Exact Mass: 246.0236486
Exact Mass Matches: 246.0236486
Found 500 metabolites which its exact mass value is equals to given mass value 246.0236486,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Isopimpinellin
Isopimpinellin is a member of psoralens. Isopimpinellin is a natural product found in Zanthoxylum mayu, Zanthoxylum ovalifolium, and other organisms with data available. Isopimpinellin is found in angelica. Isopimpinellin is present in the seeds of Pastinaca sativa (parsnip) Isopimpinellin belongs to the family of Furanocoumarins. These are polycyclic aromatic compounds containing a furan ring fused to a coumarin moeity. See also: Angelica keiskei top (part of). Present in the seeds of Pastinaca sativa (parsnip). Isopimpinellin is found in many foods, some of which are carrot, anise, celery stalks, and fennel. Isopimpinellin is found in angelica. Isopimpinellin is present in the seeds of Pastinaca sativa (parsnip D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Isopimpinellin, an orally active compound isolated from Glomerella cingulata. Isopimpinellin blocks DNA adduct formation and skin tumor initiation by 7,12-dimethylbenz[a]anthracene. Isopimpinellin possesses anti-leishmania effect[1]. Isopimpinellin, an orally active compound isolated from Glomerella cingulata. Isopimpinellin blocks DNA adduct formation and skin tumor initiation by 7,12-dimethylbenz[a]anthracene. Isopimpinellin possesses anti-leishmania effect[1].
Pimpinellidine
Pimpinellin is a furanocoumarin. Pimpinellin is a natural product found in Dorstenia psilurus, Clausena anisata, and other organisms with data available. Pimpinellin is a furocoumarin. Furocoumarins, are phototoxic and photocarcinogenic. They intercalate DNA and photochemically induce mutations. Furocoumarins are botanical phytoalexins found to varying extents in a variety of vegetables and fruits, notably citrus fruits. The levels of furocoumarins present in our diets, while normally well below that causing evident acute phototoxicity, do cause pharmacologically relevant drug interactions. Some are particularly active against cytochrome P450s. For example, in humans, bergamottin and dihydroxybergamottin are responsible for the grapefruit juice effect, in which these furanocoumarins affect the metabolism of certain drugs. Aglycone from hydrolysis of leaves and stems of Lycopersicon pimpinellifolium (currant tomato). Pimpinellidine is found in garden tomato. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Pimpinellin is a constituent of Cyrtomium fortumei (J.). Pimpinellin inhibits the growth of tumor cells via the induction of tumor cell apoptosis[1]. Pimpinellin is a constituent of Cyrtomium fortumei (J.). Pimpinellin inhibits the growth of tumor cells via the induction of tumor cell apoptosis[1].
Dimethylallylpyrophosphate
Prenyl diphosphate is a prenol phosphate that is a phosphoantigen comprising the O-pyrophosphate of prenol. It has a role as an epitope, a phosphoantigen, an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of a prenyl diphosphate(3-). Dimethylallylpyrophosphate is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Dimethylallyl diphosphate is a natural product found in Centaurium erythraea, Streptomyces albidoflavus, and other organisms with data available. Dimethylallylpyrophosphate is a metabolite found in or produced by Saccharomyces cerevisiae. Dimethylallylpyrophosphate, also known as 2-isopentenyl diphosphate or delta-prenyl diphosphoric acid, belongs to the class of organic compounds known as isoprenoid phosphates. These are prenol lipids containing a phosphate group linked to an isoprene (2-methylbuta-1,3-diene) unit. Dimethylallylpyrophosphate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Dimethylallyl pyrophosphate (or -diphosphate) (DMAPP) is an intermediate product of both mevalonic acid (MVA) pathway and DOXP/MEP pathway. It is an isomer of isopentenyl pyrophosphate (IPP) and exists in virtually all life forms. A prenol phosphate that is a phosphoantigen comprising the O-pyrophosphate of prenol.
