Exact Mass: 322.0511
Exact Mass Matches: 322.0511
Found 440 metabolites which its exact mass value is equals to given mass value 322.0511,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Thymidine-5'-monophosphoric acid
5-Thymidylic acid (conjugate base thymidylate), also known as thymidine monophosphate (TMP), deoxythymidine monophosphate (dTMP), or deoxythymidylic acid (conjugate base deoxythymidylate), is a nucleotide that is used as a monomer in DNA. It is an ester of phosphoric acid with the nucleoside thymidine. dTMP consists of a phosphate group, the pentose sugar deoxyribose, and the nucleobase thymine. Unlike the other deoxyribonucleotides, thymidine monophosphate often does not contain the "deoxy" prefix in its name; nevertheless, its symbol often includes a "d" ("dTMP"). 5-Thymidylic acid belongs to the class of organic compounds known as pyrimidine 2-deoxyribonucleoside monophosphates. These are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. The neutral species of 5-Thymidylic acid (2-deoxythymidine 5-monophosphate). 5-Thymidylic acid exists in all living species, ranging from bacteria to humans. Within humans, 5-thymidylic acid participates in a number of enzymatic reactions. In particular, 5-thymidylic acid and dihydrofolic acid can be biosynthesized from dUMP and 5,10-methylene-THF by the enzyme thymidylate synthase. In addition, 5-thymidylic acid can be converted into dTDP; which is catalyzed by the enzyme thymidylate synthase. In humans, 5-thymidylic acid is involved in pyrimidine metabolism. Outside of the human body, 5-Thymidylic acid has been detected, but not quantified in several different foods, such as common buckwheats, corn salad, garden cress, squashberries, and star fruits. 5-thymidylic acid, also known as thymidylate or thymidine 5-phosphate, is a member of the class of compounds known as pyrimidine 2-deoxyribonucleoside monophosphates. Pyrimidine 2-deoxyribonucleoside monophosphates are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. 5-thymidylic acid is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 5-thymidylic acid can be found in a number of food items such as burbot, enokitake, scarlet bean, and garland chrysanthemum, which makes 5-thymidylic acid a potential biomarker for the consumption of these food products. 5-thymidylic acid can be found primarily in feces, as well as in human fibroblasts tissue. 5-thymidylic acid exists in all living species, ranging from bacteria to humans. In humans, 5-thymidylic acid is involved in the pyrimidine metabolism. 5-thymidylic acid is also involved in few metabolic disorders, which include beta ureidopropionase deficiency, dihydropyrimidinase deficiency, MNGIE (mitochondrial neurogastrointestinal encephalopathy), and UMP synthase deficiency (orotic aciduria). Acquisition and generation of the data is financially supported in part by CREST/JST.
Chloramphenicol
An antibiotic first isolated from cultures of Streptomyces venequelae in 1947 but now produced synthetically. It has a relatively simple structure and was the first broad-spectrum antibiotic to be discovered. It acts by interfering with bacterial protein synthesis and is mainly bacteriostatic. (From Martindale, The Extra Pharmacopoeia, 29th ed, p106) G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AA - Antibiotics D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AF - Antiinfectives for treatment of acne D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06A - Antibiotics for topical use S - Sensory organs > S03 - Ophthalmological and otological preparations > S03A - Antiinfectives > S03AA - Antiinfectives J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01B - Amphenicols > J01BA - Amphenicols S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AA - Antibiotics S - Sensory organs > S02 - Otologicals > S02A - Antiinfectives > S02AA - Antiinfectives D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3070 C254 - Anti-Infective Agent > C258 - Antibiotic C784 - Protein Synthesis Inhibitor KEIO_ID C057; [MS3] KO008919 KEIO_ID C057; [MS2] KO008918 KEIO_ID C057
Sulprofos
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
Leukoefdin
Flavan-3,3',4,4',5,5',7-heptol is a flavanol that is 3,4-dihydro-2H-chromene which is substituted at positions 3, 4, 5, and 7 by hydroxy groups, and at position 2 by a 3,4,5-trihydroxyphenyl group. It is a hydroxyflavan, a member of catechols, a glycol, a member of resorcinols, a secondary alcohol and a polyphenol. Leucodelphinidin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=491-52-1 (retrieved 2024-07-12) (CAS RN: 491-52-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Tetrangomycin
An angucycline antibiotic that is 3,4-dihydrotetraphene-1,7,12(2H)-trione substituted by hydroxy groups at positions 3 and 8 and a methyl group at position 3 (the 3R stereoisomer) ring system. It is an antibiotic isolated from Streptomyces sp.
