Exact Mass: 308.05502060000003
Exact Mass Matches: 308.05502060000003
Found 500 metabolites which its exact mass value is equals to given mass value 308.05502060000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Alprazolam
Alprazolam is only found in individuals that have used or taken this drug. It is a triazolobenzodiazepine compound with antianxiety and sedative-hypnotic actions, that is efficacious in the treatment of panic disorders, with or without agoraphobia, and in generalized anxiety disorders. (From AMA Drug Evaluations Annual, 1994, p238)Benzodiazepines bind nonspecifically to benzodiazepine receptors BNZ1, which mediates sleep, and BNZ2, which affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABAA) receptors, this enhances the effects of GABA by increasing GABA affinity for the GABA receptor. Binding of the inhibitory neurotransmitter GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Warfarin
Warfarin is an anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide. B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent > C173064 - Vitamin K Antagonist D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins D010575 - Pesticides > D012378 - Rodenticides D016573 - Agrochemicals
2'-Deoxyuridine 5'-monophosphate disodium salt
Deoxyuridine monophosphate (dUMP), also known as deoxyuridylic acid or deoxyuridylate in its conjugate acid and conjugate base forms, respectively, is a deoxynucleotide. It 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. dUMP exists in all living species, ranging from bacteria to humans. Within humans, dUMP participates in a number of enzymatic reactions. In particular, dUMP can be biosynthesized from dCMP through its interaction with the enzyme deoxycytidylate deaminase. In addition, dUMP can be biosynthesized from deoxyuridine; which is mediated by the enzyme thymidine kinase, cytosolic. In humans, dUMP is involved in pyrimidine metabolism. A pyrimidine 2-deoxyribonucleoside 5-monophosphate having uracil as the nucleobase. Outside of the human body, dUMP has been detected, but not quantified in several different foods, such as breadnut tree seeds, sea-buckthornberries, sour cherries, black walnuts, and common oregano. dUMP is formed by the reduction of ribonucleotides to deoxyribonucleotides by ribonucleoside diphosphate reductase [EC 1.17.4.1]. dUMP by the action of by thymidylate synthetase [EC 2.1.1.45] produces dTMP (5,10-Methylene-5,6,7,8-tetrahydrofolate is a cofactor for the reaction). The nuclear form of uracil-DNA glycosylase (UNG2), that its major role is to remove misincorporated dUMP residues (cells deficient in removal of misincorporated dUMP accumulate uracil residues). (PMID 11554311) [HMDB]. dUMP is found in many foods, some of which are ginger, evergreen huckleberry, vanilla, and common walnut. dUMP. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=964-26-1 (retrieved 2024-07-15) (CAS RN: 964-26-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Clobenpropit
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists
1,4,6-Heptatrien-3-one, 5-hydroxy-1,7-bis(4-hydroxyphenyl)-
Bisdemethoxycucurmin (Curcumin III), a curcuminoid, has antioxidant and antiinflammatory activities[1][2]. Bisdemethoxycucurmin (Curcumin III), a curcuminoid, has antioxidant and antiinflammatory activities[1][2].
(R)-5-Diphosphomevalonic acid
Mevalonate-diphosphate, also known as 5-diphosphomevalonic acid or mevelonic acid-5-diphosphoric acid, is a member of the class of compounds known as organic pyrophosphates. Organic pyrophosphates are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O. Thus, mevalonate-diphosphate is considered to be a fatty acid lipid molecule. Mevalonate-diphosphate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Mevalonate-diphosphate can be found in a number of food items such as kohlrabi, enokitake, avocado, and redcurrant, which makes mevalonate-diphosphate a potential biomarker for the consumption of these food products. Mevalonate-diphosphate exists in all eukaryotes, ranging from yeast to humans. In humans, mevalonate-diphosphate is involved in several metabolic pathways, some of which include zoledronate action pathway, lovastatin action pathway, pamidronate action pathway, and desmosterolosis. Mevalonate-diphosphate is also involved in several metabolic disorders, some of which include wolman disease, lysosomal acid lipase deficiency (wolman disease), cholesteryl ester storage disease, and CHILD syndrome. 5-Diphosphomevalonic acid (CAS: 1492-08-6) is a metabolic intermediate in the mevalonate pathway, catalyzed by the enzyme phosphomevalonate kinase from 5-phosphomevalonate (Wikipedia).
Quercetin 3-O-sophoroside
D004396 - Coloring Agents > D050858 - Betalains
Allamandin
FENSULFOTHION
CONFIDENCE standard compound; INTERNAL_ID 348; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8595; ORIGINAL_PRECURSOR_SCAN_NO 8592 CONFIDENCE standard compound; INTERNAL_ID 348; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8562; ORIGINAL_PRECURSOR_SCAN_NO 8559 CONFIDENCE standard compound; INTERNAL_ID 348; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8609; ORIGINAL_PRECURSOR_SCAN_NO 8605 CONFIDENCE standard compound; INTERNAL_ID 348; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8582; ORIGINAL_PRECURSOR_SCAN_NO 8581 CONFIDENCE standard compound; INTERNAL_ID 348; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8608; ORIGINAL_PRECURSOR_SCAN_NO 8606 CONFIDENCE standard compound; INTERNAL_ID 348; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8628; ORIGINAL_PRECURSOR_SCAN_NO 8627
Aplysinal
(R)-3,5-bisphosphomevalonic acid
warfarin
A hydroxycoumarin that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group. C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent > C173064 - Vitamin K Antagonist D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins D010575 - Pesticides > D012378 - Rodenticides D016573 - Agrochemicals Warfarin is a rodenticide used in the home, outdoors, in food service establishments, near fruit trees, in storage buildings, sewers and other places where rodents may be a problem. This white, odorless, tasteless compound, an anti-coagulant, causes bleeding and blood-thinning. [HMDB] CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4694; ORIGINAL_PRECURSOR_SCAN_NO 4690 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4720; ORIGINAL_PRECURSOR_SCAN_NO 4717 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4676; ORIGINAL_PRECURSOR_SCAN_NO 4675 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4690; ORIGINAL_PRECURSOR_SCAN_NO 4686 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4734; ORIGINAL_PRECURSOR_SCAN_NO 4730 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4724; ORIGINAL_PRECURSOR_SCAN_NO 4721 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9135; ORIGINAL_PRECURSOR_SCAN_NO 9131 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9068; ORIGINAL_PRECURSOR_SCAN_NO 9067 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9082; ORIGINAL_PRECURSOR_SCAN_NO 9080 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9187; ORIGINAL_PRECURSOR_SCAN_NO 9186 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9209; ORIGINAL_PRECURSOR_SCAN_NO 9207 CONFIDENCE standard compound; INTERNAL_ID 1289; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9110; ORIGINAL_PRECURSOR_SCAN_NO 9108 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4721; ORIGINAL_PRECURSOR_SCAN_NO 4716 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4720; ORIGINAL_PRECURSOR_SCAN_NO 4719 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4745; ORIGINAL_PRECURSOR_SCAN_NO 4744 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4738; ORIGINAL_PRECURSOR_SCAN_NO 4733 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4832; ORIGINAL_PRECURSOR_SCAN_NO 4831 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4726; ORIGINAL_PRECURSOR_SCAN_NO 4723 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9106; ORIGINAL_PRECURSOR_SCAN_NO 9104 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9133; ORIGINAL_PRECURSOR_SCAN_NO 9130 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9163; ORIGINAL_PRECURSOR_SCAN_NO 9159 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9170; ORIGINAL_PRECURSOR_SCAN_NO 9166 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9145; ORIGINAL_PRECURSOR_SCAN_NO 9142 CONFIDENCE standard compound; INTERNAL_ID 377; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9185; ORIGINAL_PRECURSOR_SCAN_NO 9180 CONFIDENCE standard compound; INTERNAL_ID 2415 CONFIDENCE standard compound; INTERNAL_ID 4042 CONFIDENCE standard compound; INTERNAL_ID 8347 INTERNAL_ID 4042; CONFIDENCE standard compound
