,4]naphthochinon|3,5,8-trihydroxy-2-methoxy-6-methyl-[1,4]naphthoquinone|Nepenthone D|nepenthone-D
4,6-O-(1-carboxyethylidene)-D-galactose|4,6-O-(1-carboxyethylidene)galactose
7-acetyl-2,3,6-trihydroxy-2-methyl-3,4-dihydronaphthalen-1(2H)-one|monaspurpurone
1-Methoxycanthinone
C15H10N2O2 (250.07422400000002)
An indole alkaloid that is the 1-methoxy derivative of canthinone. Isolated from Ailanthus altissima and Leitneria floridana, it exhibits anti-HIV activity.
(3R,4R)-4-acetyl-3,6,8-trihydroxy-3-methyl-2,4-dihydronaphthalen-1-one
9-(2-Hydroxyethoxy)-6H-1,3-dioxolo[4,5-g][1]benzopyran-6-one
(2S)-7-Hydroxy-5-hydroxymethyl-2-(2-hydroxypropyl) chromone|(2S)-7-hydroxy-5-hydroxymethyl-2-(2-hydroxypropyl)chromone
8-Methoxycanthin-6-one
C15H10N2O2 (250.07422400000002)
9-methoxycanthin-6-one is an indole alkaloid that is the 9-methoxy derivative of canthin-6-one. Isolated from Eurycoma longifolia and Simaba multiflora, it exhibits cytotoxic activity towards human cancer cell lines. It has a role as a metabolite, an antineoplastic agent and an antiplasmodial drug. It is an indole alkaloid, an aromatic ether and an organic heterotetracyclic compound. It is functionally related to a canthin-6-one. 9-Methoxycanthin-6-one is a natural product found in Simarouba glauca, Eurycoma longifolia, and other organisms with data available. An indole alkaloid that is the 9-methoxy derivative of canthin-6-one. Isolated from Eurycoma longifolia and Simaba multiflora, it exhibits cytotoxic activity towards human cancer cell lines. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams 9-Methoxycanthin-6-one, a canthin-6-one alkaloid, is present in intact plant parts and in callus tissues of different explants. 9-Methoxycanthin-6-one shows anti-tumor activity[1][2]. 9-Methoxycanthin-6-one, a canthin-6-one alkaloid, is present in intact plant parts and in callus tissues of different explants. 9-Methoxycanthin-6-one shows anti-tumor activity[1][2].
Citrinin
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 11 D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Citrinin is a mycotoxin which causes contamination in the food and is associated with different toxic effects. Citrinin is usually found together with another nephrotoxic mycotoxin, Ochratoxin A. Citrinin is also reported to possess a broad spectrum of bioactivities, including antibacterial, antifungal, and potential anticancer and neuro-protective effects in vitro[1][2].
Citrinin_120248
Citrinin is a mycotoxin which causes contamination in the food and is associated with different toxic effects. Citrinin is usually found together with another nephrotoxic mycotoxin, Ochratoxin A. Citrinin is also reported to possess a broad spectrum of bioactivities, including antibacterial, antifungal, and potential anticancer and neuro-protective effects in vitro[1][2].
gamma-Glu-cys
Gamma-glutamylcysteine (γ-Glutamylcysteine), a dipeptide containing cysteine and glutamic acid, is a precursor to glutathione (GSH). Gamma-glutamylcysteine is a cofactor for glutathione peroxidase (GPx) to increase GSH levels[1].
8-hydroxy-3-(2-hydroxypropyl)-6-methoxychromen-2-one
2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one
8-hydroxy-3-[(2S)-2-hydroxypropyl]-6-methoxyisochromen-1-one
Diphenylphosphate
CONFIDENCE standard compound; INTERNAL_ID 2301 INTERNAL_ID 2301; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 8815
Gamma-glutamylcysteine
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; RITKHVBHSGLULN_STSL_0116_5-Glutamylcysteine_8000fmol_180506_S2_LC02_MS02_219; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. Gamma-glutamylcysteine (γ-Glutamylcysteine), a dipeptide containing cysteine and glutamic acid, is a precursor to glutathione (GSH). Gamma-glutamylcysteine is a cofactor for glutathione peroxidase (GPx) to increase GSH levels[1].