Sulfotep
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
DINITRAMINE
CONFIDENCE standard compound; INTERNAL_ID 169; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4721; ORIGINAL_PRECURSOR_SCAN_NO 4718 CONFIDENCE standard compound; INTERNAL_ID 169; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4717; ORIGINAL_PRECURSOR_SCAN_NO 4714 CONFIDENCE standard compound; INTERNAL_ID 169; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4730; ORIGINAL_PRECURSOR_SCAN_NO 4727 CONFIDENCE standard compound; INTERNAL_ID 169; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4709; ORIGINAL_PRECURSOR_SCAN_NO 4705 CONFIDENCE standard compound; INTERNAL_ID 169; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4727; ORIGINAL_PRECURSOR_SCAN_NO 4726 CONFIDENCE standard compound; INTERNAL_ID 169; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4723; ORIGINAL_PRECURSOR_SCAN_NO 4720
Minodronic acid
C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates Minodronic acid (YM-529) is a third-generation bisphosphonate that directly and indirectly prevents proliferation, induces apoptosis, and inhibits metastasis of various types of cancer cells. Minodronic acid (YM-529) is an antagonist of purinergic P2X2/3 receptors involved in pain[1][2].
Lepidimoic acid
Isolated from seeds of Lepidium sativum (garden cress). Lepidimoic acid is found in garden cress and brassicas. Lepidimoic acid is found in brassicas. Lepidimoic acid is isolated from seeds of Lepidium sativum (garden cress
L-gamma-Glutamyl-S-allylthio-L-cysteine
N-gamma-Glutamyl-S-(allylthio)cysteine is found in onion-family vegetables. N-gamma-Glutamyl-S-(allylthio)cysteine is a constituent of garlic (Allium sativum). Constituent of garlic (Allium sativum). L-gamma-Glutamyl-S-allylthio-L-cysteine is found in garlic, soft-necked garlic, and onion-family vegetables.
7,7'-Dihydroxy-6,8'-bicoumarin
7,7-Dihydroxy-6,8-bicoumarin is found in herbs and spices. 7,7-Dihydroxy-6,8-bicoumarin is isolated from white clover (Trifolium repens). Isolated from white clover (Trifolium repens). 7,7-Dihydroxy-6,8-bicoumarin is found in tea, herbs and spices, and pulses.
4-(3,4-Dihydroxyphenyl)-2,3-dihydro-2,3-dihydroxy-1H-phenalen-1-one
4-(3,4-Dihydroxyphenyl)-2,3-dihydro-2,3-dihydroxy-1H-phenalen-1-one is found in fruits. 4-(3,4-Dihydroxyphenyl)-2,3-dihydro-2,3-dihydroxy-1H-phenalen-1-one is a constituent of Musa acuminata (dwarf banana) infected with Colletotrichum musae. Constituent of Musa acuminata (dwarf banana) infected with Colletotrichum musae. 4-(3,4-Dihydroxyphenyl)-2,3-dihydro-2,3-dihydroxy-1H-phenalen-1-one is found in fruits.