Bisdemethoxycurcumin
Bisdemethoxycurcumin is a curcuminoid, a component of tumeric. Tumeric is a spice that comes from the root Curcuma longa, a member of the ginger family, Zingaberaceae. It is bright yellow and has been used as a coloring agent in food in the United States. In India, it has been used for centuries as a spice and a food preservative, and also for its various medicinal properties. In Ayurveda (Indian traditional medicine), tumeric has been used for its medicinal properties for various indications and through different routes of administration. It has been used topically on the skin for wounds, blistering diseases such as pemphigus and herpes zoster, for parasitic skin infections, and for acne. It has been used via oral administration for the common cold, liver diseases, urinary tract diseases, and as a blood purifier. For chronic rhinitis and coryza, it has been used via inhalation. The average intake of tumeric in the diet in India is approximately 2 to 2.5 g in a 60 kg individual. This corresponds to an intake of approximately 60 to 100 mg of curcumin daily. The Food and Drug Administration has classified tumeric among substances Generally Recognized as Safe (GRAS). A large number of in vitro and animal studies have been conducted to evaluate the effect of curcumin on inflammation. It has been found to act at various different levels of the arachadonic acid inflammatory cascade and through effects on various enzymes and cytokines. (PMID: 12676044). Bisdemethoxycurcumin is a beta-diketone that is methane in which two of the hydrogens are substituted by 4-hydroxycinnamoyl groups. It has a role as a metabolite and an EC 3.2.1.1 (alpha-amylase) inhibitor. It is a beta-diketone, a polyphenol, an enone and a diarylheptanoid. It is functionally related to a 4-coumaric acid. Bisdemethoxycurcumin is a natural product found in Curcuma amada, Curcuma kwangsiensis, and other organisms with data available. A beta-diketone that is methane in which two of the hydrogens are substituted by 4-hydroxycinnamoyl groups. Isolated from Curcuma zedoaria (zedoary) and Curcuma longa (turmeric) (E,E)-Bisdemethoxycurcumin ((E,E)-Curcumin III) is a curcumin derivative with anti-inflammatory and anticancer activities. (E,E)-Bisdemethoxycurcumin ((E,E)-Curcumin III) is a curcumin derivative with anti-inflammatory and anticancer activities. Bisdemethoxycucurmin (Curcumin III), a curcuminoid, has antioxidant and antiinflammatory activities[1][2]. Bisdemethoxycucurmin (Curcumin III), a curcuminoid, has antioxidant and antiinflammatory activities[1][2].
Moracin D
Moracin D is a member of benzofurans. Moracin D is a natural product found in Morus alba var. multicaulis, Broussonetia papyrifera, and other organisms with data available. Moracin D is found in fruits. Moracin D is isolated from Morus alba (white mulberry) infected with Fusarium solani. Isolated from Morus alba (white mulberry) infected with Fusarium solani. Moracin D is found in mulberry and fruits.
Flazine
Flazin is a harmala alkaloid. It has a role as a metabolite. Flazin is a natural product found in Brucea javanica, Glycine max, and Ophiocordyceps sinensis with data available. Alkaloid from Japanese soy sauce and sake. Flazine is found in soy bean, herbs and spices, and beverages. Flazine is found in beverages. Flazine is an alkaloid from Japanese soy sauce and sake. A natural product found in Cordyceps sinensis.
Indicaxanthin
Indicaxanthin is found in fruits. Indicaxanthin is a constituent of the fruits of Opuntia ficus-indica (Indian fig) Indicaxanthin is a type of betaxanthin, a plant pigment present in beets, prickly pear cactus, and a powerful antioxidant. It is also found in red dragonfruit D004396 - Coloring Agents > D050858 - Betalains
D-Erythroascorbic acid 1'-a-D-glucoside
D-Erythroascorbic acid 1-a-D-glucoside is found in mushrooms. D-Erythroascorbic acid 1-a-D-glucoside is produced by Hypsizygus mamoreus (bunashimeji) and Pleurotus ostreatus (oyster mushroom). Production by Hypsizygus mamoreus (bunashimeji) and Pleurotus ostreatus (oyster mushroom). D-Erythroascorbic acid 1-a-D-glucoside is found in mushrooms.
Moracin E
Isolated from Morus alba (white mulberry) infected with Fusarium solani. Moracin E is found in mulberry and fruits. Moracin E is found in fruits. Moracin E is isolated from Morus alba (white mulberry) infected with Fusarium solani.
Moracin G
Isolated from Morus alba (white mulberry) infected with Fusarium solani. Moracin G is found in mulberry and fruits. Moracin G is found in fruits. Moracin G is isolated from Morus alba (white mulberry) infected with Fusarium solani.
Glyinflanin H
Glyinflanin H is found in herbs and spices. Glyinflanin H is a constituent of Glycyrrhiza glabra (licorice). Constituent of Glycyrrhiza glabra (licorice). Glyinflanin H is found in tea and herbs and spices.
Kanzonol U
Kanzonol U is found in herbs and spices. Kanzonol U is a constituent of Glycyrrhiza glabra (licorice)
(R)-Mevalonic acid-5-pyrophosphate
(R)-Mevalonic acid-5-pyrophosphate (mevalonate 5-diphosphate) is a directly synthesized product of mevalonate phosphate that is essential for cell proliferation. (PMID 2211719). It is a substrate for mevalonate-5-diphosphate decarboxylase, the third enzyme involved in the biosynthesis of cholesterol from mevalonic acid. This enzyme catalyzes the reaction of mevalonate 5-diphosphate (MVADP) with ATP to produce isopentenyl diphosphate, ADP, CO2, and inorganic phosphate. The overall reaction involves an anti elimination of the tertiary hydroxyl and carboxyl groups. This metabolite participates both in the biosynthesis of cholesterol and fatty acid mechanism, through which interpathway regulation could take place between the cholesterol and FA cascades. (PMID 8769113 ) [HMDB] (R)-Mevalonic acid-5-pyrophosphate (mevalonate 5-diphosphate) is a directly synthesized product of mevalonate phosphate that is essential for cell proliferation. (PMID 2211719). It is a substrate for mevalonate-5-diphosphate decarboxylase, the third enzyme involved in the biosynthesis of cholesterol from mevalonic acid. This enzyme catalyzes the reaction of mevalonate 5-diphosphate (MVADP) with ATP to produce isopentenyl diphosphate, ADP, CO2, and inorganic phosphate. The overall reaction involves an anti elimination of the tertiary hydroxyl and carboxyl groups. This metabolite participates both in the biosynthesis of cholesterol and fatty acid mechanism, through which interpathway regulation could take place between the cholesterol and FA cascades. (PMID 8769113 ).