Isopentenyl pyrophosphate
Isopentenyl pyrophosphate, also known as delta3-isopentenyl diphosphate or ipp, is a member of the class of compounds known as isoprenoid phosphates. Isoprenoid phosphates are prenol lipids containing a phosphate group linked to an isoprene (2-methylbuta-1,3-diene) unit. Thus, isopentenyl pyrophosphate is considered to be an isoprenoid lipid molecule. Isopentenyl pyrophosphate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Isopentenyl pyrophosphate can be found in a number of food items such as american butterfish, conch, tea leaf willow, and butternut, which makes isopentenyl pyrophosphate a potential biomarker for the consumption of these food products. Isopentenyl pyrophosphate can be found primarily in human spleen tissue. Isopentenyl pyrophosphate exists in all living species, ranging from bacteria to humans. In humans, isopentenyl pyrophosphate is involved in several metabolic pathways, some of which include ibandronate action pathway, lovastatin action pathway, fluvastatin action pathway, and pravastatin action pathway. Isopentenyl pyrophosphate is also involved in several metabolic disorders, some of which include hypercholesterolemia, hyper-igd syndrome, lysosomal acid lipase deficiency (wolman disease), and wolman disease. Isopentenyl pyrophosphate (IPP, isopentenyl diphosphate, or IDP) is an isoprenoid precursor. IPP is an intermediate in the classical, HMG-CoA reductase pathway (commonly called the mevalonate pathway) and in the non-mevalonate MEP pathway of isoprenoid precursor biosynthesis. Isoprenoid precursors such as IPP, and its isomer DMAPP, are used by organisms in the biosynthesis of terpenes and terpenoids . Isopentenyl pyrophosphate, IPP or isopentenyl diphosphate, is an intermediate in the HMG-CoA reductase pathway used by organisms in the biosynthesis of terpenes and terpenoids. IPP is formed from Mevalonate-5-pyrophosphate, in a reaction catalyzed by the enzyme mevalonate-5-pyrophosphate decarboxylase. (wikipedia).
Oxydemeton-methyl
C6H15O4PS2 (246.01493599999998)
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
Fonofos
C10H15OPS2 (246.03019099999997)
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 3112
Busulfan
An alkylating agent having a selective immunosuppressive effect on bone marrow. It has been used in the palliative treatment of chronic myeloid leukemia (myeloid leukemia, chronic), but although symptomatic relief is provided, no permanent remission is brought about. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), busulfan is listed as a known carcinogen. [PubChem] L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AB - Alkyl sulfonates C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents > D019653 - Myeloablative Agonists D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000477 - Alkylating Agents
Ekatin
C6H15O2PS3 (245.99717800000002)
D010575 - Pesticides > D007306 - Insecticides D010575 - Pesticides > D056810 - Acaricides D016573 - Agrochemicals
Diammonium ethylenebis(dithiocarbamate)
C4H14N4S4 (246.01012839999999)
(2R,3S,4R)-2,3,4-trihydroxy-5-phosphonooxypentanoic acid
Dibenzyl disulfide
Dibenzyl disulfide is an organic disulfide that results from the formal oxidative dimerisation of benzyl thiol. It has a role as a metabolite. It is an organic disulfide and an organic aromatic compound. Dibenzyl disulfide is a natural product found in Petiveria alliacea with data available. An organic disulfide that results from the formal oxidative dimerisation of benzyl thiol. Dibenzyl disulfide is a flavouring ingredien Flavouring ingredient Dibenzyl disulfide is an endogenous metabolite.
Coriandrone C
Constituent of Coriandrum sativum (coriander). Coriandrone C is found in coriander and herbs and spices. Coriandrone C is found in coriander. Coriandrone C is a constituent of Coriandrum sativum (coriander).
5-Sulfo-1,3-benzenedicarboxylic acid
5-Sulfo-1,3-benzenedicarboxylic acid is a fda approved for use in food-contact polyester resins. FDA approved for use in food-contact polyester resins
3-(3-hydroxyphenyl)propionate sulfate
3-[3-(sulfooxy)phenyl]propanoic acid, also known as 3-(3-Hydroxyphenyl)propanoate sulfate or Mhppa sulfate, is classified as a member of the phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. 3-[3-(sulfooxy)phenyl]propanoic acid is considered to be a slightly soluble (in water) and an extremely strong acidic compound. 3-[3-(sulfooxy)phenyl]propanoic acid can be found in feces.