13-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one
C15H10N2O2 (250.07422400000002)
diflunisal
N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BA - Salicylic acid and derivatives D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D004791 - Enzyme Inhibitors
2-(1,2-dihydroxy-2-phenylethyl)-3-hydroxy-2,3-dihydropyran-6-one [IIN-based: Match]
2H-1-Benzopyran-6-acetic acid, 7-hydroxy-8-methoxy-2-oxo-
3-Quinolinecarboxylic acid, 7-amino-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-
LY83583
C15H10N2O2 (250.07422400000002)
D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
5-Methoxycanthin-6-one
C15H10N2O2 (250.07422400000002)
2-[(5-Methylsulfinyl)-4-penten-2-ynylidene]-1,6-dioxaspiro[4.4]non-3-ene
(E)-2-Propenyl [3-(2-propenylthio)-2-propenyl] sulfate
4-(CHLOROMETHYL)-N-(5-METHYLISOXAZOL-3-YL)BENZAMIDE
4-(trans)-Acetyl-3,6,8-trihydroxy-3-methyldihydronaphthalenone
Piperidin-4-yl-pyrimidin-2-yl-amine dihydrochloride
5-phenyl-3-propan-2-yl-1,3,5-thiadiazinane-2,4-dione
(3-(CYCLOPROPYLCARBAMOYL)-5-NITROPHENYL)BORONIC ACID
C10H11BN2O5 (250.07609860000002)
[2-(3-METHYL-4-NITRO-PHENYL)-THIAZOL-4-YL]-METHANOL
Ozagrel sodium
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors
2-PHENYL-1,6-NAPHTHYRIDINE-3-CARBOXYLICACID
C15H10N2O2 (250.07422400000002)
Benzoic acid, 2-(1,8-naphthyridin-2-yl)- (9CI)
C15H10N2O2 (250.07422400000002)
4-(6-chloropyrido[3,2-d]pyrimidin-4-yl)morpholine
C11H11ClN4O (250.06213459999998)
N-(3-amino-2,4-difluorophenyl)propane-1-sulfonamide
4-pyridin-3-yloxypyridine-2-carboximidamide,hydrochloride
C11H11ClN4O (250.06213459999998)
2,2,5,7-TETRAMETHYL-1-OXOINDANE-4-CARBONYL CHLORIDE
4-(Pyridin-2-yl)piperidin-4-ol dihydrochloride
C10H16Cl2N2O (250.06396259999997)
2-Propenoic acid, 3-(2,1,3-benzothiadiazol-5-yl)-3-hydroxy-, ethyl ester
2-(Trifluoromethyl)-[1,1-Biphenyl]-3-Carboxaldehyde
1-(4-CHLORO-PHENYL)-4,5-DIHYDRO-1H-PYRAZOL-3-YLAMINE
C11H11ClN4O (250.06213459999998)
4-(Piperidin-4-yloxy)pyridine dihydrochloride
C10H16Cl2N2O (250.06396259999997)
3-CHLORO-4-FLUORO-3-METHYLBENZHYDROL
C14H12ClFO (250.05606639999996)
4-(3,4-dihydro-2h-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid
(4-((4,5-Dihydrothiazol-2-yl)carbamoyl)phenyl)boronic acid
3-(3-Methyl-4-oxo-thiazolidin-2-ylideneamino)-benzoic acid