Flazine methyl ether
Flazine methyl ether is found in blackcurrant. Flazine methyl ether is an alkaloid from freshly pressed juice of blackcurrant (Ribes nigrum)(Grossulariaceae). Alkaloid from freshly pressed juice of blackcurrant (Ribes nigrum)(Grossulariaceae). Flazine methyl ether is found in fruits and blackcurrant. D004791 - Enzyme Inhibitors
thymidine 3'-monophosphate
thymidine 3-monophosphate is considered to be soluble (in water) and acidic
N-[4-[(6-Methoxypyrimidin-4-yl)sulfamoyl]phenyl]acetamide
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
Dansylsarcosine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003619 - Dansyl Compounds
Minodronic acid
C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates Minodronic acid (YM-529) is a third-generation bisphosphonate that directly and indirectly prevents proliferation, induces apoptosis, and inhibits metastasis of various types of cancer cells. Minodronic acid (YM-529) is an antagonist of purinergic P2X2/3 receptors involved in pain[1][2].
N-(6-Chloro-9h-pyrido[3,4-b]indol-8-yl)-3-pyridinecarboxamide
Sulfotep
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
Trofosfamide
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AA - Nitrogen mustard analogues D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000477 - Alkylating Agents D009676 - Noxae > D009153 - Mutagens
Saxalin
Saxalin is a member of the class of compounds known as psoralens. Psoralens are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. Saxalin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Saxalin can be found in parsley, which makes saxalin a potential biomarker for the consumption of this food product.
Sodium sulfate decahydrate
Added to food as a flavour or flavour-modifier, pH control agent or clarifying/flocculating agent
cyanidin
See also: Bilberry (part of). Cyanidin Chloride (IdB 1027), a subclass of anthocyanin, displays antioxidant and anti-carcinogenesis properties. Cyanidin Chloride (IdB 1027) inhibits osteoclast formation, hydroxyapatite resorption, and receptor activator of NF-κB ligand (RANKL)-induced osteoclast marker gene expression[1]. Cyanidin Chloride (IdB 1027), a subclass of anthocyanin, displays antioxidant and anti-carcinogenesis properties. Cyanidin Chloride (IdB 1027) inhibits osteoclast formation, hydroxyapatite resorption, and receptor activator of NF-κB ligand (RANKL)-induced osteoclast marker gene expression[1].
vulpinic acid
Vulpinic acid, a lichen metabolite, decreases H2O2-induced ROS production, oxidative stress and oxidative stress-related damages in human umbilical vein endothelial cells (HUVEC). Vulpinic acid is active against staphylococci, enterococci, and anaerobic bacteria.Vulpinic acid has?the?potential?for?atherosclerosis?research[1][2].
3-methoxy-2-(3-methoxyphenyl)furo[2,3-h]chromen-4-one
2-(2-Furylcarbonyl)-3-[4-(trifluoromethoxy)anilino]acrylonitrile
2-(3,5-dioxo-4-phenyl-2-oxolanylidene)-2-phenylacetic acid methyl ester
4-methoxy-5-(3,4-methylenedioxycinnamoyl) benzofuran
16-bromo-(7E,15E)-hexadeca-7,15-dien-5,13-diynoic acid
3,6-Dihydroxy-5-methoxy-7-phenyl-1H,3H-naphtho[1,8-cd]pyran-1-one
3,6-Dimethoxy-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one
(9E,15E)-form-16-Bromo-9,15-hexadecadiene-5,7-diynoic acid
(+)-(2S,3R,1S,6R)-5,7-dihydroxy-3,6-epoxy-1,2,3,4,5,6-tetrahydro-3,4-secoflava-4,1-lactone-3-oic acid
1-(3,4,5-Trihydroxyphenyl)-2-hydroxy-3-(2,4,6-trihydroxyphenyl)propane-1-one
(E)-5-(2-formylvinyl)-7-methoxy-2-(3,4-methylenedioxyphenyl)benzofuran
alpha-D-(Galactopyranuronsaeure)-L-rhamnose-1,2:2,1-dianhydrid|alpha-D-galactopyranuronic acid beta-L-rhamnopyranose 1,2:2,1-dianhydride
(2R,3R,4R)-2-(4-carboxymethyl-gamma-butenolide-3-yl)-3,5,7-trihydroxychroman|viniferone C
(2S)-7,9-dihydroxy-2-(prop-1-en-2-yl)-1,2-dihydroanthra[2,1-b]furan-6,11-dione
6-(Sulfooxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid 3-methyl ester
2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,6,7,8-pentol
3,3a-Dihydro-3a-hydroxy-5-methoxy-7-phenyl-1H,6H-naphtho[1,8-cd]pyran-1,6-dione
Saxalin
Saxalin is a natural product found in Harbouria trachypleura, Petroselinum crispum, and other organisms with data available.