(1S,2R,3S)-2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol
(1S,2R,3S)-2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol is found in fruits. (1S,2R,3S)-2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol is isolated from Musa acuminata (dwarf banana) infected with Colletotrichum musae. Isolated from Musa acuminata (dwarf banana) infected with Colletotrichum musae. (1S,2R,3S)-2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol is found in fruits.
4R,5R,6S-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one 6-(2-hydroxy-6-methylbenzoate)
4R,5R,6S-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one 6-(2-hydroxy-6-methylbenzoate) is found in green vegetables. 4R,5R,6S-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one 6-(2-hydroxy-6-methylbenzoate) is produced by a Phoma sp. on leaves and stalks of rhubarb. Production by a Phoma species on leaves and stalks of rhubarb. 4R,5R,6S-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one 6-(2-hydroxy-6-methylbenzoate) is found in green vegetables.
cis-Resveratrol 3-sulfate
cis-Resveratrol 3-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
cis-Resveratrol 4'-sulfate
cis-Resveratrol 4-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Resveratrol 3-sulfate
Resveratrol 3-sulfate, also known as resveratrol 3-sulphuric acid, is a polyphenol metabolite detected in biological fluids [http://phenol-explorer.eu/] (PMID: 20428313). Resveratrol 3-sulfate is classified as a member of the Stilbenes. Stilbenes are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. Resveratrol 3-sulfate can be found in human biolfuids (http://phenol-explorer.eu/). Within a cell, Resveratrol 3-sulfate is primarily located in the cytoplasm and in the extracellular space.
trans-Resveratrol 4'-sulfate
trans-Resveratrol 4-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Pinazepam
Pinazepam (marketed under the brand name Domar and Duna) is a drug which is a benzodiazepine. It possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
N-Succinimidyl 6-Maleimidohexanoate
4-Methylumbelliferyl beta-D-xylopyranoside
N-(4-Methoxybenzyl)-N'-(5-nitro-1,3-thiazol-2-YL)urea
Dansylglycine
C14H16N2O4S (308.08307360000003)
1-(2-Hydroxyethyloxymethyl)-6-phenyl thiothymine
C14H16N2O4S (308.08307360000003)
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors
Liarozole
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000726 - Androgen Antagonists C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents D003879 - Dermatologic Agents D004791 - Enzyme Inhibitors
Manitimus
C15H11F3N2O2 (308.07725819999996)
Monoacetyldiglyceride
Nimesulide
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors 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 C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
2-Cyano-3-oxo-N-[4-(trifluoromethyl)phenyl]hept-6-ynamide
C15H11F3N2O2 (308.07725819999996)
[(2S,5S)-5-(2,4-Dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Sulisobenzone
C1892 - Chemopreventive Agent > C851 - Sunscreen
Dillanol
Dillanol is a member of the class of compounds known as isoflavones. Isoflavones are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. Dillanol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Dillanol can be found in dill, which makes dillanol a potential biomarker for the consumption of this food product.
phenylacetohydroximoyl-cysteinylglycine
Phenylacetohydroximoyl-cysteinylglycine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Phenylacetohydroximoyl-cysteinylglycine can be found in a number of food items such as cassava, anise, pitanga, and italian oregano, which makes phenylacetohydroximoyl-cysteinylglycine a potential biomarker for the consumption of these food products.
Catechin hydrate
(+)-catechin monohydrate is the monohydrate of (+)-catechin. It has a role as a geroprotector. It contains a (+)-catechin.
Edulin
Dihydrofusarubin
Caraibical
Bisdemethoxycurcumin
(E,E)-Bisdemethoxycurcumin ((E,E)-Curcumin III) is a curcumin derivative with anti-inflammatory and anticancer activities. (E,E)-Bisdemethoxycurcumin ((E,E)-Curcumin III) is a curcumin derivative with anti-inflammatory and anticancer activities. Bisdemethoxycucurmin (Curcumin III), a curcuminoid, has antioxidant and antiinflammatory activities[1][2]. Bisdemethoxycucurmin (Curcumin III), a curcuminoid, has antioxidant and antiinflammatory activities[1][2].
3,5,6-Trihydroxy-7-phenyl-3H-benzo[de]isochromen-1-one
nimesulide
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors 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 C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors CONFIDENCE standard compound; INTERNAL_ID 561; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4430; ORIGINAL_PRECURSOR_SCAN_NO 4429 CONFIDENCE standard compound; INTERNAL_ID 561; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4395; ORIGINAL_PRECURSOR_SCAN_NO 4394 CONFIDENCE standard compound; INTERNAL_ID 561; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4423; ORIGINAL_PRECURSOR_SCAN_NO 4422 CONFIDENCE standard compound; INTERNAL_ID 561; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4416; ORIGINAL_PRECURSOR_SCAN_NO 4414 CONFIDENCE standard compound; INTERNAL_ID 561; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4408; ORIGINAL_PRECURSOR_SCAN_NO 4406
Sulisobenzone
C1892 - Chemopreventive Agent > C851 - Sunscreen CONFIDENCE standard compound; INTERNAL_ID 260; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3788; ORIGINAL_PRECURSOR_SCAN_NO 3785 CONFIDENCE standard compound; INTERNAL_ID 260; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3786; ORIGINAL_PRECURSOR_SCAN_NO 3783 CONFIDENCE standard compound; INTERNAL_ID 260; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3807; ORIGINAL_PRECURSOR_SCAN_NO 3805 CONFIDENCE standard compound; INTERNAL_ID 260; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3851; ORIGINAL_PRECURSOR_SCAN_NO 3849 CONFIDENCE standard compound; INTERNAL_ID 260; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3796; ORIGINAL_PRECURSOR_SCAN_NO 3793
ascidiathiazone A
An organic heterotricyclic compound, that is 3,4-dihydro-2H-[1,4]thiazino[2,3-g]quinoline-5,10 dione S,S-dioxide substituted at position 7 by a carboxyl group. It is an anti-inflmmatory alkaloid obtained from Aplidium.
