Exact Mass: 308.0555

Exact Mass Matches: 308.0555

Found 500 metabolites which its exact mass value is equals to given mass value 308.0555, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Alprazolam

12-chloro-3-methyl-9-phenyl-2,4,5,8-tetraazatricyclo[8.4.0.0²,⁶]tetradeca-1(10),3,5,8,11,13-hexaene

C17H13ClN4 (308.0829)

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 (GABA_A) 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

4-hydroxy-3-[(1R)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-2-one

C19H16O4 (308.1049)

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

{[(2R,3S,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid

C9H13N2O8P (308.041)

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

N-[(4-chlorophenyl)methyl]{[3-(1H-imidazol-5-yl)propyl]sulfanyl}methanimidamide

C14H17ClN4S (308.0862)

D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists

1,4,6-Heptatrien-3-one, 5-hydroxy-1,7-bis(4-hydroxyphenyl)-

(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one

C19H16O4 (308.1049)

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

(3r)-3-Hydroxy-5-{[(R)-Hydroxy(Phosphonooxy)phosphoryl]oxy}-3-Methylpentanoic Acid

C6H14O10P2 (308.0062)

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

(2S)-2-carboxy-1-{2-[(2S)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-1lambda5-pyrrolidin-1-ylium

C14H16N2O6 (308.1008)

D004396 - Coloring Agents > D050858 - Betalains

Allamandin

2H,6H-1,4,5-Trioxadicyclopent[a,hi]indene-7-carboxylicacid, 3-ethylidene-3,3a,4a,7,7a,9b-hexahydro-6-hydroxy-2-oxo-, methyl ester,(3E,3aR,4aR,6R,7R,7aR,9aR,9bR)-rel-(+)-

C15H16O7 (308.0896)

p,p-Methoxychlor olefin

1,1-Bis(p-methoxyphenyl)-2,2-dichloroethylene

C16H14Cl2O2 (308.0371)

FENSULFOTHION

C11H17O4PS2 (308.0306)

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

[3S-(3alpha,3abeta,8bbeta)]-7-Bromo-1,2,3,8b-tetrahydro-3,6,8b-trimethyl-3aH-cyclopenta[b]benzofuran-3a-carboxaldehyde

C15H17BrO2 (308.0412)

Mecarbinzid

C13H16N4O3S (308.0943)

alpha-D-Ribose 1-methylphosphonate 5-phosphate

C6H14O10P2 (308.0062)

(R)-3,5-bisphosphomevalonic acid

(R)-Mevalonate 3,5-bisphosphate; (R)-3,5-Diphosphomevalonate; (R)-3,5-Bisphosphomevalonate

C6H14O10P2 (308.0062)

warfarin

(S)-Warfarin

C19H16O4 (308.1049)

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

(1E,4Z,6E)-5-Hydroxy-1,7-bis-(4-hydroxy-phenyl)-hepta-1,4,6-trien-3-one

C19H16O4 (308.1049)

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

InChI=1/C19H16O4/c1-19(2)6-5-14-15(21)7-12(9-18(14)23-19)16-8-11-3-4-13(20)10-17(11)22-16/h3-10,20-21H,1-2H

C19H16O4 (308.1049)

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

InChI=1/C17H12N2O4/c20-8-9-5-6-14(23-9)16-15-11(7-13(19-16)17(21)22)10-3-1-2-4-12(10)18-15/h1-7,18,20H,8H2,(H,21,22)

C17H12N2O4 (308.0797)

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

(1E)-1-{2-[(4E)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-1λ⁵-pyrrolidin-1-ylium-2-carboxylate

C14H16N2O6 (308.1008)

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

3,4-dihydroxy-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,5-dihydrofuran-2-one

C11H16O10 (308.0743)

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

5-(6-Hydroxy-2-benzofuranyl)-2,2-dimethyl-2H-1-benzopyran-7-ol, 9ci

C19H16O4 (308.1049)

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

5-{12-methyl-3,10-dioxatricyclo[7.5.0.0²,⁶]tetradeca-1(9),2(6),4,7,12-pentaen-4-yl}benzene-1,3-diol

C19H16O4 (308.1049)

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

6-(6-Hydroxy-2-benzofuranyl)-2,2-dimethyl-2H-1-benzopyran-5-ol, 9ci

C19H16O4 (308.1049)

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

8-(6-Hydroxy-2-benzofuranyl)-2,2-dimethyl-2H-1-benzopyran-5-ol, 9ci

C19H16O4 (308.1049)

Kanzonol U is found in herbs and spices. Kanzonol U is a constituent of Glycyrrhiza glabra (licorice)

(R)-Mevalonic acid-5-pyrophosphate

1,1,3,7-Tetrahydroxy-7-methyl-2,4-dioxa-1,3-diphosphanonan-9-Oic acid 1,3-dioxide

C6H14O10P2 (308.0062)

(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

C19H16O4 (308.1049)

(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-methylbenzoic acid)

C15H16O7 (308.0896)

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

{3-hydroxy-5-[(Z)-2-(4-hydroxyphenyl)ethenyl]phenyl}oxidanesulphonic acid

C14H12O6S (308.0355)

cis-Resveratrol 3-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).

cis-Resveratrol 4'-sulfate

{4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}oxidanesulphonic acid

C14H12O6S (308.0355)

cis-Resveratrol 4-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).

Resveratrol 3-sulfate

{3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl}oxidanesulfonic acid

C14H12O6S (308.0355)

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

{4-[(e)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}oxidanesulphonic acid

C14H12O6S (308.0355)

trans-Resveratrol 4-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).