3-[4-(sulfooxy)phenyl]propanoic acid
3-[4-(sulfooxy)phenyl]propanoic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3-(4-hydroxyphenyl)propanoic acid. It is generated by Sulfotransferase 1A3 (P0DMM9) and Sulfotransferase enzymes via a -4-O-sulfation-of-phenolic-compound reaction. This -4-O-sulfation-of-phenolic-compound occurs in humans.
Glycerophosphoglycerol
Glycerophosphoglycerol (CAS: 6418-92-4) belongs to the class of organic compounds known as dialkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly two alkyl chains. Glycerophosphoglycerol forms the head group of a class of glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site. Termed, phosphatidylglycerols (PG), these lipids can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18, and 20 carbons are the most common.
9-Deaza-9-(3-thienylmethyl)guanine
Iriflophenone
Iriflophenone, isolated from Aquilaria sinensis, stimulates MCF-7 and T-47D human breast cancer cells proliferation[1][2]. Iriflophenone, isolated from Aquilaria sinensis, stimulates MCF-7 and T-47D human breast cancer cells proliferation[1][2].
2-Methylbut-3-en-2-yl phosphono hydrogen phosphate
Arctinone
Arctinone b is a member of the class of compounds known as bi- and oligothiophenes. Bi- and oligothiophenes are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms. Arctinone b is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Arctinone b can be found in burdock, which makes arctinone b a potential biomarker for the consumption of this food product.
Magnesium sulfate heptahydrate
It is used in foods as a flavour enhancer, nutrient supplement and processing aid
(2R,4R,6S)-6-Bromo-1,4-epoxy-3(8)-ochtoden-2-ol
C10H15BrO2 (246.02553500000002)
(4R,6S,8S)-6-Bromo-1,4-epoxy-2-ochtoden-8-ol
C10H15BrO2 (246.02553500000002)
(2S,4R,6S)-6-Bromo-1,4-epoxy-3(8)-ochtoden-2-ol
C10H15BrO2 (246.02553500000002)
2,2,4,4-Tetrahydroxybenzophenone
CONFIDENCE standard compound; INTERNAL_ID 1000; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3571; ORIGINAL_PRECURSOR_SCAN_NO 3569 CONFIDENCE standard compound; INTERNAL_ID 1000; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3562; ORIGINAL_PRECURSOR_SCAN_NO 3559 CONFIDENCE standard compound; INTERNAL_ID 1000; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3550; ORIGINAL_PRECURSOR_SCAN_NO 3546 CONFIDENCE standard compound; INTERNAL_ID 1000; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3558; ORIGINAL_PRECURSOR_SCAN_NO 3554 CONFIDENCE standard compound; INTERNAL_ID 1000; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3569; ORIGINAL_PRECURSOR_SCAN_NO 3564 CONFIDENCE standard compound; INTERNAL_ID 1000; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3561; ORIGINAL_PRECURSOR_SCAN_NO 3557 CONFIDENCE standard compound; INTERNAL_ID 8331
2,7,9-trimethyl-4H-pyrido[3,2:4,5]thieno[3,2-d][1,3]oxazin-4-one
1-[5-(1-propyn-1-yl)-[2,2-bithiophen]-5-yl]-ethanone|5-Acetyl-5?脣-(1-propynyl)-2,2?脣-bithiophene|arctinone b|arctinone-b
(S)-4-(4-hydroxyphenyl)-2-butanol 2-O-sulfate
C10H14O5S (246.05619140000002)
(1R,5S)-2-Cyclopenten-1-carbonsaeure-2-trans-allyl-3-chlor-1,5-dihydroxy-4-oxo-methylester|Me ester-(1R, 5S)-(E)-3-Chloro-1, 5-dihydroxy-4-oxo-2-(1-propenyl)-2-cyclopentene-1-carboxylic acid, 9CI
2,4-Dihydroxy-5-carboxy-dibenyl ether|2,4-dihydroxy-5-carboxydiphenyl ether
2-amino-N-(2-chlorophenyl)benzamide
C13H11ClN2O (246.05598659999998)
(5-but-3-en-1-ynyl-[2,2]bithiophenyl-5-yl)-methanol
Iriflophenone
Iriflophenone is a natural product found in Iris potaninii, Aquilaria sinensis, and Iris domestica with data available. D007155 - Immunologic Factors > D000373 - Agglutinins > D037121 - Plant Lectins D007155 - Immunologic Factors > D000373 - Agglutinins > D037102 - Lectins Iriflophenone, isolated from Aquilaria sinensis, stimulates MCF-7 and T-47D human breast cancer cells proliferation[1][2]. Iriflophenone, isolated from Aquilaria sinensis, stimulates MCF-7 and T-47D human breast cancer cells proliferation[1][2].