(3R)-3-chloro-6-hydroxy-8-methoxy-alpha-lapachone|(R)-3-chloro-6-hydroxy-8-methoxy-alpha-lapachone
SAXAKIN
chloramphenicol
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AA - Antibiotics D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AF - Antiinfectives for treatment of acne An organochlorine compound that is dichloro-substituted acetamide containing a nitrobenzene ring, an amide bond and two alcohol functions. D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06A - Antibiotics for topical use S - Sensory organs > S03 - Ophthalmological and otological preparations > S03A - Antiinfectives > S03AA - Antiinfectives J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01B - Amphenicols > J01BA - Amphenicols S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AA - Antibiotics S - Sensory organs > S02 - Otologicals > S02A - Antiinfectives > S02AA - Antiinfectives D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic C784 - Protein Synthesis Inhibitor CONFIDENCE standard compound; INTERNAL_ID 662; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3461; ORIGINAL_PRECURSOR_SCAN_NO 3459 CONFIDENCE standard compound; INTERNAL_ID 662; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3476; ORIGINAL_PRECURSOR_SCAN_NO 3473 CONFIDENCE standard compound; INTERNAL_ID 662; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3449; ORIGINAL_PRECURSOR_SCAN_NO 3445 CONFIDENCE standard compound; INTERNAL_ID 662; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3469; ORIGINAL_PRECURSOR_SCAN_NO 3467 CONFIDENCE standard compound; INTERNAL_ID 662; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3457; ORIGINAL_PRECURSOR_SCAN_NO 3455 CONFIDENCE standard compound; INTERNAL_ID 662; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3458; ORIGINAL_PRECURSOR_SCAN_NO 3457 Origin: Microbe, Propylene glycols, Nitrobenzenes CONFIDENCE standard compound; INTERNAL_ID 2306 CONFIDENCE standard compound; INTERNAL_ID 8318 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.577 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.575 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.573 CONFIDENCE standard compound; INTERNAL_ID 4073
methyl 3,7,8-trihydroxy-3-methyl-10-oxo-1,4-dihydropyrano[4,3-b]chromene-9-carboxylate
3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione [IIN-based: Match]
3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione [IIN-based on: CCMSLIB00000847997]
Cys Gly Gly Ser
Cys Gly Ser Gly
Cys Ser Gly Gly
Gly Cys Gly Ser
Gly Cys Ser Gly
Gly Gly Cys Ser
Gly Gly Ser Cys
Gly Ser Cys Gly
Gly Ser Gly Cys
Ser Cys Gly Gly
Ser Gly Cys Gly
Ser Gly Gly Cys
4-(3,4-dihydroxyphenyl)-2,3-dihydroxy-2,3-dihydro-1H-phenalen-1-one
L-gamma-Glutamyl-S-allylthio-L-cysteine
2-OXO-2H,5H-1,6-DIOXA-BENZO[C]PHENANTHRENE-3-CARBOXYLIC ACID ETHYL ESTER
2-CHLORO-N-(4-CHLORO-2-((HYDROXYIMINO)(PHENYL)METHYL)PHENYL)ACETAMIDE
methyl 4-(methylsulfonamidomethyl)-2-sulfamoylbenzoate
1-(3-AMINO-4-CHLOROBENZENESULFONYL)-1,2,3,4-TETRAHYDROQUINOLINE
(2S,4S)-PROPYL 6-FLUORO-2,5-DIOXOSPIRO[CHROMAN-4,4-IMIDAZOLIDINE]-2-CARBOXYLATE
5-(2,3-DIHYDRO-BENZO[1,4]DIOXIN-6-YL)-2-PHENYL-2H-PYRAZOLE-3-CARBOXYLIC ACID
4-[(2,5-DIOXOTETRAHYDRO-1H-IMIDAZOL-4-YLIDEN)METHYL]PHENYL 3-CHLORO-2,2-DIMETHYLPROPANOATE
3-(2,4-dimethoxyphenyl)-7-(trifluoromethyl)-1H-indazole
2-[4-NITRO-2-(TRIFLUOROMETHYL)PHENYL]-1,2,3,4-TETRAHYDROISOQUINOLINE
methyl 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoate
Acetamide,N,N-(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis-
N-[2-butyl-3-[4-(3-butylaMino) propoxy]benzoyl]-5-benzofuranyl] MethanesulfonaMide
BW-723C86
BW-723C86 is a potent and a selective 5-HT2B receptor agonist. BW-723C86 exhibits anxiolytic-like actions. BW-723C86 also causes hyperphagia and reduced grooming in rats[1][2][3].
3-[(4-methoxyphenyl)methyl]-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-chloro-2-(3-chloro-4-methoxyphenyl)-5-methoxyindazole
3-(4-CYANO-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1-[(4-METHYLPHENYL)SULFONYL]-1H-INDOL-5-AMINIUM CHLORIDE
2-(2-[[(4-CHLOROPHENYL)THIO]METHYL]PHENOXY)ETHANOHYDRAZIDE
2-(2-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborine
2-(3-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborine
2-(4-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborine
3-(2-CYANO-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(3-CYANO-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-(2,4-DIMETHYLPHENYL)-1-MERCAPTO[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5(4H)-ONE
Carbazochrome sodium sulfonate (AC-17)
Carbazochrome sodium sulfonate (AC-17) is a capillary stabiliser and used for the research of haemorrhage. Carbazochrome sodium sulfonate is an antihemorrhagic agent[1].
sodium,2-hydroxybenzoate,[(E)-(3-hydroxy-1-methyl-6-oxo-2,3-dihydroindol-5-ylidene)amino]urea
3-Oxo-3H,12H-4,11-dioxa-chrysene-2-carboxylic acid ethyl ester
Ethyl 1-benzyl-4-bromo-3-methyl-1H-pyrazole-5-carboxylate
Ethyl 1-benzyl-4-bromo-5-methyl-1H-pyrazole-3-carboxylate
4-(2,3-DIMETHYLPHENYL)-1-MERCAPTO[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5(4H)-ONE
3,3-Dimethyl-6-((2,2-dimethyl-1-oxopropyl)amino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid monosodium salt
ethyl 5-(4-bromophenyl)-1-ethylpyrazole-3-carboxylate
ethyl (E)-3-(2-chlorophenyl)-2-[(1,3-thiazol-2-ylamino)methyl]prop-2-enoate
methyl 3-hydroxy-5-(4-methylsulfonylphenoxy)benzoate
N,N-(9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)bisacetamide
6-(2-Chloro-5-fluoro-4-pyrimidinyl)-4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazole
2-Amino-6-bromo-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7(8H)-one
(2-Fluorophenyl)(1-piperazinyl)methanone trifluoroacetate (1:1)
(4-fluorophenyl)(2-(piperazin-1-yl)pyrimidin-5-yl)methanone hydrochloride
2-CHLORO-N-(4-(PYRIDIN-4-YLMETHYL)PHENYL)BENZAMIDE
tert-Butyl 3-(4-bromophenyl)-1H-pyrazole-1-carboxylate
5-[[(7-CHLORO-4-QUINOLINYL)SULFANYL]METHYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
5-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
(5-BROMO-ISOQUINOLIN-1-YL)-CARBAMIC ACID TERT-BUTYL ESTER
iron(2+),6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
2-benzofuran-1,3-dione,furan-2,5-dione,propane-1,2-diol
4-[3-(4-Chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine
(5-Chloropyrazolo[1,5-A]pyrimidin-7-YL)-(4-methanesulfonylphenyl)amine
7,8-Dihydroxy-1-methoxy-3-methyl-10-oxo-4,10-dihydro-1H,3H-pyrano[4,3-B]chromene-9-carboxylic acid
An organic heterotricyclic compound that is 4,10-dihydro-1H,3H-pyrano[4,3-b]chromene substituted by hydroxy groups at positions 7 and 8, a methoxy group at position 1, a methyl group at position 3, an oxo group at position 10 and a carboxy group at position 9. Isolated from Chaetomium funicola it exhibits inhibitory activity against metallo-beta-lactamases.