Pinazepam

7-chloro-5-phenyl-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one

C18H13ClN2O (308.0716)

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

2-Hydroxy-4-methoxybenzophenone sulfate

(2-benzoyl-5-methoxyphenyl)oxidanesulfonic acid

C14H12O6S (308.0355)

1,7-Bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione

1,7-bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione

C19H16O4 (308.1049)

N-Succinimidyl 6-Maleimidohexanoate

2,5-dioxopyrrolidin-1-yl 6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoate

C14H16N2O6 (308.1008)

4-Methylumbelliferyl beta-D-xylopyranoside

2H-1-Benzopyran-2-one, 7-(alpha-L-arabinopyranosyloxy)-4-methyl-

C15H16O7 (308.0896)

2-Ethoxy-6(5-tetrazolyl)xanthone

2-ethoxy-6-(2H-1,2,3,4-tetrazol-5-yl)-9H-xanthen-9-one

C16H12N4O3 (308.0909)

N-(4-Methoxybenzyl)-N'-(5-nitro-1,3-thiazol-2-YL)urea

N-[(4-methoxyphenyl)methyl]-N-(5-nitro-1,3-thiazol-2-yl)carbamimidate

C12H12N4O4S (308.0579)

Dansylglycine

2-[5-(dimethylamino)naphthalene-1-sulfonamido]acetic acid

C14H16N2O4S (308.0831)

Fulvic acid

3,7,8-trihydroxy-3-methyl-10-oxo-1H,3H,4H,10H-pyrano[4,3-b]chromene-9-carboxylic acid

C14H12O8 (308.0532)

1-(2-Hydroxyethyloxymethyl)-6-phenyl thiothymine

1-[(2-hydroxyethoxy)methyl]-5-methyl-6-(phenylsulfanyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

C14H16N2O4S (308.0831)

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

6-[(3-chlorophenyl)(1H-imidazol-1-yl)methyl]-1H-1,3-benzodiazole

C17H13ClN4 (308.0829)

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

2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]hept-2-en-6-ynamide

C15H11F3N2O2 (308.0773)

Monoacetyldiglyceride

1-[2,5-bis(hydroxymethyl)-3,6-dioxo-1,4-dioxan-2-yl]-2,3-dihydroxypropyl acetate

C11H16O10 (308.0743)

N-(4-Acetamidobenzoyl)-L-glutamic acid

2-[(4-acetamidophenyl)formamido]pentanedioic acid

C14H16N2O6 (308.1008)

(2S)-2-[Acetamido(benzoyl)amino]pentanedioic acid

C14H16N2O6 (308.1008)

Nimesulide

N-(4-nitro-2-phenoxyphenyl)methanesulfonamide

C13H12N2O5S (308.0467)

2-Cyano-3-oxo-N-[4-(trifluoromethyl)phenyl]hept-6-ynamide

C15H11F3N2O2 (308.0773)

[(2S,5S)-5-(2,4-Dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate

{[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid

C9H13N2O8P (308.041)

Sulisobenzone

5-Benzoyl-4-hydroxy-2-methoxybenzene-1-sulphonic acid

C14H12O6S (308.0355)

C1892 - Chemopreventive Agent > C851 - Sunscreen

Dillanol

1,3-dihydroxy-10-methoxy-12H-5-oxatetraphen-12-one

C18H12O5 (308.0685)

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

{1-[(carboxylatomethyl)-C-hydroxycarbonimidoyl]-2-({2-[cyclohexa-1,5-diene-3,4-bis(ylium)-1-yl]-1-(hydroxyimino)ethyl}sulphanyl)ethyl}azanidyl

C13H14N3O4S (308.0705)

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.

warfarin

C19H16O4 (308.1049)

CONFIDENCE standard compound; EAWAG_UCHEM_ID 3103

Catechin hydrate

2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, monohydrate, (2R-trans)-

C15H14O6.H2O (308.0896)

(+)-catechin monohydrate is the monohydrate of (+)-catechin. It has a role as a geroprotector. It contains a (+)-catechin.

Edulin

[ 6aR,12aR, (-) ] -6a,12a-Dihydro-6H- [ 1,3 ] dioxolo [ 5,6 ] benzofuro [ 3,2-c ] furo [ 3,2-g ] [ 1 ] benzopyran

C18H12O5 (308.0685)

Poipuol

C13H15Cl3O2 (308.0138)

Pongapinnol D

C18H12O5 (308.0685)

Dihydrofusarubin

rel-(3R,4aR,10aR)-5,10-dioxo-3,4,4a,5,10,10a-hexahydro-7-methoxy-3-methyl-3,6,9-trihydroxy-1H-naphthol[2,3-c]pyran

C15H16O7 (308.0896)

Caraibical

(2alpha,3alpha,4beta,5alpha)-(+)-7-Bromo-2,3,4,5-tetrahydro-4,5,8-trimethyl-2,5-Methano-1-benzoxepin-3-carboxaldehyde

C15H17BrO2 (308.0412)

Mikamicranolide

C15H16O7 (308.0896)

methylisatoid

C17H12N2O4 (308.0797)

Brachystemidine E

C14H16N2O6 (308.1008)

(1R)-2-Oxo-3,4-dehydroneomajucin

(-)-(1R)-2-Oxo-3,4-dehydroneomajucin

C15H16O7 (308.0896)

Pongapinnol C

C18H12O5 (308.0685)

Ascocorynin

C18H12O5 (308.0685)

coniothyrione

C14H9ClO6 (308.0088)

3,4-Methylenedioxy-[2,3:7,8]furanoflavanone

3,4-Methylenedioxy- [ 2",3":7,8 ] furanoflavanone

C18H12O5 (308.0685)

Anthrakunthone

C19H16O4 (308.1049)

6-Methoxyisopongaglabol

C18H12O5 (308.0685)

Chaetominedione

C17H12N2O4 (308.0797)

(1S)-2-Oxo-3,4-dehydroneomajucin

(-)-(1S)-2-Oxo-3,4-dehydroneomajucin

C15H16O7 (308.0896)

Bisdemethoxycurcumin

1,7-bis(4-hydroxyphenyl)-1,6-Heptadiene-3,5-dione(E,E)

C19H16O4 (308.1049)

(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].