3-(6-Hydroxy-1,3-hexadiynyl)-6-(1-propynyl)-1,2-dethiin
6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-pyranone
2,3-Dihydro-5-[[5-(1-propynyl)-2-thienyl]ethynyl]thiophen-3-ol|2--5-<4-hydroxy-4,5-dihydro-thienyl-(2)-aethinyl>-thiophen|5-(5-prop-1-ynyl-thiophen-2-ylethynyl)-2,3-dihydro-thiophen-3-ol
methyl 7-formyl-2,5-dihydro-5-oxo-1-benzoxepine-3-carboxylate
5,8-dimethoxypsoralen|isopimpinellin|isopinpinellin
1-Benzoyl-3-Hydroxy-2-(hydroxymethyl)-4H-Pyran-4-one
NOA407475
C8H11ClN4OS (246.03420659999998)
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3234
busulfan
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AB - Alkyl sulfonates C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents > D019653 - Myeloablative Agonists D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000477 - Alkylating Agents
(3-hydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
Isopimpinellin
Isopimpinellin, an orally active compound isolated from Glomerella cingulata. Isopimpinellin blocks DNA adduct formation and skin tumor initiation by 7,12-dimethylbenz[a]anthracene. Isopimpinellin possesses anti-leishmania effect[1]. Isopimpinellin, an orally active compound isolated from Glomerella cingulata. Isopimpinellin blocks DNA adduct formation and skin tumor initiation by 7,12-dimethylbenz[a]anthracene. Isopimpinellin possesses anti-leishmania effect[1].
4,9-dimethoxyfuro[3,2-g]chromen-7-one [IIN-based: Match]
4,9-dimethoxyfuro[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000847638]
3-Hydroxymethyl-7-chloro-1,2,4-benzothiadiazine-1,1-dioxide
Benzyldisulfide
Dibenzyl disulfide is an endogenous metabolite.
(5-(but-3-en-1-yn-1-yl)-[2,2-bithiophen]-5-yl)methanol
4-(3-METHYL-1-BENZOTHIEN-2-YL)-1,3-THIAZOL-2-AMINE
HISPIDIN
Fungal metabolite first found in basidiomycete Inonotus hispidus (formerly Polyporus hispidus). Hispidin, a PKC inhibitor and a phenolic compound from Phellinus linteus, has been shown to possess strong anti-oxidant, anti-cancer, anti-diabetic, and anti-dementia properties[1].
2-amino-5-chlorobenzophenone oxime
C13H11ClN2O (246.05598659999998)
2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethanohydrazide
C7H11BrN4O (246.01161759999997)
n-(4-aminophenyl)-3-chlorobenzamide
C13H11ClN2O (246.05598659999998)
3-CHLORO-4-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
3-(4-FLUOROPHENYL)PIPERIDINE HYDROCHLORIDE
C13H11ClN2O (246.05598659999998)
1-Isoquinolinecarbonitrile,2-(3-chloro-1-oxopropyl)-1,2-dihydro-
C13H11ClN2O (246.05598659999998)
2-Amino-9(10H)-acridinone hydrochloride (1:1)
C13H11ClN2O (246.05598659999998)
5-[(1E)-2-(4-Chlorophenyl)ethenyl]-1,3-benzenediol
Guanoxabenz
C8H8Cl2N4O (246.00751379999997)
C - Cardiovascular system > C02 - Antihypertensives > C02C - Antiadrenergic agents, peripherally acting > C02CC - Guanidine derivatives C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOLE-2-THIOL
C9H5F3N2OS (246.00746759999998)
5-(Trifluoromethyl)-1-Benzothiophene-2-Carboxylic Acid
4-chloro-2-methyl- [1,1-Biphenyl]-3-carboxylic acid
3-CHLORO-4-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