sodium,(E)-but-2-ene-1,4-diol,hydrogen sulfite,2-methyloxirane
2-Pyridin-2-yl-quinoline-4-carboxylic acid
C15H10N2O2 (250.07422400000002)
METHYL 1,2,3,4-TETRAHYDRO-7-NITRO-2-OXOQUINOLINE-3-CARBOXYLATE
5-CHLORO-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLICACIDETHYLESTER
Ethyl 3-(4-Chlorophenyl)-1H-Pyrazole-5-Carboxylate
4-(Methylamino)-1-(3-pyridyl)-1-butanone Dihydrochloride
C10H16Cl2N2O (250.06396259999997)
3-[(2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOL-3-YL)METHYL]BENZONITRILE
C15H10N2O2 (250.07422400000002)
(3-((4,5-Dihydrothiazol-2-yl)carbamoyl)phenyl)boronic acid
3-[2-Oxo-3-(trifluoromethyl)pyridin-1(2H)-yl]propanethioamide
C9H9F3N2OS (250.03876599999998)
2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]acetic acid
methyl 5-(4-chloro-3-methyl-phenyl)-1H-pyrazole-3-carboxylate
Ethyl 2-[(dimethylamino)methyl]-1,3-thiazole-4-carboxylate hydroc hloride (1:1)
2-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]acetic acid
3-Phenylquinoxaline-5-carboxylic acid
C15H10N2O2 (250.07422400000002)
2-phenylquinoxaline-5-carboxylic acid
C15H10N2O2 (250.07422400000002)
2-Phenylquinoxaline-6-carboxylic acid
C15H10N2O2 (250.07422400000002)
2-((2-Nitro-4-(trifluoromethyl)phenyl)amino)ethanol
5-CHLORO-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLICACIDETHYLESTER
5-Mercapto-1-[3-(3-methylureido) phenyl]-1,2,3,4-tetrazole
2-PYRIDIN-3-YL-QUINOLINE-4-CARBOXYLIC ACID
C15H10N2O2 (250.07422400000002)
2-chloro-4-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine
C13H12ClFN2 (250.06729939999997)
(2R,3S)-1-CARBOXY-4-TERT-BUTYL-2,3-DIHYDROXYCYCLOHEXA-4,6-DIENE, POTASSIUM SALT
4-Chloro-6-ethoxy-7-fluoro-3-quinolinecarbonitrile
1-((Z)-3-Chloroallyl)-1,3,5,7-tetraazaadamantan-1-ium chloride
(1,3,5,7,9,11,13,15-OCTAKIS(DIMETHYLSILYLOXY)PENTACYCLO[9.5.1.1(3,9).1(5,15).1(7,13)]OCTASILOXANE
1-(3-CHLOROALLYL)-3,5,7-TRIAZA-1-AZONIAADAMANTANE CHLORIDE
((1R,4S)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride
6-chloro-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
C11H11ClN4O (250.06213459999998)
2-(4-OXO-4,5,6,7-TETRAHYDRO-3H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-3-YL)ACETIC ACID
2-Bromodecanoic acid
A bromo fatty acid that is decanoic acid carrying a single bromo substituent at position 2.