O-Methylpongamol

2,beta-Dimethoxylfurano [ 2",3":4,3 ] chalcone

C19H16O4 (308.1049)

3,5,6-Trihydroxy-7-phenyl-3H-benzo[de]isochromen-1-one

C18H12O5 (308.0685)

Didemethoxycyclocurcumin

C19H16O4 (308.1049)

nimesulide

N-(4-nitro-2-phenoxyphenyl)-methanesulfonamide

C13H12N2O5S (308.0467)

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

Maybridge4_001361

C18H16N2OS (308.0983)

CHEMBL562004

C12H12N4O4S (308.0579)

Sulisobenzone

C14H12O6S (308.0355)

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

MMV688958

C18H16N2OS (308.0983)

ascidiathiazone A

C12H8N2O6S (308.0103)

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-deoxysterigmatocystin|Antibiotic PF 1093

C18H12O5 (308.0685)

Isokigelinol

C19H16O4 (308.1049)

7-(2,3-dihydroxy-3-methylbutylloxy)-5,6-methylenedioxycoumarin

C15H16O7 (308.0896)

1,7,8-trimethoxypyren-2-ol

C19H16O4 (308.1049)

6,7-dihydroxy-3-(1-hydroxy-3-oxo-butyl)-4-oxo-chromene-5-carboxylic acid

C14H12O8 (308.0532)

cis-chondrin

C15H17BrO2 (308.0412)

Neolignan 9-nor-7,8-dehydro-isolicarin B

C19H16O4 (308.1049)

deglucosylplumieride|plumieridin|plumieridine

C15H16O7 (308.0896)

Emycin D

C19H16O4 (308.1049)

1,2,3,4-tetrahydro-6,7-dihydroxy-1-(4-hydroxycinnamylidene)naphthalen-2-one

C19H16O4 (308.1049)

(E)-7-O-Methylpongamol|E-7-O-methylpongamol

C19H16O4 (308.1049)

2-Allyl-3,6-dihydroxy-7,8-dimethyl-1,4-phenanthrenedione #

C19H16O4 (308.1049)

C18H12O5

C18H12O5 (308.0685)

1,2,3-Trihydroxy-6-methoxy-7-chloro-9H-xanthene-9-one

C14H9ClO6 (308.0088)

2-(1,3-Benzodioxole-5-yl)-3-methyl-5-(2-oxopropyl)benzofuran

C19H16O4 (308.1049)

(E)-5-(alpha-carboxybenzylidene)-4-hydroxy-3-phenylfuran-2(5H)-one|Pulvinic acid|Pulvinic-acid|Pulvinicsaeure|Pulvinsaeure

C18H12O5 (308.0685)

C19H16O4

C19H16O4 (308.1049)

Purpurasolol

C15H16O7 (308.0896)

149471-08-9

C19H16O4 (308.1049)

polivione

C14H12O8 (308.0532)

Cercidin

C14H12O8 (308.0532)

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

C14H12O8 (308.0532)

3-(4-Hydroxyphenyl)-trans-propenoic acid-2,3-dihydroxypropyl ester

C15H16O7 (308.0896)

2-Me ether-2,9,11-Trihydroxy-12H-benzo[a]xanthen-12-one

C18H12O5 (308.0685)

3-Phenyl-5-methoxy-8-hydroxy-2H-furo[3,2-b][1]benzopyran-2-one

C18H12O5 (308.0685)

5-hydroxy-3-(4-hydroxylphenyl)pyrano[3,2-g]chromene-4(8h)-one

C18H12O5 (308.0685)

(1R,9R)-4,6-dihydroxy-1-methyl-1-(2-methylbutanoyl)-3-oxo-1,3-dihydro-2-benzofuran-5-carboxylic acid|ascolactone A

C15H16O7 (308.0896)

Sabandinol

C15H16O7 (308.0896)

5-O-Caffeoylshikimic acid

C15H16O7 (308.0896)

CHEMBL496051

C19H16O4 (308.1049)

emycin C

C19H16O4 (308.1049)

2-(4-Hydroxyphenyl)-7-methoxy-5-(1-propenyl)-3-benzofurancarboxaldehyde|3-formyl-2-(4-hydroxyphenyl)-7-methoxy-5-(E)-propenylbenzofuran

C19H16O4 (308.1049)

Haptusinol

C15H16O7 (308.0896)

4-(2,3-Dihydroxy-3-methylbutoxy)-6H-1,3-dioxolo[4,5-g][1]benzopyran-6-one

C15H16O7 (308.0896)

colletopiperazine

C14H16N2O4S (308.0831)

C14H16N2O6

C14H16N2O6 (308.1008)

(+)-villosine

C15H16O7 (308.0896)

lachnone D

C15H16O7 (308.0896)

preussochromone D

C15H16O7 (308.0896)

moracin SC|[2,3:6,7]-(6,6-dimethylpyrano)-2-(3,5-dihydroxyphenyl)benzofuran

C19H16O4 (308.1049)

Busseihydroquinone A

C15H16O7 (308.0896)

rhusopolyphenol A

C15H16O7 (308.0896)

petromyzonin

C15H16O5S (308.0718)

2-hydroxyangelicain

C15H16O7 (308.0896)

jiadifenlactone A

C15H16O7 (308.0896)

Ammosamide D

C12H9ClN4O4 (308.0312)

NSC649414

C15H16O7 (308.0896)

SCHEMBL10531674

C15H16O7 (308.0896)

Ligustrone A

C18H12O5 (308.0685)

Emycin A

C19H16O4 (308.1049)

Artoristilbene

C19H16O4 (308.1049)

hydroisoflavone B

C15H16O7 (308.0896)

2-isopropenyl-9-methoxy-1,8-dioxa-dicyclopenta[b,g]naphthalene-4,10-dione

C18H12O5 (308.0685)