4-FLUORO-3-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
(3-bromo-2,5-dimethoxyphenyl)methanol
C9H11BrO3 (245.98915159999999)
Bis(2,2,2-trifluoroethyl) Phosphite
C4H5F6O3P (245.98805019999998)
5-(3-Methoxycarbonylphenyl)-furan-2-carboxylic acid
4-CHLORO-2-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
3-CHLORO-2-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
4-CHLORO-2-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
Acetamide,N-(6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)-2-chloro-
N-BOC-2-CHLORO-4-FLUORO-5-PYRIDINAMINE
C10H12ClFN2O2 (246.05712939999998)
1-bromo-4-fluoro-2-methoxy-5-propan-2-ylbenzene
C10H12BrFO (246.00554939999995)
4-Chloro-2-(trifluoromethyl)phenylhydrazine hydrochloride
3,5-DIACETAMIDO-2,4,6-TRIIODOBENZOICACID
C7H4ClF5N2 (245.99831539999997)
(3as)-4-bromo-3a 5a 6a 6b-tetrahydro-2
C9H11BrO3 (245.98915159999999)
[3-Chloro-5-(trifluoromethyl)-2-pyridyl]methylamine hydrochloride
METHYL 5-(TERT-BUTYL)-3-(CHLOROMETHYL)THIOPHENE-2-CARBOXYLATE
7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine
2-[(2,4-DICHLORO-PHENYL)-HYDRAZONO]-PROPIONIC ACID
Alpha-naphthyl acid phosphate monosodium salt
C10H8NaO4P (246.00578979999997)
p-(chloromethyl)phenyltrimethoxysilane
C10H15ClO3Si (246.04789499999998)
5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-ol
C12H7FN2OS (246.02631039999997)
Ethyl 2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)acetate
4-OXO-4H-BENZO[D]PYRIMIDO[2,1-B][1,3]THIAZOLE-3-CARBOXYLIC ACID
3-CHLORO-3-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
2-amino-4-(methoxycarbonylamino)benzenesulfonic acid
6-chloro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
C13H11ClN2O (246.05598659999998)
8-chloro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
C13H11ClN2O (246.05598659999998)
3-(Acetylamino)-5-amino-4-hydroxybenzenesulfonic acid
3-SULFOPROPYL METHACRYLATE, POTASSIUM SALT
C7H11KO5S (245.99642559999998)
((4-(DIMETHYLAMINO)PHENYL)METHYLENE)METHANE-1,1-DICARBONITRILE
C11H16Cl2Si (246.03982759999997)
1H-IMIDAZOLE, 2-(4-CHLOROPHENYL)-5-(TRIFLUOROMETHYL)-
C10H6ClF3N2 (246.01715819999998)
ETHYL 4-HYDROXY-2-(METHYLSULFONYL)PYRIMIDINE-5-CARBOXYLATE
1,3-Dimethyluracil-5-trifluoroborate potassium salt
2-(CHLOROMETHYL)-1H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID HYDROCHLORIDE
[(2S)-2,3-dihydroxypropyl] 4-methylbenzenesulfonate
C10H14O5S (246.05619140000002)
2-CHLORO-3,5-DIFLUORO-4-(TRIFLUOROMETHYL)PHENYL HYDRAZINE
C7H4ClF5N2 (245.99831539999997)
(4-Bromo-3,5-dimethoxyphenyl)methanol
C9H11BrO3 (245.98915159999999)
1-Naphthalenesulfonicacid, 4-hydroxy-, sodium salt (1:1)
N-(4-Aminophenyl)-4-chlorobenzamide
C13H11ClN2O (246.05598659999998)
4-(CHLOROMETHYL)PHENYLTRIMETHOXYSILANE
C10H15ClO3Si (246.04789499999998)
2-Amino-N-(3-chlorophenyl)benzamide
C13H11ClN2O (246.05598659999998)
2-(4-methoxyphenyl)cyclopropane-1-sulfonyl chloride
2-[2-Fluoro-4-(methylsulfonyl)phenyl]-1,3-dioxolane
METHYL2-(2-CHLORO-5-NITROPYRIMIDIN-4-YLAMINO)ACETATE
C7H7ClN4O4 (246.01558119999999)
4-BROMO-1-METHYL-3-PROPYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
4-Amino-N-(2-chlorophenyl)benzamide