4-Oxo-3-phenyl-2-thioxoimidazolidine-1-acetic acid
o-(p-Isocyanatobenzyl)phenyl isocyanate
C15H10N2O2 (250.07422400000002)
Tetrakis(hydroxymethyl)phosphonium chloride urea polymer
C5H16ClN2O5P (250.04853260000002)
3-phenylcinnoline-4-carboxylic acid
C15H10N2O2 (250.07422400000002)
1-(4-METHOXYPHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBONYL CHLORIDE
sodium,5-butan-2-yl-5-ethyl-4,6-dioxo-1H-pyrimidine-2-thiolate
(3-ETHOXY-5-(TRIFLUOROMETHOXY)PHENYL)BORONIC ACID
C9H10BF3O4 (250.06242060000002)
5-(4-CHLOROPHENOXY)-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBALDEHYDE
[1-(4-Fluorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]acetic acid
TERT-BUTYL (4-(DIFLUOROMETHYL)THIAZOL-2-YL)CARBAMATE
2-phenyl-1,6-naphthyridine-4-carboxylic acid
C15H10N2O2 (250.07422400000002)
2-Methoxymethoxy-5-(trifluoromethyl)phenylboronic acid
C9H10BF3O4 (250.06242060000002)
2-(Trimethylsilyl)benzo[b]thiophen-7-ylboronic acid
C11H15BO2SSi (250.06550400000003)
1,8-Naphthyridine-4-carboxylic acid, 2-phenyl-
C15H10N2O2 (250.07422400000002)
1-(2-Chlorophenyl)piperazine Monohydrochloride Monohydrate
C10H16Cl2N2O (250.06396259999997)
Pyridine, 3-chloro-2-(1-pyrrolidinyl)-5-(trifluoromethyl)-
2-(1,6-NAPHTHYRIDIN-2-YL)BENZOIC ACID
C15H10N2O2 (250.07422400000002)
BICYCLO[2.2.1]HEPTANE-1-METHANESULFONYL CHLORIDE, 7,7-DIMETHYL-2-OXO-
4(1H)-Pyridazinone, 1-(3-chlorophenyl)-3-methoxy-6-methyl-
5-[amino(methyl)amino]-4-chloro-2-phenylpyridazin-3-one
C11H11ClN4O (250.06213459999998)
2-(4-Piperidyloxy)pyridine Dihydrochloride
C10H16Cl2N2O (250.06396259999997)
4-(cis)-Acetyl-3,6,8-trihydroxy-3-methyldihydronaphthalenone
4-THIOMORPHOLINEETHYLAMINE 1,1-DIOXIDE DIHYDROCHLORIDE
3-METHYL-4-OXO-4,5,6,7-TETRAHYDRO-BENZOFURAN-2-CARBOXYLIC ACID
3-(5-Amino-1-pentanoyl)pyridine dihydrochloride
C10H16Cl2N2O (250.06396259999997)
6-chloro-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
C11H11ClN4O (250.06213459999998)
1H-Indene-1,3(2H)-dione,2-[(4-hydroxyphenyl)methylene]-
2-(4-Pyridinyl)-4-quinolinecarboxylic acid
C15H10N2O2 (250.07422400000002)
Methyl 4-(2-aminoanilino)-2,5-dihydrothiophene-3-carboxylate
4-((4-METHOXYBENZYL)OXY)-2-METHYLENE-4-OXOBUTANOIC ACID
Polymethylene polyphenyl polyisocyanate
C15H10N2O2 (250.07422400000002)
SDZ EAA 494
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists
Spiro(4H-1-benzopyran-4,4-imidazolidine)-2,5-dione, 6-fluoro-2,3-dihydro-2-methyl-
D004791 - Enzyme Inhibitors
1H,3H-Furo[3,4-c]furan-1-ol, 4-(1,3-benzodioxol-5-yl)tetrahydro-
Midafotel
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
1-(4-Fluoro-phenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid ethyl ester
(3S,4R)-8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid
2-[(3-Fluorophenyl)methylthio]pyrimidine-4,6-diamine
Phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
C15H10N2O2 (250.07422400000002)
(4AR,6R,7S,8R,8AS)-Hexahydro-6,7,8-trihydroxy-2-methylpyrano[3,2-D][1,3]dioxine-2-carboxylic acid
4-Amino-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid
(2E,5E)-6-(3,4-dihydroxyphenyl)-2-hydroxy-4-oxohexa-2,5-dienoic acid
(4aR,6R,7S,8R,8aS)-6,7,8-trihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
(2Z,4E)-6-(2,3-dihydroxyphenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid
(2S)-2-Amino-5-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-5-oxopentanoic acid
(4S)-4-Amino-5-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-5-oxopentanoic acid
4-Amino-5-(2-amino-3-hydroxypropanoyl)peroxy-5-oxopentanoic acid
9-Methoxyeupolauridine 1-Oxide
C15H10N2O2 (250.07422400000002)
A natural product found in Ambavia gerrardii.