6-(3-Hydroxybuty)-7-methoxy-2,3,5-trihydroxy-1,4-naphthoquinone

C15H16O7 (308.0896)

7-beta-D-glucopyranosylcoumarin|skimmin

C15H16O7 (308.0896)

CHEMBL4286961

C18H12O5 (308.0685)

((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

((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

C18H12O5 (308.0685)

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

C15H16O7 (308.0896)

4-methylenedioxy[4,5:7,8]furanoflavanone

C18H12O5 (308.0685)

Imbiline 2|imbiline-2

C17H12N2O4 (308.0797)

1,2-Secodihydromicromelin

C15H16O7 (308.0896)

1,1,1-TRICHLORO-4-HYDROXY-11-METHYLDODECA-3,5,7,9-TETRAEN-2-ONE

C13H15Cl3O2 (308.0138)

Tanshinaldehyde|Tanshinonal

C19H16O4 (308.1049)

C15H13ClO5

C15H13ClO5 (308.0451)

O(C)c1c2C(=O)C=C(c3ccc(O)cc3)Oc2c2c(occ2)c1

C18H12O5 (308.0685)

Moracin G

5-{12-methyl-3,10-dioxatricyclo[7.5.0.0^{2,6}]tetradeca-1,4,6,8,12-pentaen-4-yl}benzene-1,3-diol

C19H16O4 (308.1049)

Cyclobisdemethoxycurcumin

(E)-2-(4-Hydroxyphenyl)-6-(4-hydroxystyryl)-2,3-dihydro-4H-pyran-4-one

C19H16O4 (308.1049)

alprazolam

C17H13ClN4 (308.0829)

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

C14H12O6S (308.0355)

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

C12H21ClN2O3S (308.0961)

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

2-DEOXYURIDINE 5-MONO-PHOS-PHATE

C9H13N2O8P (308.041)

dUMP

2-Deoxyuridine-5-monophosphate disodium salt

C9H13N2O8P (308.041)

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

NCGC00381178-01!3,7,8-trihydroxy-3-methyl-10-oxo-1,4-dihydropyrano[4,3-b]chromene-9-carboxylic acid

C14H12O8 (308.0532)

Proline-betaxanthin

C14H16N2O6 (308.1008)

clobenpropit

N-[(4-chlorophenyl)methyl]-3-(1H-imidazol-5-yl)propyl ester, carbamimidothioic acid, dihydrobromide

C14H17ClN4S (308.0862)

D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists

2-Deoxyuridine 5-monophosphate

C9H13N2O8P (308.041)

Deoxyuridine monophosphate

C9H13N2O8P (308.041)

(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one

C19H16O4 (308.1049)

Pulvinic acid

C18H12O5 (308.0685)

2-Naphthanilide

3-Hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide

C17H12N2O4 (308.0797)

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

4-Amino-2,5-dimethoxy-N-phenylbenzenesulphonamide

C14H16N2O4S (308.0831)

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

2'-DEOXYURIDINE 5'-MONO-PHOS-PHATE

C9H13N2O8P (308.041)

DEOXYURIDINE-MONOPHOSPHATE

C9H13N2O8P (308.041)

(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one_major

C19H16O4 (308.1049)

h_168_andarine_m

C11H11F3N2O5 (308.062)

Benzophenone_4

C14H12O6S (308.0355)

MVAPP

(±)-Mevalonic acid 5-pyrophosphate tetralithium salt

C6H14O10P2 (308.0062)

Mevalonate-PP

3R-methyl-3-hydroxypentanoic acid 5-diphosphate

C6H14O10P2 (308.0062)

Kanzonol U

5,4'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':2',3']-2-arylbenzofuran

C19H16O4 (308.1049)

Moracin D

InChI=1\C19H16O4\c1-19(2)6-5-14-15(21)7-12(9-18(14)23-19)16-8-11-3-4-13(20)10-17(11)22-16\h3-10,20-21H,1-2H

C19H16O4 (308.1049)

Moracin E

5-(6-Hydroxy-2-benzofuranyl)-2,2-dimethyl-2H-1-benzopyran-7-ol, 9ci

C19H16O4 (308.1049)

Flazin

1-[5-(Hydroxymethyl)-2-furanyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid, 9CI

C17H12N2O4 (308.0797)

D-Erythroascorbic acid 1'-a-D-glucoside

3,4-dihydroxy-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,5-dihydrofuran-2-one

C11H16O10 (308.0743)

4-(4-hydroxyphenyl)-2,3-dihydro-1H-phenalene-1,2,3-triol

(1S,2R,3S)-2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol

C19H16O4 (308.1049)

5,6-dihydroxy-3-(hydroxymethyl)-2-oxocyclohex-3-en-1-yl 2-hydroxy-6-methylbenzoate

4R,5R,6S-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one 6-(2-hydroxy-6-methylbenzoate)

C15H16O7 (308.0896)

Glyinflanin H

6,2'-Dihydroxy-6'',6''-dimethylpyrano[2'',3'':4',3']-2-arylbenzofuran

C19H16O4 (308.1049)

A chromenol that is 2,2-dimethyl-2H-chromen-5-ol substituted by a 6-hydroxy-1-benzofuran-2-yl group at position 6.

cis-Resveratrol 3-sulfate

{3-hydroxy-5-[(Z)-2-(4-hydroxyphenyl)ethenyl]phenyl}oxidanesulfonic acid

C14H12O6S (308.0355)

cis-Resveratrol 4'-sulfate

{4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}oxidanesulfonic acid

C14H12O6S (308.0355)

Resveratrol 3-sulfate

{3-hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenyl}oxidanesulfonic acid

C14H12O6S (308.0355)

trans-Resveratrol 4'-sulfate

{4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}oxidanesulfonic acid

C14H12O6S (308.0355)

Domar

7-chloro-5-phenyl-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one

C18H13ClN2O (308.0716)

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

Chlorobenzuron

C14H10Cl2N2O2 (308.0119)