C13H11ClN2O (246.05598659999998)
4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-ol
C9H5F3N2OS (246.00746759999998)
N-(Piperidin-4-yl)thiophene-2-carboxamide hydrochloride
C10H15ClN2OS (246.05935699999998)
2-[4-Fluoro-3-(methylsulfonyl)phenyl]-1,3-dioxolane
7-chloro-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
6-(TRIFLUOROMETHYL)BENZO[B]THIOPHENE-2-CARBOXYLIC ACID
3,4-DIMETHOXYPHENYLSULFONYLETHANOL
C10H14O5S (246.05619140000002)
tert-butyl 4,4,4-trichlorobutanoate
C8H13Cl3O2 (245.99810880000004)
1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]HYDRAZINE HYDROCHLORIDE
5-CHLORO-3-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
4-CHLORO-3-(TRIFLUOROMETHYL)PHENYLHYDRAZINEHYDROCHLORIDE
5-(1,1-DIOXIDOTETRAHYDROTHIEN-3-YL)PYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE
3-amino-4-chloro-N-phenylbenzamide
C13H11ClN2O (246.05598659999998)
2-BROMO-4-(2-METHOXY-ETHOXY)-PHENOL
C9H11BrO3 (245.98915159999999)
Sodium 2-naphthyl hydrogen phosphate
C10H8NaO4P (246.00578979999997)
2-[(2-methylphenylthio)(methylthio)methylene]-malononitrile
3-(2-Methylimidazo[2,1-b]thiazol-6-yl)propanoic acid hydrochloride
trans-3-bromo-1-propen-1-ylboronic acid pinacol ester
Ethyl 4-Chloro-6-methyl-2-(methylthio)pyrimidine-5-carboxylate
6-Quinazoline carboxylicacid, 2,4-dichloro-5,6,7,8-tetrahydro
3-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole
C10H6ClF3N2 (246.01715819999998)
(4-Chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)(1H-imidazol-1-yl)methano ne
C11H7ClN4O (246.03083619999998)
4,4,4-Trifluoro-1-(4-methoxyphenyl)butane-1,3-dione
5-Chloro-1-phenyl-3-(trifluoromethyl)-1H-pyrazole
C10H6ClF3N2 (246.01715819999998)
5-TERT-BUTYL-2-METHOXY-BENZENESULFONYL CHLORIDE
C13H11ClN2O (246.05598659999998)
2-(4-Chlorophenyl)hydrazidebenzoicacid
C13H11ClN2O (246.05598659999998)
5-amino-4-cyano-1-(4-fluorophenyl)pyrazole-3-carboxylic acid
5-[3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazole-2-thione
C9H5F3N2OS (246.00746759999998)
4-amino-2-(4-chlorophenoxy)pyrimidine-5-carbonitrile
C11H7ClN4O (246.03083619999998)
6H-Dibenz(c,e)(1,2)oxaphosphorin-6-methanol 6-oxide
ethyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
N4-(4-METHYLPHENYL)-2-CHLOROISONICOTINAMIDE
C13H11ClN2O (246.05598659999998)
5-Pyrimidinecarboxylicacid, 4-chloro-2-(ethylthio)-, ethyl ester
(5-Bromo-2,3-dimethoxyphenyl)methanol
C9H11BrO3 (245.98915159999999)
METHYL 2-AMINO-8H-INDENO[1,2-D]THIAZOLE-5-CARBOXYLATE
Dichloro(methyl)(4-phenylbutyl)silane
C11H16Cl2Si (246.03982759999997)
6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine
4,4,4-TRIFLUORO-1-(3-METHOXY-PHENYL)-BUTANE-1,3-DIONE
N-(5-chloropyridin-2-yl)-4-methylbenzamide
C13H11ClN2O (246.05598659999998)
(R)-Glycerol 1-(p-toluenesulfonate)
C10H14O5S (246.05619140000002)
(2-BROMO-4,5-DIMETHOXYPHENYL)METHANOL
C9H11BrO3 (245.98915159999999)
3-fluoro-4-isothiocyanato-2-(trifluoromethyl)benzonitrile
C9H2F4N2S (245.98748199999997)
(2-Chloro-4-(trifluoromethyl)phenyl)hydrazine hydrochloride
2-Aminomethyl-3-chloro-5-(trifluoromethyl)pyridine hydrochloride
4-oxo-5-(phenylmethoxy)-4H-Pyran-2-carboxylic acid