7-(2,3-dihydroxy-3-methylbutylloxy)-5,6-methylenedioxycoumarin
6,7-dihydroxy-3-(1-hydroxy-3-oxo-butyl)-4-oxo-chromene-5-carboxylic acid
1,2,3,4-tetrahydro-6,7-dihydroxy-1-(4-hydroxycinnamylidene)naphthalen-2-one
2-Allyl-3,6-dihydroxy-7,8-dimethyl-1,4-phenanthrenedione #
1,2,3-Trihydroxy-6-methoxy-7-chloro-9H-xanthene-9-one
2-(1,3-Benzodioxole-5-yl)-3-methyl-5-(2-oxopropyl)benzofuran
(E)-5-(alpha-carboxybenzylidene)-4-hydroxy-3-phenylfuran-2(5H)-one|Pulvinic acid|Pulvinic-acid|Pulvinicsaeure|Pulvinsaeure
2-Acetonyl-6,7-dihydroxy-3-hydroxymethyl-4-oxo-4H-chromen-5-carbonsaeure|2-acetonyl-6,7-dihydroxy-3-hydroxymethyl-4-oxo-4H-chromene-5-carboxylic acid
3-(4-Hydroxyphenyl)-trans-propenoic acid-2,3-dihydroxypropyl ester
2-Me ether-2,9,11-Trihydroxy-12H-benzo[a]xanthen-12-one
3-Phenyl-5-methoxy-8-hydroxy-2H-furo[3,2-b][1]benzopyran-2-one
5-hydroxy-3-(4-hydroxylphenyl)pyrano[3,2-g]chromene-4(8h)-one
(1R,9R)-4,6-dihydroxy-1-methyl-1-(2-methylbutanoyl)-3-oxo-1,3-dihydro-2-benzofuran-5-carboxylic acid|ascolactone A
2-(4-Hydroxyphenyl)-7-methoxy-5-(1-propenyl)-3-benzofurancarboxaldehyde|3-formyl-2-(4-hydroxyphenyl)-7-methoxy-5-(E)-propenylbenzofuran
4-(2,3-Dihydroxy-3-methylbutoxy)-6H-1,3-dioxolo[4,5-g][1]benzopyran-6-one
moracin SC|[2,3:6,7]-(6,6-dimethylpyrano)-2-(3,5-dihydroxyphenyl)benzofuran
2-isopropenyl-9-methoxy-1,8-dioxa-dicyclopenta[b,g]naphthalene-4,10-dione
6-(3-Hydroxybuty)-7-methoxy-2,3,5-trihydroxy-1,4-naphthoquinone
((E)-3,5-Dioxo-4-phenyl-dihydro-[2]furyliden)-phenyl-essigsaeure|((E)-3,5-dioxo-4-phenyl-dihydro-[2]furylidene)-phenyl-acetic acid|(3,5-dioxo-4-phenyl-dihydro-furan-2-ylidene)-phenyl-acetic acid|(3,5-Dioxo-4-phenyl-dihydro-[2]furyliden)-phenyl-essigsaeure|(3,5-dioxo-4-phenyl-dihydro-[2]furylidene)-phenyl-acetic acid|Pulvinsaeure
5-O-feruloyl-2-deoxy-D-ribono-gamma-lactone|[(2R,3S)-1,2,3,4-tetrahydro-3-hydroxy-5-oxofuran-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
1,1,1-TRICHLORO-4-HYDROXY-11-METHYLDODECA-3,5,7,9-TETRAEN-2-ONE
Moracin G
alprazolam
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent CONFIDENCE standard compound; INTERNAL_ID 1570
Benzophenone-4
CONFIDENCE standard compound; INTERNAL_ID 2867 CONFIDENCE standard compound; INTERNAL_ID 8802 CONFIDENCE standard compound; INTERNAL_ID 8220 CONFIDENCE standard compound; INTERNAL_ID 4183 CONFIDENCE Reference Standard (Level 1)
Sotalol hydrochloride
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents C93038 - Cation Channel Blocker
dUMP
A pyrimidine 2-deoxyribonucleoside 5-monophosphate having uracil as the nucleobase.
3,7,8-trihydroxy-3-methyl-10-oxo-1,4-dihydropyrano[4,3-b]chromene-9-carboxylic acid
clobenpropit
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists
(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one
2-Naphthanilide
CONFIDENCE standard compound; INTERNAL_ID 756; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4748; ORIGINAL_PRECURSOR_SCAN_NO 4744 CONFIDENCE standard compound; INTERNAL_ID 756; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4757; ORIGINAL_PRECURSOR_SCAN_NO 4755 CONFIDENCE standard compound; INTERNAL_ID 756; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4752; ORIGINAL_PRECURSOR_SCAN_NO 4751 CONFIDENCE standard compound; INTERNAL_ID 756; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4760; ORIGINAL_PRECURSOR_SCAN_NO 4755 CONFIDENCE standard compound; INTERNAL_ID 756; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4775; ORIGINAL_PRECURSOR_SCAN_NO 4771
4-Amino-2,5-dimethoxy-N-phenylbenzenesulfonamide
C14H16N2O4S (308.08307360000003)
CONFIDENCE standard compound; INTERNAL_ID 974; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3519; ORIGINAL_PRECURSOR_SCAN_NO 3515 CONFIDENCE standard compound; INTERNAL_ID 974; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3526; ORIGINAL_PRECURSOR_SCAN_NO 3524 CONFIDENCE standard compound; INTERNAL_ID 974; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3537; ORIGINAL_PRECURSOR_SCAN_NO 3535 CONFIDENCE standard compound; INTERNAL_ID 974; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3517; ORIGINAL_PRECURSOR_SCAN_NO 3515 CONFIDENCE standard compound; INTERNAL_ID 974; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3534; ORIGINAL_PRECURSOR_SCAN_NO 3531 CONFIDENCE standard compound; INTERNAL_ID 974; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3552; ORIGINAL_PRECURSOR_SCAN_NO 3549
(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one_major
Moracin D
D-Erythroascorbic acid 1'-a-D-glucoside
4-(4-hydroxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol
5,6-dihydroxy-3-(hydroxymethyl)-2-oxocyclohex-3-en-1-yl 2-hydroxy-6-methylbenzoate
Glyinflanin H
A chromenol that is 2,2-dimethyl-2H-chromen-5-ol substituted by a 6-hydroxy-1-benzofuran-2-yl group at position 6.