YTTRIUM(III) BUTOXIDE SOLUTION

C12H27O3Y (308.1019)

N-(1-Ethyl-1,2,3,4-tetrahydro-7-quinolinyl)-1,1,1-trifluoro-methanesulfonamide

C12H15F3N2O2S (308.0806)

(3-(Benzylamino)-5-nitrophenyl)boronic acid hydrochloride

C13H14BClN2O4 (308.0735)

Pyrimido[4,5-g]quinazoline-4,9-dione,2-(chloromethyl)-1,6-dihydro-5,10-dihydroxy-7-methyl- (9CI)

C12H9ClN4O4 (308.0312)

4-DIETHYLPHOSPHONO-(O-METHANESULFONYL)PHENOL

C11H17O6PS (308.0483)

1,8-bis-maleimidotriethyleneglycol

C14H16N2O6 (308.1008)

Bis(3-nitrophenyl)sulfone

C12H8N2O6S (308.0103)

ETHYL 5-BROMO-1-(4-METHYLPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE

C13H13BrN2O2 (308.016)

4-(3,4-DICHLOROPHENYL)-4-PHENYLBUTYRIC ACID

C16H14Cl2O2 (308.0371)

Propanimidic acid,3,3-dithiobis-, 1,1-dimethyl ester, hydrochloride (1:2)

C8H18Cl2N2O2S2 (308.0187)

4-(Benzyloxy)-7-methoxy-2-naphthoic acid

C19H16O4 (308.1049)

5-AMINO-3-AMINOSULFONY-4-PHENOXYBENZOICACID

C13H12N2O5S (308.0467)

4-(Benzyloxy)-5-methoxy-2-naphthoic acid

C19H16O4 (308.1049)

Methyl 7-(benzyloxy)-4-hydroxy-2-naphthoate

C19H16O4 (308.1049)

Methyl 8-(benzyloxy)-4-hydroxy-2-naphthoate

C19H16O4 (308.1049)

2-bromo-1,1:4,1-terphenyl

C18H13Br (308.0201)

disodium [2,2-bi-1H-indole]-3,3-diolate

C16H10N2Na2O2 (308.0538)

3-[2-(Benzyloxy)-4,6-dichlorophenyl]propanal

C16H14Cl2O2 (308.0371)

5-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile

C12H14BBrN2O2 (308.0332)

β-Glycerol phosphate disodium salt pentahydrate

C3H19Na2O11P (308.046)

2-bromo-trans-beta-styrylboronic acid pinacol ester

C14H18BBrO2 (308.0583)

4-methyl-2-phenylchromenylium,tetrafluoroborate

C16H13BF4O (308.0996)

2,6-Bis(2-hydroxyethylamino)toluene sulfate

C11H20N2O6S (308.1042)

4-Methylumbelliferyl α-L-Arabinosfuranoside

C15H16O7 (308.0896)

ethyl 3-(4-bromophenyl)-1-methyl-1h-pyrazole-5-carboxylate

C13H13BrN2O2 (308.016)

8-azidoadenosine

C10H12N8O4 (308.0981)

(4-Methylumbelliferone)-β-D-xylopyranoside

C15H16O7 (308.0896)

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 (308.0725)

5-(4-bromophenyl)-1-(tetrahydro-2H-pyran-2-yl)tetrazole

C12H13BrN4O (308.0273)

S-(11-Bromoundecyl) ethanethioate

C13H25BrOS (308.0809)

3-CHLORO-6,11-DIHYDRO-5,5-DIOXO-11-AMINO-6-METHYLDIBENZO[C,F][1,2]THIAZEPINE

C14H13ClN2O2S (308.0386)

silver tert-dodecanethiolate

C12H25AgS (308.0728)

ETHYL 2-(4-HYDROXY-3-NITROPHENYL)-4-METHYLTHIAZOLE-5-CARBOXYLATE

C13H12N2O5S (308.0467)

4-Ethyl-4-iodobiphenyl

C14H13I (308.0062)

1,1:2,1-Terphenyl,2-bromo- (9CI)

C18H13Br (308.0201)

ETHYL 4-(4-CHLOROPHENYL)-5-CYANAMIDE-4,5-DIHYDRO-1,3,4-THIADIAZOLE-2-CARBOXYLATE

C12H9ClN4O2S (308.0135)

4-(4-CHLOROPHENYL)-5-(PIPERIDIN-1-YLMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL

C14H17ClN4S (308.0862)

1-Bromo-3,5-diphenylbenzene

C18H13Br (308.0201)

1-(3-Chlorophenyl)-4-(3-Chloropropyl)Piperazine Hydrochloride

C13H19Cl3N2 (308.0614)

7-Chloro-1-methyl-5-phenyl-

C17H13ClN4 (308.0829)

4-methylumbelliferyl alpha-l-arabinopyranoside

C15H16O7 (308.0896)

2-ACETYL-2H-INDAZOL-7-YL TRIFLUOROMETHANESULFONATE

C10H7F3N2O4S (308.0079)

Ethyl 2-(piperidin-1-yl)-4-trifluoromethyl-1,3-thiazole-5-carboxylate

C12H15F3N2O2S (308.0806)

warfarin-potassium

C19H16O4 (308.1049)

4,5-DIHYDRO-7-[3-(TRIFLUOROMETHYL)PHENYL]PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE

C14H11F3N4O (308.0885)

2-acryloyloxyethyl 2-hydroxyethyl phthalate

C15H16O7 (308.0896)

2-(4-chlorophenyl)-1,1-diphenylethanol

C20H17ClO (308.0968)

tri-n-propyltin acetate

C11H24O2Sn (308.0798)

Cycotiamine

C13H16N4O3S (308.0943)

Benzene,1,1-[(1E)-1,2-ethenediylbis(sulfonyl)]bis-

C14H12O4S2 (308.0177)