Zolazepam hydrochloride
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
UMP dianion
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(2S)-2-(2-(3-Hydroxy-2-oxoindolin-3-yl)acetamido)succinic acid
N-(6-Chloro-9h-pyrido[3,4-b]indol-8-yl)-3-pyridinecarboxamide
Strobilurin B
An enoate ester that is the methyl ester of (2E,3Z,5E)-6-(4-chloro-3-methoxyphenyl)-2-(methoxymethylene)-3-methylhexa-3,5-dienoic acid. D010575 - Pesticides > D005659 - Fungicides, Industrial > D000073739 - Strobilurins D016573 - Agrochemicals
1-Methyl-5-((4-methylpiperidin-1-yl)sulfonyl)indoline-2,3-dione
N-(2-methoxy-4-nitrophenyl)-2-[(1-methyl-2-imidazolyl)thio]acetamide
5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-4-ethyl-4H-1,2,4-triazole-3-thiol
N-(4-chloro-2,5-dimethoxyphenyl)-5-cyclopropyl-3-isoxazolecarboxamide
4-[(3-Methylphenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylic acid
10-(3-Aminopropyl)-8-chlorophenothiazine-2,3-diol
D004791 - Enzyme Inhibitors > D000067956 - Adenylyl Cyclase Inhibitors
1-[7-(2,4-Dichlorophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
4-[[1-Oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester
1-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
N-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
2-Amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid
Trofosfamide
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AA - Nitrogen mustard analogues D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000477 - Alkylating Agents D009676 - Noxae > D009153 - Mutagens
Tazobactam sodium
An organic sodium salt having tazobactam(1-) as the counterion; used in combination with ceftolozane sulfate for treatment of complicated intra-abdominal infections and complicated urinary tract infections. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D065093 - beta-Lactamase Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C2140 - Adjuvant > C183118 - Beta-lactamase Inhibitor D004791 - Enzyme Inhibitors
Gallic acid 3-O-gallate
Digallic acid is a polyphenolic compound found in Pistacia lentiscus. Digallic acid is also present in the molecule of tannic acid. Digalloyl esters involve either -meta or -para depside bonds. [Wikipedia]
[3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
7,8-dihydroxy-1-methoxy-3-methyl-10-oxo-3,4-dihydro-1H-pyrano[4,3-b]chromene-9-carboxylic acid
2-O-(4-deoxy-beta-L-threo-hex-4-enopyranuronosyl)-alpha-L-rhamnopyranose
2-Oxo-3-(phosphooxy)propyl 7-methyl-3-oxooctanoate
[4-[(3S)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]phenyl] hydrogen sulfate
Sodium sulfate decahydrate
C78275 - Agent Affecting Blood or Body Fluid > C29730 - Electrolyte Replacement Agent D005765 - Gastrointestinal Agents > D002400 - Cathartics
(+)-3,4-dihydro-3,8-dihydroxy-3-methylbenz(a)anthracene-1,7,12(2H)-trione
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione
[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]thiourea
5-(4-bromophenyl)-N,N-diethyl-3-isoxazolecarboxamide
N-(5-bromo-2-pyridinyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxamide
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-2-carboxamide
2-Pyridinecarboxylic acid [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] ester