Domar
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
N-(1-Ethyl-1,2,3,4-tetrahydro-7-quinolinyl)-1,1,1-trifluoro-methanesulfonamide
(3-(Benzylamino)-5-nitrophenyl)boronic acid hydrochloride
C13H14BClN2O4 (308.07351040000003)
Pyrimido[4,5-g]quinazoline-4,9-dione,2-(chloromethyl)-1,6-dihydro-5,10-dihydroxy-7-methyl- (9CI)
C12H9ClN4O4 (308.03123039999997)
4-DIETHYLPHOSPHONO-(O-METHANESULFONYL)PHENOL
C11H17O6PS (308.04834320000003)
ETHYL 5-BROMO-1-(4-METHYLPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
Propanimidic acid,3,3-dithiobis-, 1,1-dimethyl ester, hydrochloride (1:2)
C8H18Cl2N2O2S2 (308.01867080000005)
5-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile
2-bromo-trans-beta-styrylboronic acid pinacol ester
4-methyl-2-phenylchromenylium,tetrafluoroborate
C16H13BF4O (308.09955260000004)
2,6-Bis(2-hydroxyethylamino)toluene sulfate
C11H20N2O6S (308.10420200000004)
ethyl 3-(4-bromophenyl)-1-methyl-1h-pyrazole-5-carboxylate
(4-Methylumbelliferone)-β-D-xylopyranoside
4-Methylumbelliferyl-β-D-xylopyranoside (MuX) can be used as substrate for the research of β-Xylosidase activity. 4-Methylumbelliferyl-β-D-xylopyranoside shows burst, steady-state kinetics, which supports the conclusion that hydrolysis of the glycosidic bonds for the substrate 4-Methylumbelliferyl-β-D-xylopyranoside is rapid[1][2].
2-((tert-Butyldimethylsilyl)oxy)ethyl trifluoromethanesulfonate
C9H19F3O4SSi (308.07253699999995)
5-(4-bromophenyl)-1-(tetrahydro-2H-pyran-2-yl)tetrazole
3-CHLORO-6,11-DIHYDRO-5,5-DIOXO-11-AMINO-6-METHYLDIBENZO[C,F][1,2]THIAZEPINE
C14H13ClN2O2S (308.03862280000004)
ETHYL 2-(4-HYDROXY-3-NITROPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE
ETHYL 4-(4-CHLOROPHENYL)-5-CYANAMIDE-4,5-DIHYDRO-1,3,4-THIADIAZOLE-2-CARBOXYLATE
4-(4-CHLOROPHENYL)-5-(PIPERIDIN-1-YLMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
1-(3-Chlorophenyl)-4-(3-Chloropropyl)Piperazine Hydrochloride
C13H19Cl3N2 (308.06137440000003)
2-ACETYL-2H-INDAZOL-7-YL TRIFLUOROMETHANESULFONATE
C10H7F3N2O4S (308.00786180000006)
Ethyl 2-(piperidin-1-yl)-4-trifluoromethyl-1,3-thiazole-5-carboxylate
4,5-DIHYDRO-7-[3-(TRIFLUOROMETHYL)PHENYL]PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE
C14H11F3N4O (308.08849119999996)
Benzene,1,1-[(1E)-1,2-ethenediylbis(sulfonyl)]bis-
1-MERCAPTO-4-(3-METHYLPHENYL)[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5(4H)-ONE
C16H12N4OS (308.07317820000003)
1-benzoyl-3,5-bis(trifluoromethyl)pyrazole
C12H6F6N2O (308.03842979999996)
Nimustine HCL
C9H14Cl2N6O2 (308.05552439999997)
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents
6-amino-3-(2,6-dichlorophenyl)-1-methylpyrazolo[1,5-a]pyrimidin-2-one
3-(2-CARBOXYPHENYL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
Benzeneacetic acid,4-chloro-a-(4-chlorophenyl)-, ethyl ester
4-bromo-trans-beta-styrylboronic acid pinacol ester
(4R,12aS)-7-Methoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-[1,3]oxazino[3,2-d]pyrido[1,2-a]pyrazine-9-carboxylic acid
diethyl 2-[(3-nitroanilino)methylidene]propanedioate
4-hydroxy-3-[3-oxo-1-(2,3,4,5,6-pentadeuteriophenyl)butyl]chromen-2-one
ethyl 1-(5-chlorobenzo[d]oxazol-2-yl)piperidine-4-carboxylate
C15H17ClN2O3 (308.09276420000003)
Pyrimido[1,2-a]benzimidazol-4-amine, N-(4-chlorophenyl)-2-methyl- (9CI)
Azoramide
Azoramide is a potent, orally active small-molecule modulator of the unfolded protein response (UPR). Azoramide improves ER protein folding and elevates ER chaperone capacity, which together protects cells against ER stress. Azoramide alleviates PLA2G6 mutant-induced ER stress through modulating unfolded protein response, and enhances the CERB signaling to rescue mitochondrial function, thereby preventing apoptosis of DA neurons. Azoramide has antidiabetic activity[1][2].
1-[(4-NITROBENZYLOXY)CARBONYL]-PIPERIDINE-2-CARBOXYLIC ACID
1-(2-CHLORO-6-FLUOROBENZYL)-1-METHOXY-3-PHENYLUREA
3-[3-(4-FLUORO-PHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]-ACRYLIC ACID
4-Fluoro-N-Methyl-N-piperidin-4-yl-benzenesulfonaMide hydro、chloride
[1-(4-Fluoro-benzenesulfonyl)-piperidin-3-yl]-Methyl-aMine hydrochloride
N-(4,5-DIMETHYL-3-PHENYL-3H-THIAZOL-2-YLIDENE)-BENZAMIDE
3-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-benzoic acid
2-BROMO-1-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)ETHAN-1-ONE
4-(8-Fluoro-3,4,5,6-tetrahydro-6-oxo-1H-azepino[5,4,3-cd]indol-2-yl)benzaldehyde
Methyl 2-chloro-4-morpholinopyrido[2,3-d]pyrimidine-7-carboxylate
5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyridin-2-amine
C14H11F3N4O (308.08849119999996)
N-(4,6-DIMETHYL-2-PYRIMIDINYL)-4-NITROBENZENESULFONAMIDE
5-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-2-FURALDEHYDE
C13H6F6O2 (308.02719679999996)
Manitimus
C15H11F3N2O2 (308.07725819999996)
C308 - Immunotherapeutic Agent > C574 - Immunosuppressant
D-Gluco-2,5-anhydro-1-deoxy-1-phosphonohexitol-6-phosphate
Resveratrol-3-O-sulfate
An organic sulfate that is the 3-O-sulfate derivative of trans-resveratrol. D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D020011 - Protective Agents > D000975 - Antioxidants D004791 - Enzyme Inhibitors
1,5-Aedans
C14H16N2O4S (308.08307360000003)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
Piperidine, 1-((2,3-dihydro-2,3-dioxo-1H-indol-5-yl)sulfonyl)-4-methyl-
C14H16N2O4S (308.08307360000003)
2,5-Dihydroxy-3-(4-hydroxyphenyl)-6-phenylcyclohexa-2,5-diene-1,4-dione
1-(4-Methylphenyl)-2-[(1-phenyl-2-imidazolyl)thio]ethanone
2-(3-Methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
C16H12N4OS (308.07317820000003)
6-(4-Methoxyphenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
C16H12N4OS (308.07317820000003)
4-hydroxy-7-methyl-9-phenylpyrido[2,3:4,5]thieno[2,3-b]pyridin-2(1H)-one
N-(2,4-difluorophenyl)-6-(propylthio)-3-pyridinecarboxamide
C15H14F2N2OS (308.07948580000004)
2,5-Pyrrolidinedione, 1,1-(1,6-dioxo-1,6-hexanediyl)bis-
(S)-N-[3-(Trifluoromethyl)-4-nitrophenyl]-2-methyl-2,3-dihydroxypropionamide
4-(Aminosulfonyl)-N-[(4-fluorophenyl)methyl]-benzamide
pinazepam
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
N-Acetylneuraminate
A ketoaldonate that is the conjugate base of N-acetylneuraminic acid, obtained by deprotonation of the carboxy group.