(r)-3,4-Dihydro-4,8-dihydroxy-6-methoxy-4,5-dimethyl-3-methyleneisochromen-1-one
A natural product found in Leptosphaeria species and Halorosellinia oceanica.
5-[(4-Hydroxy-3-methoxyphenyl)methylene]-2-imino-1,3-thiazolidin-4-one
6-Quinoxalinecarboxylic acid phenyl ester
C15H10N2O2 (250.07422400000002)
N-(5-chloro-2-pyridinyl)-2-ethyl-3-pyrazolecarboxamide
C11H11ClN4O (250.06213459999998)
(R)-3-Acetyl-7-hydroxy-5-methoxy-3,4-dimethylisobenzofuran-1(3H)-one
A natural product found in Leptosphaeria species and Halorosellinia oceanica.
5-[(4-chlorophenyl)methylamino]-6-methyl-2H-1,2,4-triazin-3-one
C11H11ClN4O (250.06213459999998)
(3aR,4S,6aR)-4-(4-hydroxy-3-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-one
7-hydroxy-3-(2-hydroxypropyl)-7-methyl-6H-2-benzopyran-6,8(7H)-dione
N-(4-fluorophenyl)-6-methyl-2,5-dihydropyrazolo[1,5-b][1,2,4]thiadiazol-2-amine
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide
[4-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-(2-oxiranyl)methanone
(Z)-3-(5-butylthiophen-2-yl)-2-cyanoprop-2-enethioamide
N-acetyl-S-(3-amino-2-hydroxy-3-oxopropyl)-D-cysteine
4-(2,5-Dihydroxy-3,4,6-trimethylphenyl)-3-oxo-2-butenic acid
4,4-Diphenylmethane diisocyanate
C15H10N2O2 (250.07422400000002)
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
sulfadiazine
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EC - Intermediate-acting sulfonamides D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BA - Sulfonamides D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents A sulfonamide consisting of pyrimidine with a 4-aminobenzenesulfonamido group at the 2-position. C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
2-Hydroxy-6-(2-hydroxyphenoxy)-6-oxo-cis,cis-hexa-2,4-dienoic acid
Bisphenol S
A sulfone that is diphenyl sulfone in which both of the para hydrogens have been replaced by hydroxy groups.
Tris(2-carboxyethyl)phosphine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
2-amino-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid
salicifoliol
A lignan that is tetrahydro-1H,3H-furo[3,4-c]furan-1-one carrying a 4-hydroxy-3-methoxyphenyl substituent at position 4.
azanigerone E
An azaphilone that is 6H-2-benzopyran-6,8(7H)-dione carrying a 2-hydroxypropyl sunstyituent at position 3 as well as methyl and hydroxy substituents at position 7.
L-gamma-Glutamyl-L-cysteine
A molecular entity formed when L-cysteine amino group binds to the gamma-carbonyl of L-glutamic acid.
Antimalarial agent 14
Antimalarial agent 14 (Compound N3) is a potent inhibitor of mitochondrial electron transport. Antimalarial agent 14 can serve as an anti-malarial agent[1].