6,7-dimethoxy-3-(2-oxolanylmethyl)-2-sulfanylidene-1H-quinazolin-4-one
2-[[5-(Phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile
(3-Methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)-(3-methyl-1-pyrazolyl)methanone
N-[2,2-dimethyl-3-[[oxo(thiophen-2-yl)methyl]amino]propyl]-2-thiophenecarboxamide
2-hydroxy-N-[(E)-(6-methyl-4-oxo-4H-chromen-3-yl)methylidene]benzohydrazide
3-(4-chlorophenyl)-5-(3-phenyl-1H-pyrazol-4-yl)-1,2,4-oxadiazole
2-[5-(3-chlorophenyl)furan-2-yl]quinazolin-4(3H)-one
(E)-2-(((quinolin-8-ylmethylene)amino)oxy)butyl methanesulfonate
(2S,3R,4S)-3,4-dihydroxy-2-[(2S,3R,4R,5R,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Methyl (2E)-2-(3,5-dioxo-4-phenyloxolan-2-ylidene)-2-phenylacetate
{3-[3-(2-Hydroxyphenyl)propanoyl]phenyl}oxidanesulfonic acid
[1-[(3,4-Dichlorophenyl)methyl]-2-hydroxyindol-3-yl]-oxidoazanium
Methyl 3,7,8-trihydroxy-3-methyl-10-oxo-1,4-dihydropyrano[4,3-b]chromene-9-carboxylate
Digallic acid
D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors
2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
3,4-dihydroxy-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy-3,4-dihydro-2H-pyran-6-carboxylic acid
4-(3,4-Dihydroxyphenyl)-2,3-dihydro-2,3-dihydroxy-1H-phenalen-1-one
flavan-3,3,4,4,5,5,7-heptol
A flavanol that is 3,4-dihydro-2H-chromene which is substituted at positions 3, 4, 5, and 7 by hydroxy groups, and at position 2 by a 3,4,5-trihydroxyphenyl group.
uridine 5-monophosphate(2-)
A pyrimidine nucleoside 5-monophosphate(2-) that results from the removal of two protons from the phosphate group of UMP.
Ribavirin 5-monophosphate(2-)
An organophosphate oxoanion resulting from the removal of both protons from the phosphate group of ribavirin 5-monophosphate. It is the major species at pH 7.3.
3-UMP(2-)
A nucleoside 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of uridine 3-monophosphate (UMP). It is the predominant species at physiological pH.
Pseudouridine 5-phosphate(2-)
An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of pseudouridine 5-phosphate; major species at pH 7.3.
(2R,3S,4S)-leucodelphinidin
A flavan-3,3,4,4,5,5,7-heptol that has (2R,3S,4S) configuration.
Adenosine receptor antagonist 3
Adenosine receptor antagonist 3 is a potent antagonist of adenosine receptor. Adenosine receptor antagonist 3 has the potential for the research of cancer disease (extracted from patent WO2019233994A1, compound 1)[1].
Azvudine (hydrochloride)
Azvudine (RO-0622) hydrochloride is a potent nucleoside reverse transcriptase inhibitor (NRTI), with antiviral activity on HIV, HBV and HCV. Azvudine hydrochloride exerts highly potent inhibition on HIV-1 (EC50s ranging from 0.03 to 6.92 nM) and HIV-2 (EC50s ranging from 0.018 to 0.025 nM). Azvudine hydrochloride inhibits NRTI-resistant viral strains[1]. Azvudine (hydrochloride) is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. Strain-promoted alkyne-azide cycloaddition (SPAAC) can also occur with molecules containing DBCO or BCN groups.
Oxotremorine M (iodide)
Oxotremorine M iodide is a potent and non-selective muscarinic acetylcholine receptor (mAChR) agonist. Oxotremorine M iodide potentiates NMDA receptors by muscarinic receptor dependent and independent mechanisms[1].