1-bromo-2,4-diphenylbenzene

C18H13Br (308.0201)

4,4-Difluoro-3,3-dinitrobenzophenone

C13H6F2N2O5 (308.0245)

UNII:4FM1N296CM

C6H20CaO11 (308.0631)

2-Aminophenol-4-(2-carboxy) sulfonanilide

C13H12N2O5S (308.0467)

4-amino-8-bromo-N-propylcinnoline-3-carboxamide

C12H13BrN4O (308.0273)

INH1

C18H16N2OS (308.0983)

N-(Benzyloxy)-2-nitrobenzenesulfonamide

C13H12N2O5S (308.0467)

1-MERCAPTO-4-(3-METHYLPHENYL)[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5(4H)-ONE

C16H12N4OS (308.0732)

Faropenem sodium

C12H15NNaO5S (308.0569)

1-benzoyl-3,5-bis(trifluoromethyl)pyrazole

C12H6F6N2O (308.0384)

Nimustine HCL

nimustine hydrochloride

C9H14Cl2N6O2 (308.0555)

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

C13H10Cl2N4O (308.0232)

3-(2-CARBOXYPHENYL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID

C17H12N2O4 (308.0797)

(E)-2-(4-BROMOPHENYL)-3-CYCLOHEXYLACRYLIC ACID

C15H17BrO2 (308.0412)

Benzeneacetic acid,4-chloro-a-(4-chlorophenyl)-, ethyl ester

C16H14Cl2O2 (308.0371)

4-bromo-trans-beta-styrylboronic acid pinacol ester

C14H18BBrO2 (308.0583)

DIETHYL (5-BROMOPENTYL)MALONATE

C12H21BrO4 (308.0623)

(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

C14H16N2O6 (308.1008)

diethyl 2-[(3-nitroanilino)methylidene]propanedioate

C14H16N2O6 (308.1008)

4-Methoxytriphenylmethyl chloride

C20H17ClO (308.0968)

4-hydroxy-3-[3-oxo-1-(2,3,4,5,6-pentadeuteriophenyl)butyl]chromen-2-one

C19H16O4 (308.1049)

ethyl 1-(5-chlorobenzo[d]oxazol-2-yl)piperidine-4-carboxylate

C15H17ClN2O3 (308.0928)

Pyrimido[1,2-a]benzimidazol-4-amine, N-(4-chlorophenyl)-2-methyl- (9CI)

C17H13ClN4 (308.0829)

Azoramide

C15H17ClN2OS (308.075)

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

C14H16N2O6 (308.1008)

cis-1,2-Bis(phenylsulfonyl)ethylene

C14H12O4S2 (308.0177)

Tris(2,2,2-trifluoroethyl) borate

C6H6BF9O3 (308.0266)

1-(2-CHLORO-6-FLUOROBENZYL)-1-METHOXY-3-PHENYLUREA

C15H14ClFN2O2 (308.0728)

PalladiuM pivalate

C10H18O4Pd (308.024)

Bis(4-nitrophenyl) Sulfone

C12H8N2O6S (308.0103)

3-[3-(4-FLUORO-PHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]-ACRYLIC ACID

C18H13FN2O2 (308.0961)

N-(4-methoxyphenyl)-2-nitrobenzenesulfonamide

C13H12N2O5S (308.0467)

(iodoethynyl)triisopropylsilane

C11H21ISi (308.0457)

2-Chlorobenzoic acid 2-(4-chlorobenzoyl)hydrazide

C14H10Cl2N2O2 (308.0119)

4-Fluoro-N-Methyl-N-piperidin-4-yl-benzenesulfonaMide hydro、chloride

C12H18ClFN2O2S (308.0761)

[1-(4-Fluoro-benzenesulfonyl)-piperidin-3-yl]-Methyl-aMine hydrochloride

C12H18ClFN2O2S (308.0761)

1-adamantylmethyl-4-bromo-5-methyl-1H-pyrazole

C15H21BrN2 (308.0888)

4-Methylumbelliferyl b-D-ribofuranoside

C15H16O7 (308.0896)

JIB-04

C17H13ClN4 (308.0829)

N-(4,5-DIMETHYL-3-PHENYL-3H-THIAZOL-2-YLIDENE)-BENZAMIDE

C18H16N2OS (308.0983)

6,13-Pentacenedione

C22H12O2 (308.0837)

3-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-benzoic acid

C13H13BrN2O2 (308.016)

2-BROMO-1-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)ETHAN-1-ONE

C16H21BrO (308.0776)

4-(8-Fluoro-3,4,5,6-tetrahydro-6-oxo-1H-azepino[5,4,3-cd]indol-2-yl)benzaldehyde

C18H13FN2O2 (308.0961)

Methyl 2-chloro-4-morpholinopyrido[2,3-d]pyrimidine-7-carboxylate

C13H13ClN4O3 (308.0676)

5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyridin-2-amine

C14H11F3N4O (308.0885)

1,1-bis(phenylsulfonyl)ethylene

C14H12O4S2 (308.0177)

N-(4,6-DIMETHYL-2-PYRIMIDINYL)-4-NITROBENZENESULFONAMIDE

C12H12N4O4S (308.0579)

1-Hexyl-2,3-dimethyl-1H-imidazol-3-ium iodide

C11H21IN2 (308.0749)

5-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-2-FURALDEHYDE

C13H6F6O2 (308.0272)

Pirenoxine

C16H8N2O5 (308.0433)

4-Bromo-p-terphenyl

C18H13Br (308.0201)

thorium fluoride

F4Th (308.0317)

Manitimus

C15H11F3N2O2 (308.0773)

C308 - Immunotherapeutic Agent > C574 - Immunosuppressant

2,5-Diphenylfuran-3,4-dicarboxylic acid

C18H12O5 (308.0685)

D-Gluco-2,5-anhydro-1-deoxy-1-phosphonohexitol-6-phosphate

C6H14O10P2 (308.0062)