N-Acetyl-beta-neuraminate
A monocarboxylic acid anion resulting from deprotonation of the carboxy group of N-acetyl-beta-neuraminic acid. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
N-Acetyl-alpha-neuraminate
A monocarboxylic acid anion that is the conjugate base of N-acetyl-alpha-neuraminic acid.
6-(2-Amino-2-carboxyethyl)-1,2,3,4-tetrahydroquinoline-2,4-dicarboxylic acid
2-[2-(1,3-Dioxan-2-yl)ethanesulfinyl]-5-phenyl-1,3,4-oxadiazole
C14H16N2O4S (308.08307360000003)
[(3S)-4-(5-methylhexanoyl)-5-oxooxolan-3-yl]methyl dihydrogen phosphate
1-[(2E)-2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]pyrrolidin-1-ium-2-carboxylate
D004396 - Coloring Agents > D050858 - Betalains
(S)-4-(2-((S)-2-Carboxypyrrolidin-1-yl)vinyl)-2,3-dihydropyridine-2,6-dicarboxylic acid
2-[(2-Ethoxy-2-oxoethyl)thio]-1-benzimidazolecarboxylic acid ethyl ester
C14H16N2O4S (308.08307360000003)
2-(2-Methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
C16H12N4OS (308.07317820000003)
5-(2-methylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione
C14H16N2O4S (308.08307360000003)
N-[4-(2-pyrimidinylsulfamoyl)phenyl]carbamic acid methyl ester
4-methyl-N-[4-(2-methyl-4-thiazolyl)phenyl]benzamide
7-(thiophen-2-yl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
C16H12N4OS (308.07317820000003)
S-(4-chlorophenyl) 3,4-dimethoxybenzenecarbothioate
C15H13ClO3S (308.02738980000004)
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
1-[2-(4-Chlorophenyl)ethyl]-3-(4-fluorophenyl)thiourea
C15H14ClFN2S (308.05502060000003)
5-(4-bromophenyl)-N-propan-2-yl-3-isoxazolecarboxamide
5-Phenyl-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)methyl]oxazole
C16H12N4OS (308.07317820000003)
2-[(2-Chloro-4-nitroanilino)methyl]-6-methoxyphenol
2-[[(4-Phenyl-1,2,4-triazol-3-yl)thio]methyl]imidazo[1,2-a]pyrimidine
C15H12N6S (308.08441120000003)
3-(3-methylphenyl)-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one
4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid methyl ester
C14H16N2O4S (308.08307360000003)
(E)-1-(2,4-dichlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one
N-formyl-L-methionyl-L-methionine
C11H20N2O4S2 (308.08644400000003)
A dipeptide that is L-methionyl-L-methionine (Met-Met) in which the nitrogen of the N-terminal amino group has been converted into the corresponding formamide.
12-Sulfooxy-9,10-dihydrojasmonic acid
C12H20O7S (308.09296900000004)
A dihydrojasmonic acid that is 9,10-dihydrojasmonic acid in which one of the methyl hydrogens at position 12 has been replaced by a sulfooxy group.
11-Sulfooxy-9,10-dihydrojasmonic acid
C12H20O7S (308.09296900000004)
A dihydrojasmonic acid that is 9,10-dihydrojasmonic acid in which one of the methylene hydrogens at position 11 has been replaced by a sulfooxy group.
2-(2-imino-3-thiazolyl)-N-(2-methoxy-4-nitrophenyl)acetamide
(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
4-[3-(3,4-Dihydroxyphenyl)-2-hydroxypropyl]benzene-1,2,3,5-tetrol
2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
C12H12N4O6 (308.07568119999996)
(Z)-2-cyano-N-(3-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide
(R)-5-Diphosphomevalonic acid
The 5-diphospho derivative of (R)-mevalonic acid.
Liarozole
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000726 - Androgen Antagonists C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents D003879 - Dermatologic Agents D004791 - Enzyme Inhibitors
1-(2-Hydroxyethyloxymethyl)-6-phenyl thiothymine
C14H16N2O4S (308.08307360000003)
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors
(3S)-3-hydroxy-5-{[hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylpentanoic acid
4R,5R,6S-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one 6-(2-hydroxy-6-methylbenzoate)
(1S,2R,3S)-2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol
bisphenol A sulfate
C15H16O5S (308.07184060000003)
An aryl sulfate that is bisphenol A in which of the hydroxy groups is substituted by a sulfooxy group. It is a metabolite of bisphenol A that is excreted in human urine.
IC87201
IC87201, an inhibitor of PSD95-nNOS protein-protein interactions, suppresses NMDAR-dependent NO and cGMP formation.
TC-S 7009
TC-S 7009 is a potent and selective HIF-2α inhibitor with a Kd of 81 nM. TC-S 7009 is more selective for HIF-2α than HIF-1α (Kd ? 5 μM). TC-S 7009 disrupts HIF-2α heterodimerization, decreases DNA-binding activity, and reduces HIF-2α target gene expression[1][2].