6,8-dihydroxy-3-[(2s)-2-hydroxypropyl]-7-methylisochromen-1-one
5-hydroxy-7-(hydroxymethyl)-2,2-dimethylchromene-6-carboxylic acid
9-(2-hydroxyethoxy)-2h-[1,3]dioxolo[4,5-g]chromen-6-one
(4s)-8-hydroxy-5-(hydroxymethyl)-6-methoxy-4-methyl-3-methylidene-4h-2-benzopyran-1-one
8-hydroxy-4-(2-hydroxyacetyl)-6-methoxyisochromen-1-one
(1s,4s,6s,8s,10s,11e,14s)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one
2,6-dimethoxy-4-[(1e)-3-oxoprop-1-en-1-yl]phenyl acetate
(2s,4ar,6r,7r,8r,8ar)-6,7,8-trihydroxy-2-methyl-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
(3s,5s,6r,10r)-6-hydroxy-3-methyl-10-[(1e)-prop-1-en-1-yl]-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione
(2r,3s)-7-acetyl-2,3,6-trihydroxy-2-methyl-3,4-dihydronaphthalen-1-one
3-acetyl-7-hydroxy-5-methoxy-3,4-dimethyl-2-benzofuran-1-one
(1r,4r,6s,8r,10s,11z,14s)-11-ethylidene-6-hydroxy-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-en-12-one
(3as,4r,6as)-4-(4-hydroxy-3-methoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one
4,5,8-trihydroxy-6-(1-hydroxyethyl)naphthalene-1,2-dione
(2z,5r)-2-[(4e)-5-[(s)-methanesulfinyl]pent-4-en-2-yn-1-ylidene]-1,6-dioxaspiro[4.4]non-3-ene
(2z)-3-[3-methoxy-2-(methoxycarbonyl)-5-methylphenyl]prop-2-enoic acid
(3,3-dimethyloxiran-2-yl)methyl 2h-1,3-benzodioxole-5-carboxylate
(7s,8s)-7-hydroxy-8-methoxy-3,7-dimethyl-6-oxo-8h-isochromene-5-carbaldehyde
(3ar,5r,6s,6ar)-6-hydroxy-5-[(r)-hydroxy(phenyl)methyl]-tetrahydro-3h-furo[3,2-b]furan-2-one
(6r,10r)-6-hydroxy-3-methyl-10-[(1e)-prop-1-en-1-yl]-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione
methyl 3-[(3r)-8-hydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl]propanoate
6-hydroxy-3-[(2s)-2-hydroxypropyl]-8-methoxychromen-2-one
8,9-dihydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one
7,8-dihydroxy-2-(2-hydroxypropyl)-5-methylchromen-4-one
2-(5-methylsulfinyl-2-pentyn-4-enylidene)-1,6-dioxaspiro[4.4]non-3-ene
{"Ingredient_id": "HBIN004690","Ingredient_name": "2-(5-methylsulfinyl-2-pentyn-4-enylidene)-1,6-dioxaspiro[4.4]non-3-ene","Alias": "NA","Ingredient_formula": "C13H14O3S","Ingredient_Smile": "NA","Ingredient_weight": "250.31","OB_score": "NA","CAS_id": "124442-14-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9051","PubChem_id": "NA","DrugBank_id": "NA"}
(2's)-7-hydroxy-5-hydroxymethyl-2-(2'-hydroxypropyl)chromone
{"Ingredient_id": "HBIN006790","Ingredient_name": "(2's)-7-hydroxy-5-hydroxymethyl-2-(2'-hydroxypropyl)chromone","Alias": "NA","Ingredient_formula": "C13H14O5","Ingredient_Smile": "CC(CC1=CC(=O)C2=C(O1)C=C(C=C2CO)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10204","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-methyl-canthin-2,6-dione
C15H10N2O2 (250.07422400000002)
{"Ingredient_id": "HBIN008923","Ingredient_name": "3-methyl-canthin-2,6-dione","Alias": "NA","Ingredient_formula": "C15H10N2O2","Ingredient_Smile": "CN1C2=C3C(=CC1=O)C4=CC=CC=C4N3C(=O)C=C2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14204","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(5s,6r,7r,8r)-goniotriol
{"Ingredient_id": "HBIN011935","Ingredient_name": "(5s,6r,7r,8r)-goniotriol","Alias": "NA","Ingredient_formula": "C13H14O5","Ingredient_Smile": "C1=CC=C(C=C1)C(C(C2C(C=CC(=O)O2)O)O)O","Ingredient_weight": "250.25 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8948","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "125950","DrugBank_id": "NA"}