Resveratrol-3-O-sulfate

C14H12O6S (308.0355)

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 (308.0831)

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 (308.0831)

2,5-Dihydroxy-3-(4-hydroxyphenyl)-6-phenylcyclohexa-2,5-diene-1,4-dione

C18H12O5 (308.0685)

1-(4-Methylphenyl)-2-[(1-phenyl-2-imidazolyl)thio]ethanone

C18H16N2OS (308.0983)

2-(3-Methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

C16H12N4OS (308.0732)

6-(4-Methoxyphenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C16H12N4OS (308.0732)

Cvf-csc-50

C18H16N2OS (308.0983)

4-hydroxy-7-methyl-9-phenylpyrido[2,3:4,5]thieno[2,3-b]pyridin-2(1H)-one

C17H12N2O2S (308.0619)

N-(2,4-difluorophenyl)-6-(propylthio)-3-pyridinecarboxamide

C15H14F2N2OS (308.0795)

2,5-Pyrrolidinedione, 1,1-(1,6-dioxo-1,6-hexanediyl)bis-

C14H16N2O6 (308.1008)

Bisphenol A monosulfate

C15H16O5S (308.0718)

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide

C18H16N2OS (308.0983)

(S)-N-[3-(Trifluoromethyl)-4-nitrophenyl]-2-methyl-2,3-dihydroxypropionamide

C11H11F3N2O5 (308.062)

(R)-Warfarin

(S)-(−)-Warfarin

C19H16O4 (308.1049)

n-(2-Flouro-benzyl)-4-sulfamoyl-benzamide

C14H13FN2O3S (308.0631)

4-(Aminosulfonyl)-N-[(4-fluorophenyl)methyl]-benzamide

C14H13FN2O3S (308.0631)

2-Deoxyuridine 3-monophosphate

C9H13N2O8P (308.041)

N-[4-(Aminosulfonyl)phenyl]-2-Mercaptobenzamide

C13H12N2O3S2 (308.0289)

pinazepam

C18H13ClN2O (308.0716)

(+)-Catechin Hydrate

C15H16O7 (308.0896)

N-Acetylneuraminate

C11H18NO9- (308.0982)

A ketoaldonate that is the conjugate base of N-acetylneuraminic acid, obtained by deprotonation of the carboxy group.

N-Acetyl-beta-neuraminate

C11H18NO9- (308.0982)

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

C11H18NO9- (308.0982)

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

C14H16N2O6 (308.1008)

2-[2-(1,3-Dioxan-2-yl)ethanesulfinyl]-5-phenyl-1,3,4-oxadiazole

C14H16N2O4S (308.0831)

[(3S)-4-(5-methylhexanoyl)-5-oxooxolan-3-yl]methyl dihydrogen phosphate

C12H21O7P (308.1025)

1-[(2E)-2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]pyrrolidin-1-ium-2-carboxylate

C14H16N2O6 (308.1008)

D004396 - Coloring Agents > D050858 - Betalains

(S)-4-(2-((S)-2-Carboxypyrrolidin-1-yl)vinyl)-2,3-dihydropyridine-2,6-dicarboxylic acid

C14H16N2O6 (308.1008)

N-(4-chlorophenethyl)-N-(4-chlorophenyl)urea

C15H14Cl2N2O (308.0483)

Disodium perborate hexahydrate

B2H16Na2O14 (308.0522)

2-[(2-Ethoxy-2-oxoethyl)thio]-1-benzimidazolecarboxylic acid ethyl ester

C14H16N2O4S (308.0831)

2-(2-Methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

C16H12N4OS (308.0732)

5-(2-methylpiperidin-1-yl)sulfonyl-1H-indole-2,3-dione

C14H16N2O4S (308.0831)

N-[4-(2-pyrimidinylsulfamoyl)phenyl]carbamic acid methyl ester

C12H12N4O4S (308.0579)

4-methyl-N-[4-(2-methyl-4-thiazolyl)phenyl]benzamide

C18H16N2OS (308.0983)

7-(thiophen-2-yl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine

C16H12N4OS (308.0732)

S-(4-chlorophenyl) 3,4-dimethoxybenzenecarbothioate

C15H13ClO3S (308.0274)

N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide

C18H16N2OS (308.0983)

1-[2-(4-Chlorophenyl)ethyl]-3-(4-fluorophenyl)thiourea

C15H14ClFN2S (308.055)

5-(4-bromophenyl)-N-propan-2-yl-3-isoxazolecarboxamide

C13H13BrN2O2 (308.016)

5-Phenyl-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)methyl]oxazole

C16H12N4OS (308.0732)

2-[(2-Chloro-4-nitroanilino)methyl]-6-methoxyphenol

C14H13ClN2O4 (308.0564)

2-[[(4-Phenyl-1,2,4-triazol-3-yl)thio]methyl]imidazo[1,2-a]pyrimidine

C15H12N6S (308.0844)

3-(3-methylphenyl)-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one

C17H12N2O2S (308.0619)

4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid methyl ester

C14H16N2O4S (308.0831)

(E)-1-(2,4-dichlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one

C15H14Cl2N2O (308.0483)

N-formyl-L-methionyl-L-methionine

C11H20N2O4S2 (308.0864)

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 (308.093)

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 (308.093)

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.

Aceneneuramate

C11H18NO9- (308.0982)

2-(2-imino-3-thiazolyl)-N-(2-methoxy-4-nitrophenyl)acetamide

C12H12N4O4S (308.0579)

3-(5-Benzyloxyindol-3-yl)pyruvate

C18H14NO4- (308.0923)

Glymidine anion

C13H14N3O4S- (308.0705)

(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide

C17H12N2O4 (308.0797)

4-[3-(3,4-Dihydroxyphenyl)-2-hydroxypropyl]benzene-1,2,3,5-tetrol

C15H16O7 (308.0896)

2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid

C12H12N4O6 (308.0757)

(Z)-2-cyano-N-(3-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-enamide

C18H16N2OS (308.0983)

3-Chlorophenyl 4-phenoxyphenyl ketone

C19H13ClO2 (308.0604)

(R)-5-Diphosphomevalonic acid

(3r)-3-Hydroxy-5-{[(R)-Hydroxy(Phosphonooxy)phosphoryl]oxy}-3-Methylpentanoic Acid

C6H14O10P2 (308.0062)

The 5-diphospho derivative of (R)-mevalonic acid.