7-hydroxy-1-methyl-2-(3-oxobutyl)anthracene-9,10-dione
3-chloro-6,8-dihydroxy-2,2-dimethyl-3h,4h-naphtho[2,3-b]pyran-5,10-dione
(3-hydroxy-5-oxooxolan-2-yl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
methyl 8,11-dihydroxy-3-methyl-7-oxo-2,4,9-trioxatricyclo[8.4.0.0³,⁸]tetradeca-1(14),5,10,12-tetraene-13-carboxylate
(2s)-4-[(1e)-2-[(2s)-2-carboxypyrrolidin-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
methyl 5,6,10-trihydroxy-4-methyl-8-oxo-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(13),9,11-triene-6-carboxylate
3-(2-hydroxy-4-methoxy-5-{5-methyl-4-oxo-3,6-dioxabicyclo[3.1.0]hexan-2-yl}phenyl)propanoic acid
(1r,4s,6s,8s,13r,14r)-8-hydroxy-6,11-dimethyl-5,9,15,17-tetraoxapentacyclo[11.2.2.0¹,¹⁴.0⁴,⁶.0⁸,¹²]heptadec-11-ene-10,16-dione
(1r,13r)-7,11,17,19,23-pentaoxahexacyclo[11.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]tricosa-2(10),3,5,8,14,16(20),21-heptaene
6,7-dihydroxy-4-oxo-3-(3-oxobutanoyl)-2,3-dihydro-1-benzopyran-5-carboxylic acid
(4as)-4a,8-dihydroxy-1,4-dimethyl-2h,3h-cyclopenta[b]anthracene-5,10-dione
(2s)-4-{2-[(2s)-2-carboxypyrrolidin-1-yl]ethenyl}-2,3-dihydropyridine-2,6-dicarboxylic acid
(1r,4s,6s,8r,13r,14r)-8-hydroxy-6,11-dimethyl-5,9,15,17-tetraoxapentacyclo[11.2.2.0¹,¹⁴.0⁴,⁶.0⁸,¹²]heptadec-11-ene-10,16-dione
6-butanoyl-1-hydroxy-7-methylphenanthrene-9,10-dione
2-(4-hydroxyphenyl)-5-methoxyfuro[2,3-h]chromen-4-one
(1r,2s,6r,10r,11r,14r)-10,14-dihydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.0¹,⁵.0⁶,¹⁰]pentadec-4-ene-3,9,13-trione
1,8-dihydroxy-3-methyl-1,2,3,4-tetrahydrotetraphene-7,12-dione
(3s)-8-hydroxy-3-methyl-3,4,5,6-tetrahydro-2h-tetraphene-1,7,12-trione
(2e)-3-{2'-hydroxy-4-methoxy-5'-[(1e)-3-oxoprop-1-en-1-yl]-[1,1'-biphenyl]-3-yl}prop-2-enal
(1r)-2-oxo-3,4-dehydroneomajucin
{"Ingredient_id": "HBIN003031","Ingredient_name": "(1r)-2-oxo-3,4-dehydroneomajucin","Alias": "NA","Ingredient_formula": "C15H16O7","Ingredient_Smile": "CC1C(=O)C=C2C13C)C(C4(C2(COC4=O)C)O)OC(=O)C3O","Ingredient_weight": "308.28 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16297","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11522412","DrugBank_id": "NA"}
(1s)-2-oxo-3,4-dehydroneomajucin
{"Ingredient_id": "HBIN003195","Ingredient_name": "(1s)-2-oxo-3,4-dehydroneomajucin","Alias": "NA","Ingredient_formula": "C15H16O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16298","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-(3,4-methylenedioxyphenyl)-3-methyl-5-(2-oxopropyl)benzofuran
{"Ingredient_id": "HBIN003889","Ingredient_name": "2-(3,4-methylenedioxyphenyl)-3-methyl-5-(2-oxopropyl)benzofuran","Alias": "NA","Ingredient_formula": "C19H16O4","Ingredient_Smile": "CC1=C(OC2=C1C=C(C=C2)CC(=O)C)C3=CC4=C(C=C3)OCO4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14373","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-(4-hydroxyphenyl)-trans-propenoicacid-2,3-dihydroxypropyl ester
{"Ingredient_id": "HBIN007487","Ingredient_name": "3-(4-hydroxyphenyl)-trans-propenoicacid-2,3-dihydroxypropyl ester","Alias": "NA","Ingredient_formula": "C15H16O7","Ingredient_Smile": "CCC(=O)OC(=C(C(=O)O)OC(=O)CC)C1=CC=C(C=C1)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15899","TCMID_id": "10635","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-hydroxy,3-methoxy furo[8,7:4'',5'']flavone
{"Ingredient_id": "HBIN012399","Ingredient_name": "6-hydroxy,3-methoxy furo[8,7:4'',5'']flavone","Alias": "NA","Ingredient_formula": "C18H12O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10406","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-chloro-1,2,3-trihydroxy-6-methoxyxanthone
{"Ingredient_id": "HBIN013134","Ingredient_name": "7-chloro-1,2,3-trihydroxy-6-methoxyxanthone","Alias": "NA","Ingredient_formula": "C14H9ClO6","Ingredient_Smile": "COC1=C(C=C2C(=C1)OC3=CC(=C(C(=C3C2=O)O)O)O)Cl","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3573","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
allamandin
{"Ingredient_id": "HBIN015189","Ingredient_name": "allamandin","Alias": "NA","Ingredient_formula": "C15H16O7","Ingredient_Smile": "CC=C1C2C3(C=CC4C3C(O2)OC(C4C(=O)OC)O)OC1=O","Ingredient_weight": "308.28 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "913","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "6436806","DrugBank_id": "NA"}
allamansicin
{"Ingredient_id": "HBIN015190","Ingredient_name": "allamansicin","Alias": "NA","Ingredient_formula": "C15H16O7","Ingredient_Smile": "CC(C1C2C3(C=CC4C3C(O2)OC=C4C(=O)OC)OC1=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "914","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
11-methoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,4,9,11,14,16,18-heptaen-13-one
9-(2,3-dihydroxy-3-methylbutoxy)-2h-[1,3]dioxolo[4,5-g]chromen-6-one
12-(2h-1,3-benzodioxol-5-yl)-3,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1,4,6,8-tetraen-10-one
3,7,8-trihydroxy-3-methyl-10-oxo-1h,4h-pyrano[4,3-b]chromene-6-carboxylic acid
5-hydroxy-11-methoxy-2-methylindeno[5,6-h]chromene-4,10-dione
(2s)-5-hydroxy-2-[(s)-hydroxy[(3r)-5-oxooxolan-3-yl]methyl]-2-(hydroxymethyl)-3h-1-benzopyran-4-one
methyl (12r)-12-hydroxy-6-oxoindolo[2,1-b]quinazoline-12-carboxylate
(1r,2r,6r,10r,11r,14r)-10,14-dihydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.0¹,⁵.0⁶,¹⁰]pentadec-4-ene-3,9,13-trione