(5s,6r,7s,8s)-goniotriol
{"Ingredient_id": "HBIN011941","Ingredient_name": "(5s,6r,7s,8s)-goniotriol","Alias": "NA","Ingredient_formula": "C13H14O5","Ingredient_Smile": "C1=CC=C(C=C1)C(C(C2C(C=CC(=O)O2)O)O)O","Ingredient_weight": "250.25 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8949","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "26496963","DrugBank_id": "NA"}
(3s,4s)-4-acetyl-3,6,8-trihydroxy-3-methyl-2,4-dihydronaphthalen-1-one
7-hydroxy-5,6-dimethoxy-2-oxochromene-8-carbaldehyde
6,7,8-trihydroxy-2-methyl-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
(2e,5r)-2-[(4e)-5-[(s)-methanesulfinyl]pent-4-en-2-yn-1-ylidene]-1,6-dioxaspiro[4.4]non-3-ene
(4s,6s,9s)-5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6-diol
C10H15ClO5 (250.06079699999998)
3-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-2,5,7,9(16),10(15),11,13-heptaen-4-one
C15H10N2O2 (250.07422400000002)
(1s,4s,5s,6s,7r,9s,11s)-5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6-diol
C10H15ClO5 (250.06079699999998)
(2s)-2-amino-4-{[(1r)-1-carboxy-2-sulfanylethyl]-c-hydroxycarbonimidoyl}butanoic acid
12-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
C15H10N2O2 (250.07422400000002)
2-(5-methanesulfinylpent-4-en-2-yn-1-ylidene)-1,6-dioxaspiro[4.4]non-3-ene
n-[(1-methoxyindol-3-yl)methyl]methylsulfanylcarboximidic acid
1-[(3e)-3-(chloromethylidene)-6-hydroxy-2h-1-benzoxepin-7-yl]ethanone
methyl 2-[4-(2-methoxy-2-oxoacetyl)phenyl]-2-oxoacetate
(2s)-4-ethoxy-2-hydroxy-4-oxobutyl (2e)-4-chlorobut-2-enoate
C10H15ClO5 (250.06079699999998)
6-hydroxy-2-[(1e)-2-methanesulfinylethenyl]chromen-4-one
12-methyl-6,14-dioxatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-1(10),2(7),3,8,11,13(17),15-heptaen-5-one
5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6-diol
C10H15ClO5 (250.06079699999998)
2-hydroxy-6-(3-hydroxypropanoyl)-3-methylpteridin-4-one
(1s,4s,5r,6s,7r,9r,11s)-5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6-diol
C10H15ClO5 (250.06079699999998)
methyl 8-hydroxy-6-methoxy-1-oxoisochromene-3-carboxylate
methyl 7-hydroxy-8-methoxy-2-oxochromene-6-carboxylate
(4s,6s,9r)-5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6-diol
C10H15ClO5 (250.06079699999998)
6-methyl-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5(16),8,10(15),11,13-hexaene-2,7-dione
C15H10N2O2 (250.07422400000002)
8-hydroxy-6-methoxy-3-methyl-1-oxoisochromene-4-carboxylic acid
6-methyl-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-4,7,9(16),10(15),11,13-hexaene-2,3-dione
C15H10N2O2 (250.07422400000002)
(2r,3s)-1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione
4,5,7,8-tetrahydroxy-3,6-dimethylnaphthalene-1,2-dione
7-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
C15H10N2O2 (250.07422400000002)
prop-2-en-1-yl 3-(prop-2-en-1-ylsulfanyl)prop-2-en-1-yl sulfate
(1s,4s,5r,6s,7r,9s,11s)-5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,6-diol
C10H15ClO5 (250.06079699999998)
3,5,8-trihydroxy-2-methoxy-6-methylnaphthalene-1,4-dione
3-(hydroxymethyl)-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
C15H10N2O2 (250.07422400000002)
11-methoxy-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
C15H10N2O2 (250.07422400000002)