Indicaxanthin

C14H16N2O6 (308.1008)

D004396 - Coloring Agents > D050858 - Betalains

Liarozole

C17H13ClN4 (308.0829)

1-(2-Hydroxyethyloxymethyl)-6-phenyl thiothymine

C14H16N2O4S (308.0831)

Glabrocoumarone a

C19H16O4 (308.1049)

(3S)-3-hydroxy-5-{[hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylpentanoic acid

C6H14O10P2 (308.0062)

cis-Resveratrol 4-sulfate

C14H12O6S (308.0355)

4R,5R,6S-Trihydroxy-2-hydroxymethyl-2-cyclohexen-1-one 6-(2-hydroxy-6-methylbenzoate)

C15H16O7 (308.0896)

D-Erythroascorbic acid 1-a-D-glucoside

C11H16O10 (308.0743)

(1S,2R,3S)-2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-1,2,3-triol

C19H16O4 (308.1049)

Neodulin

C18H12O5 (308.0685)

bisphenol A sulfate

C15H16O5S (308.0718)

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.

Nimustine hydrochloride

C9H13ClN6O2. HCl (308.0555)

Methoxychlor olefin

C16H14Cl2O2 (308.0371)

Diphosphomevalonic acid

C6H14O10P2 (308.0062)

LPA 8:3;O

C11H17O8P (308.0661)

IC87201

C13H10Cl2N4O (308.0232)

IC87201, an inhibitor of PSD95-nNOS protein-protein interactions, suppresses NMDAR-dependent NO and cGMP formation.

TC-S 7009

C12H6ClFN4O3 (308.0112)

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

C19H16O4 (308.1049)

3-chloro-6,8-dihydroxy-2,2-dimethyl-3h,4h-naphtho[2,3-b]pyran-5,10-dione

C15H13ClO5 (308.0451)

(3-hydroxy-5-oxooxolan-2-yl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C15H16O7 (308.0896)

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

C14H12O8 (308.0532)

(3s)-2-acetyl-3-aminobutanedioic acid; oxindole

C14H16N2O6 (308.1008)

(2s)-4-[(1e)-2-[(2s)-2-carboxypyrrolidin-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid

C14H16N2O6 (308.1008)

methyl 5,6,10-trihydroxy-4-methyl-8-oxo-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(13),9,11-triene-6-carboxylate

C15H16O7 (308.0896)

3-(2-hydroxy-4-methoxy-5-{5-methyl-4-oxo-3,6-dioxabicyclo[3.1.0]hexan-2-yl}phenyl)propanoic acid

C15H16O7 (308.0896)

(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

C15H16O7 (308.0896)

(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

C18H12O5 (308.0685)

6,7-dihydroxy-4-oxo-3-(3-oxobutanoyl)-2,3-dihydro-1-benzopyran-5-carboxylic acid

C14H12O8 (308.0532)

(4as)-4a,8-dihydroxy-1,4-dimethyl-2h,3h-cyclopenta[b]anthracene-5,10-dione

C19H16O4 (308.1049)

(2s)-4-{2-[(2s)-2-carboxypyrrolidin-1-yl]ethenyl}-2,3-dihydropyridine-2,6-dicarboxylic acid

C14H16N2O6 (308.1008)

(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

C15H16O7 (308.0896)

6-butanoyl-1-hydroxy-7-methylphenanthrene-9,10-dione

C19H16O4 (308.1049)

2-(4-hydroxyphenyl)-5-methoxyfuro[2,3-h]chromen-4-one

C18H12O5 (308.0685)

(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

C15H16O7 (308.0896)

1,8-dihydroxy-3-methyl-1,2,3,4-tetrahydrotetraphene-7,12-dione

C19H16O4 (308.1049)

(3s)-8-hydroxy-3-methyl-3,4,5,6-tetrahydro-2h-tetraphene-1,7,12-trione

C19H16O4 (308.1049)

(2e)-3-{2'-hydroxy-4-methoxy-5'-[(1e)-3-oxoprop-1-en-1-yl]-[1,1'-biphenyl]-3-yl}prop-2-enal

C19H16O4 (308.1049)

(1r)-2-oxo-3,4-dehydroneomajucin

C15H16O7 (308.0896)

{"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

C15H16O7 (308.0896)

{"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

C19H16O4 (308.1049)

{"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

C15H16O7 (308.0896)

{"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

C18H12O5 (308.0685)

{"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

C14H9ClO6 (308.0088)

{"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

C15H16O7 (308.0896)

{"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

C15H16O7 (308.0896)

{"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"}

(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

C15H16O7 (308.0896)

(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

C13H12N2O3S2 (308.0289)

(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

C15H16O7 (308.0896)

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

C15H16O7 (308.0896)

methyl (3r,4s,5s,6r,7s)-5,6,10-trihydroxy-4-methyl-8-oxo-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(13),9,11-triene-6-carboxylate

C15H16O7 (308.0896)

[3-amino-3-({1-[(1-carboxyethyl)-c-hydroxycarbonimidoyl]ethyl}-c-hydroxycarbonimidoyl)propyl](hydroxy)oxo-λ⁵-phosphanylium

[C10H19N3O6P]+ (308.1011)

methyl (1r,4r,5r,6r,8r,10r,11e,14r)-11-ethylidene-6-hydroxy-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradec-2-ene-5-carboxylate

C15H16O7 (308.0896)