(12r)-12-(2h-1,3-benzodioxol-5-yl)-3,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1,4,6,8-tetraen-10-one
methyl 11-ethylidene-6-hydroxy-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-ene-5-carboxylate
(2s)-2-carboxy-1-{2-[(2s)-2-carboxy-6-carboxylato-2,3-dihydro-1h-pyridin-4-ylidene]ethylidene}-1λ⁵-pyrrolidin-1-ylium
4,6,7-trihydroxy-3-(3-oxobutanoyl)-2h-chromene-5-carboxylic acid
methyl 2-chloro-1,8-dihydroxy-9-oxocyclopenta[b]chromene-1-carboxylate
(5r)-3,4-dihydroxy-5-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5h-furan-2-one
4,4,5,10-tetraoxo-1h,2h,3h-4λ⁶-[1,4]thiazino[3,2-g]quinoline-7-carboxylic acid
5,8-dihydroxy-6-(hydroxymethyl)-7-[(2r)-2-hydroxypropyl]-2-methoxynaphthalene-1,4-dione
(3s)-3,6,7-trihydroxy-3-methylcyclohexa[a]fluorene-4,11-dione
(2s)-5-hydroxy-2-(hydroxymethyl)-2-[(2s,3r)-3-(hydroxymethyl)-5-oxooxolan-2-yl]-3h-1-benzopyran-4-one
6,7-dihydroxy-3-(1-hydroxy-3-oxobutyl)-4-oxochromene-5-carboxylic acid
8-chloro-7-(hexa-2,4-diyn-1-ylidene)-9-hydroxy-1,6-dioxaspiro[4.4]non-2-en-4-yl acetate
6-hydroxy-3-(hydroxymethyl)-2-methyl-3-(methylsulfanyl)-10h,10ah-pyrazino[1,2-a]indole-1,4-dione
C14H16N2O4S (308.08307360000003)
5,8-dihydroxy-6-(hydroxymethyl)-7-(2-hydroxypropyl)-2-methoxynaphthalene-1,4-dione
(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)(phenyl)acetic acid
1,8-dihydroxy-3-methyl-5h-6-oxatetraphene-7,12-dione
[(2e,4r)-3,5-dioxo-4-phenyloxolan-2-ylidene](phenyl)acetic acid
(1s,13s)-7,11,17,19,23-pentaoxahexacyclo[11.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]tricosa-2(10),3,5,8,14,16(20),21-heptaene
methyl 1,8-dihydroxy-4,6,7-trimethoxynaphthalene-2-carboxylate
(3s,4ar,10ar)-3,6,9-trihydroxy-7-methoxy-3-methyl-1h,4h,4ah,10ah-naphtho[2,3-c]pyran-5,10-dione
[(2r,3s)-3-hydroxy-5-oxooxolan-2-yl]methyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(3r)-6-hydroxy-3-(hydroxymethyl)-2-methyl-3-(methylsulfanyl)-10h,10ah-pyrazino[1,2-a]indole-1,4-dione
C14H16N2O4S (308.08307360000003)
4,6-dihydroxy-1-methyl-1-(2-methylbutanoyl)-3-oxo-2-benzofuran-5-carboxylic acid
[(2s)-2-[(3r,5s)-3,5-dihydroxy-2-oxopyrrolidin-1-yl]-2,5-dihydrofuran-3-yl]methyl 1h-pyrrole-2-carboxylate
(1s,13r)-7,11,17,19,23-pentaoxahexacyclo[11.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]tricosa-2(10),3,5,8,14,16(20),21-heptaene
(1s,3s,7r,8r,12s,14s,16r)-16-hydroxy-14-methyl-9-methylidene-2,6,11,17-tetraoxapentacyclo[12.2.1.0³,⁷.0⁷,¹⁶.0⁸,¹²]heptadecane-5,10-dione
methyl (12s)-12-hydroxy-6-oxoindolo[2,1-b]quinazoline-12-carboxylate
[(2e)-3-hydroxy-5-oxo-4-phenylfuran-2-ylidene](phenyl)acetic acid
(3r,4as,10as)-3,6,9-trihydroxy-7-methoxy-3-methyl-1h,4h,4ah,10ah-naphtho[2,3-c]pyran-5,10-dione
5-chloro-2-[3-(dichloromethylidene)hexyl]benzene-1,3-diol
(4r,5s,7e,8s,9r)-8-chloro-7-(hexa-2,4-diyn-1-ylidene)-9-hydroxy-1,6-dioxaspiro[4.4]non-2-en-4-yl acetate
4-[(2r)-2,3-dihydroxy-3-methylbutoxy]-2h-[1,3]dioxolo[4,5-g]chromen-6-one
(1r,11r)-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.0¹,⁹.0³,⁸]pentadeca-3,5,7-triene-10,14-dione
(2r,3s)-3,5-dihydroxy-7-(hydroxymethyl)-2-methyl-2-[(2s)-5-oxooxolan-2-yl]-3h-1-benzopyran-4-one
3,5-dihydroxy-7-(hydroxymethyl)-2-methyl-2-(5-oxooxolan-2-yl)-3h-1-benzopyran-4-one
5,7-dihydroxy-3-[(1s,3r,4r)-1,3,4-trihydroxycyclohexyl]chromen-4-one
(4s)-4,7,8-trihydroxy-10-phenyl-3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaen-2-one
(1r,2s,11r,14r)-10,14-dihydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.0¹,⁵.0⁶,¹⁰]pentadec-4-ene-3,9,13-trione
4-(2,3-dihydroxy-3-methylbutoxy)-2h-[1,3]dioxolo[4,5-f]chromen-7-one
5-hydroxy-3-(4-hydroxyphenyl)-8h-pyrano[3,2-g]chromen-4-one
(1s,3s,7r,8r,12s,14r,16r)-16-hydroxy-14-methyl-9-methylidene-2,6,11,17-tetraoxapentacyclo[12.2.1.0³,⁷.0⁷,¹⁶.0⁸,¹²]heptadecane-5,10-dione
(3r,4ar,10ar)-3,6,9-trihydroxy-7-methoxy-3-methyl-1h,4h,4ah,10ah-naphtho[2,3-c]pyran-5,10-dione
(1s,3s,4ar,9ar)-1,8,9a-trihydroxy-4a-(hydroxymethyl)-3-methyl-2,3-dihydro-1h-xanthene-4,9-dione
11-hydroxy-5,10-dimethyl-8,14,16,17-tetraoxapentacyclo[10.2.2.1⁴,⁷.0¹,¹³.0⁷,¹¹]heptadec-5-ene-9,15-dione
6-hydroxy-3-methoxy-2-phenylfuro[2,3-h]chromen-4-one
9-[(2r)-2,3-dihydroxy-3-methylbutoxy]-2h-[1,3]dioxolo[4,5-g]chromen-6-one
16-methoxy-5-(prop-1-en-2-yl)-4,14-dioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1(9),3(7),5,10,12,15-hexaene-2,8-dione
[(2r,3r,5r)-3-hydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxyphosphonic acid
(3s)-6,7-dihydroxy-3-[(1z)-1-hydroxy-3-oxobut-1-en-1-yl]-4-oxo-2,3-dihydro-1-benzopyran-5-carboxylic acid
(1s,10r,11s,13r,16r)-7,10,11,16-tetrahydroxy-13-methyl-2,14-dioxatetracyclo[11.2.1.0¹,¹⁰.0³,⁸]hexadeca-3,5,7-trien-9-one
3,6,9-trihydroxy-7-methoxy-3-methyl-1h,4h,4ah,10ah-naphtho[2,3-c]pyran-5,10-dione
(12r)-12-(2h-1,3-benzodioxol-5-yl)-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1,3,6,8-tetraen-10-one
methyl (1r,4r,8s,10s,11s,14s)-11-[(1s)-1-hydroxyethyl]-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate
[2-(3,5-dihydroxy-2-oxopyrrolidin-1-yl)-2,5-dihydrofuran-3-yl]methyl 1h-pyrrole-2-carboxylate
(1r)-4,6-dihydroxy-1-methyl-1-[(2r)-2-methylbutanoyl]-3-oxo-2-benzofuran-5-carboxylic acid
(3r)-3-chloro-6,8-dihydroxy-2,2-dimethyl-3h,4h-naphtho[2,3-b]pyran-5,10-dione
8-amino-2-carbamoyl-7-chloro-n-methyl-5,6-dioxoquinoline-4-carboximidic acid
C12H9ClN4O4 (308.03123039999997)