METHYL 4-BROMO-1-ETHYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLATE
2-(4-Chlorophenylcarbamyl)aniline
C13H11ClN2O (246.05598659999998)
Benzaldehyde,4-(2,3-dihydrothieno[3,4-b]-1,4-dioxin-5-yl)-
2,6-BIS(CHLOROMETHYL)-4-TOLYL ACETATE
C11H12Cl2O2 (246.02143120000002)
3-(4-BROMO-PYRAZOL-1-YL)-2-METHYL-PROPIONIC ACID METHYL ESTER
4-Chloro-2-(1-piperidin-4-ol)-thiazole-5-carboxaldehyde
6-(4-FLUOROPHENYL)IMIDAZO[2,1-B]THIAZOLE-5-CARBALDEHYDE
C12H7FN2OS (246.02631039999997)
3-(4-Chlorobutanoyl)-1H-indole-5-carbonitrile
C13H11ClN2O (246.05598659999998)
(Z)-1-CHLORO-2-(2-(4-FLUOROPHENYL)PROP-1-EN-1-YL)BENZENE
C15H12ClF (246.06115139999997)
3,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2H-pyran-2-one
3-(3-sulfooxyphenyl)propanoic Acid
A monocarboxylic acid that is propionic acid carrying a 3-sulfooxyphenyl substituent at C-3.
ethyl 4-bromo-1,5-dimethyl-1H-pyrazole-3-carboxylate
4-Butyl-5-propyl-1,3-selenazol-2-amine
C10H18N2Se (246.06351180000001)
2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide
Isopimpinellin
Isopimpinellin is found in angelica. Isopimpinellin is present in the seeds of Pastinaca sativa (parsnip) Isopimpinellin belongs to the family of Furanocoumarins. These are polycyclic aromatic compounds containing a furan ring fused to a coumarin moeity. Isopimpinellin, an orally active compound isolated from Glomerella cingulata. Isopimpinellin blocks DNA adduct formation and skin tumor initiation by 7,12-dimethylbenz[a]anthracene. Isopimpinellin possesses anti-leishmania effect[1]. Isopimpinellin, an orally active compound isolated from Glomerella cingulata. Isopimpinellin blocks DNA adduct formation and skin tumor initiation by 7,12-dimethylbenz[a]anthracene. Isopimpinellin possesses anti-leishmania effect[1].
3-((2-Chlorothiazol-5-yl)methyl)-5-methyl-1,3,5-oxadiazinan-4-imine
C8H11ClN4OS (246.03420659999998)
3-carboxy-8-(methylsulfanyl)-2-oxooctanoate
C10H14O5S-2 (246.05619140000002)
alpha-oxo-1-carboxy-4-tetrahydrothiopyranpropanoate S-oxide
4-(2-Carboxy-2-oxoethyl)-1-oxo-2,3-dihydrothiopyran-4-carboxylic acid
[(2S,3S,4S,5S)-2,3,4,5-tetrahydroxyhexyl] dihydrogen phosphate
N-[(E)-(2-methylphenyl)methylideneamino]thiadiazole-4-carboxamide
[1-(2-Hydroxyphenyl)-3-oxopropan-2-yl] hydrogen sulate
[2-hydroxy-3-[(E)-3-hydroxyprop-1-enyl]phenyl] hydrogen sulfate
[3-(2-Hydroxyphenyl)oxiran-2-yl]methyl hydrogen sulate
[(E)-3-(2,5-dihydroxyphenyl)prop-2-enyl] hydrogen sulfate
3-(4-Methoxyphenyl)propyl hydrogen sulate
C10H14O5S (246.05619140000002)
2-[(5-Bromo-4-pentynyl)oxy]tetrahydro-2H-pyran
C10H15BrO2 (246.02553500000002)
THIOMETON
C6H15O2PS3 (245.99717800000002)
D010575 - Pesticides > D007306 - Insecticides D010575 - Pesticides > D056810 - Acaricides D016573 - Agrochemicals
OXYDEMETON-METHYL
C6H15O4PS2 (246.01493599999998)
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
3-[4-(sulfooxy)phenyl]propanoic acid
An aryl sulfate that is phenyl hydrogen sulfate substituted by a 2-carboxyethyl group at position 4. It is a human xenobiotic metabolite found in human plasma and urine after thyme consumption.