α-D-Glucose-1-phosphate (disodium hydrate)
α-D-Glucose-1-phosphate disodium hydrate is used as a starting material for synthesis of glucuronic acid. α-D-Glucose-1-phosphate disodium hydrate can be used as a cytostatic compound essential for cardiopathic therapy, as an antibiotic, as an immunosuppressive agent, and as a circulatory system therapy element[1].
7,8-dihydroxy-3-methoxy-3-methyl-10-oxo-1h,4h-pyrano[4,3-b]chromene-9-carboxylic acid
4-{4-hydroxy-2',4'-dioxaspiro[cyclopentane-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),2,5',7',9',11'-hexaen-5-ylidene}but-2-enoic acid
(1s,2's)-4-hydroxy-6-methoxy-2'-methyl-3,5'-dioxospiro[2-benzofuran-1,3'-oxolan]-2'-ylacetic acid
2-(2-hydroxyphenyl)-5-(4-hydroxyphenyl)-3-methoxycyclohexa-2,5-diene-1,4-dione
(5s)-5-hydroxy-7-methoxy-10-phenyl-3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),6,9(13),10-tetraene-2,8-dione
4-[(2r)-3-chloro-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
7-bromo-2-methyl-2-(4-methylpent-3-en-1-yl)chromen-6-ol
1-[(1r,12r)-16-hydroxy-6,11,19-trioxapentacyclo[10.8.0.0²,¹⁰.0⁵,⁹.0¹³,¹⁸]icosa-2,4,7,9,13,15,17-heptaen-7-yl]ethanone
(3z,5e,7e,9e,11r)-1,1,1-trichloro-4-hydroxy-11-methyltrideca-3,5,7,9-tetraen-2-one
(2s)-7,9-dihydroxy-2-(prop-1-en-2-yl)-1h,2h-anthra[2,1-b]furan-6,11-dione
(2r,5'z)-5'-[(2-hydroxyphenyl)methylidene]-3h-spiro[1-benzofuran-2,2'-pyrazine]-3',6'-diol
1,1,1-trichloro-4-hydroxy-11-methyltrideca-3,5,7,9-tetraen-2-one
(2s)-2-amino-4-{[(1r)-1-carboxy-2-(prop-2-en-1-yldisulfanyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid
2-[(dichloromethoxy)methyl]-3-hydroxy-3-(4-nitrophenyl)propanimidic acid
3,8-dihydroxy-7-methoxy-3-methyl-10-oxo-1h,4h-pyrano[4,3-b]chromene-6-carboxylic acid
8-hydroxy-3-(hydroxymethyl)-3,4-dihydro-2h-tetraphene-1,7,12-trione
(4s)-4,8-dihydroxy-7-methoxy-10-phenyl-3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaen-2-one
1-{16-hydroxy-6,11,19-trioxapentacyclo[10.8.0.0²,¹⁰.0⁵,⁹.0¹³,¹⁸]icosa-2,4,7,9,13,15,17-heptaen-7-yl}ethanone
methyl (3e,5e)-6-(4-chloro-3-methoxyphenyl)-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate
(1s,3s)-7,8-dihydroxy-1-methoxy-3-methyl-10-oxo-1h,3h,4h-pyrano[4,3-b]chromene-9-carboxylic acid
1-(3,4,5-trihydroxyphenyl)-3-(2,4,6-trihydroxy-phenyl)-2-hydroxy-1-propanone
{"Ingredient_id": "HBIN001022","Ingredient_name": "1-(3,4,5-trihydroxyphenyl)-3-(2,4,6-trihydroxy-phenyl)-2-hydroxy-1-propanone","Alias": "NA","Ingredient_formula": "C15H14O8","Ingredient_Smile": "C1=C(C=C(C(=C1O)O)O)C(=O)C(CC2=C(C=C(C=C2O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21821","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