Isopentenyl diphosphate
A prenol phosphate comprising 3-methylbut-3-en-1-ol having an O-diphosphate substituent.
4-(acetylamino)-3-hydroxyphenyl sulfate
A phenyl sulfate oxoanion that is the conjugate base of 4-(acetylamino)-3-hydroxyphenyl hydrogen sulfate, obtained by deprotonation of the sulfate group; major species at pH 7.3.
2,3,5-tris(methylsulfanyl)cyclohexa-2,5-diene-1,4-dione
C9H10O2S3 (245.98429200000004)
[4-(4-hydroxyphenyl)butan-2-yl]oxysulfonic acid
C10H14O5S (246.05619140000002)
7,8-dihydroxy-3-methyl-1h-pyrano[4,3-b]chromen-10-one
2,4'-dihydroxy-5-carboxy-dibenyl ether
{"Ingredient_id": "HBIN004320","Ingredient_name": "2,4'-dihydroxy-5-carboxy-dibenyl ether","Alias": "NA","Ingredient_formula": "C13H10O5","Ingredient_Smile": "C1=CC(=CC=C1O)OC2=C(C=CC(=C2)C(=O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5785","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
[(2r)-4-(4-hydroxyphenyl)butan-2-yl]oxysulfonic acid
C10H14O5S (246.05619140000002)
[5'-(but-3-en-1-yn-1-yl)-[2,2'-bithiophen]-5-yl]methanol
[(2s)-4-(4-hydroxyphenyl)butan-2-yl]oxysulfonic acid
C10H14O5S (246.05619140000002)
6-[6-(prop-1-yn-1-yl)-1,2-dithiin-3-yl]hexa-3,5-diyn-1-ol
8,9-dihydroxy-6-methoxy-3h-naphtho[2,3-c]furan-1-one
4-hydroxy-7-methoxy-1h,3h-naphtho[2,3-c]furan-5,8-dione
(6s)-5-hydroxy-2,6-dimethyl-6h-furo[3,4-g]chromene-4,8-dione
(4r,6r,7as)-6-bromo-5,5-dimethyl-4,6,7,7a-tetrahydro-2h-1-benzofuran-4-ol
C10H15BrO2 (246.02553500000002)
(9s)-5,9-dihydroxy-7-methoxy-9h-naphtho[2,3-c]furan-4-one
6-bromo-5,5-dimethyl-3,6,7,7a-tetrahydro-2h-1-benzofuran-3-ol
C10H15BrO2 (246.02553500000002)
5-hydroxy-2,6-dimethyl-6h-furo[3,4-g]chromene-4,8-dione
(3r,6s,7ar)-6-bromo-5,5-dimethyl-3,6,7,7a-tetrahydro-2h-1-benzofuran-3-ol
C10H15BrO2 (246.02553500000002)
7-propanoyl-2h-[1,3]dioxolo[4,5-g]isochromen-5-one
6-bromo-5,5-dimethyl-4,6,7,7a-tetrahydro-2h-1-benzofuran-4-ol
C10H15BrO2 (246.02553500000002)
(3s,6s,7ar)-6-bromo-5,5-dimethyl-3,6,7,7a-tetrahydro-2h-1-benzofuran-3-ol
C10H15BrO2 (246.02553500000002)
(3s,6r,7as)-6-bromo-5,5-dimethyl-3,6,7,7a-tetrahydro-2h-1-benzofuran-3-ol
C10H15BrO2 (246.02553500000002)
4-(2-chloroethyl)-2,6-dinitrophenol
C8H7ClN2O5 (246.00434819999998)
(3r,6r,7as)-6-bromo-5,5-dimethyl-3,6,7,7a-tetrahydro-2h-1-benzofuran-3-ol
C10H15BrO2 (246.02553500000002)
4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one
5,9-dihydroxy-7-methoxy-9h-naphtho[2,3-c]furan-4-one
7-(hydroxymethyl)-4-methoxyfuro[3,2-g]chromen-5-one
(4s,6s,7ar)-6-bromo-5,5-dimethyl-4,6,7,7a-tetrahydro-2h-1-benzofuran-4-ol
C10H15BrO2 (246.02553500000002)