Exact Mass: 246.0445786

Exact Mass Matches: 246.0445786

Found 500 metabolites which its exact mass value is equals to given mass value 246.0445786, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Isopimpinellin

InChI=1/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3

C13H10O5 (246.052821)

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

2H-Furo(2,3-h)-1-benzopyran-2-one, 5,6-dimethoxy-

C13H10O5 (246.052821)

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].

Floxuridine

5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

C9H11FN2O5 (246.06519680000002)

An antineoplastic antimetabolite that is metabolized to fluorouracil when administered by rapid injection. Floxuridine is available as a sterile, nonpyrogenic, lyophilized powder for reconstitution. When administered by slow, continuous, intra-arterial infusion, it is converted to floxuridine monophosphate. It has been used to treat hepatic metastases of gastrointestinal adenocarcinomas and for palliation in malignant neoplasms of the liver and gastrointestinal tract. [PubChem] L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BC - Pyrimidine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents Floxuridine (5-Fluorouracil 2'-deoxyriboside) is a?pyrimidine?analog?and known as an?oncology antimetabolite. Floxuridine inhibits Poly(ADP-Ribose) polymerase and induces DNA damage by activating the ATM and ATR checkpoint signaling pathways in vitro. Floxuridine is a extreamly potent inhibitor for S. aureus infection and induces cell apoptosis[1][2]. Floxuridine has antiviral effects against HSV and CMV[3].

Oxydemeton-methyl

Phosphorothioic acid, S-(2-(ethylsulphinyl)ethyl) O,O-dimethyl ester

C6H15O4PS2 (246.01493599999998)

D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals

Fonofos

Dyphonate

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

2,3,4,6-Tetrahydroxybenzophenone

C13H10O5 (246.052821)

Phosphatidyl glycerol

Glycerophosphoglycerol

C6H15O8P (246.05045199999998)

Busulfan

4-(methanesulfonyloxy)butyl methanesulfonate

C6H14O6S2 (246.0231784)

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

5'-Deoxy-5-fluorouridine

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-hydroxy-1,2-dihydropyrimidin-2-one

C9H11FN2O5 (246.06519680000002)

5-Deoxy-5-fluorouridine is a metabolite of capecitabine. Capecitabine (Xeloda, Roche) is an orally-administered chemotherapeutic agent used in the treatment of metastatic breast and colorectal cancers. Capecitabine is a prodrug, that is enzymatically converted to 5-fluorouracil in the tumor, where it inhibits DNA synthesis and slows growth of tumor tissue. (Wikipedia) D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D019167 - Appetite Stimulants C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents Same as: D01309 Doxifluridine has anticancer activity. Doxifluidine is a 5-FU prodrug. Doxifluridine is a thymidine synthase inhibitor. Doxifluridine can enhance tumor inhibition by synergizing with a variety of drugs[1][2][3].

dihydrocamalexic acid

(R)-dihydrocamalexic acid

C12H10N2O2S (246.046296)

magnesium sulfate

magnesium sulfate heptahydrate

MgSO4. 7H2O (246.0107314)

Same as: D01108

Dibenzyl disulfide

InChI=1/C14H14S2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-10H,11-12H

C14H14S2 (246.0536884)

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

7-Hydroxymethyl-4-methoxy-5H-furo[2,3-g][2]benzopyran-5-one

C13H10O5 (246.052821)

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).

3-(3-hydroxyphenyl)propionate sulfate

3-(3-Hydroxyphenyl)propanoic acid sulphuric acid

C9H10O6S (246.019808)

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-(Sulphooxy)phenyl]propanoic acid

C9H10O6S (246.019808)

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

[(2R)-2,3-dihydroxypropoxy][(2S)-2,3-dihydroxypropoxy]phosphinic acid

C6H15O8P (246.05045199999998)

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.

Ethylparaben sufate

[4-(ethoxycarbonyl)phenyl]oxidanesulfonic acid

C9H10O6S (246.019808)

1-(3,4-Dihydroxy-5-methyl-2-oxolanyl)-5-fluoropyrimidine-2,4-dione

1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione

C9H11FN2O5 (246.06519680000002)

2,2',4,4'-Tetrahydroxybenzophenone

4-(2,4-dihydroxybenzoyl)benzene-1,3-diol

C13H10O5 (246.052821)

5-Fluoro-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione

C9H11FN2O5 (246.06519680000002)

5'-Deoxy-5'-fluorouridine

1-[5-(fluoromethyl)-3,4-dihydroxyoxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

C9H11FN2O5 (246.06519680000002)

9-Deaza-9-(3-thienylmethyl)guanine

2-amino-7-[(thiophen-3-yl)methyl]-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one

C11H10N4OS (246.057529)

Hydrazinecarbothioamide,2-[2-[2-(aminothioxomethyl)-2-methylhydrazinylidene]propylidene]-N-methyl-

C7H14N6S2 (246.0721324)

Hispidin

6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2H-pyran-2-one

C13H10O5 (246.052821)

Iriflophenone

2-(4-hydroxybenzoyl)benzene-1,3,5-triol

C13H10O5 (246.052821)

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].

S-Nitrosocaptopril

1-[2-Methyl-3-(nitrososulphanyl)propanoyl]pyrrolidine-2-carboxylic acid

C9H14N2O4S (246.0674244)

trioxyethylene dimethacrylate

2-{[(2-methylprop-2-enoyl)peroxy]peroxy}ethyl 2-methylprop-2-enoic acid

C10H14O7 (246.0739494)

D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials

urea citrate

7-hydroxy-4,10,11-trioxa-1,3-diazabicyclo[5.3.2]dodecane-2,5,9,12-tetrone

C7H6N2O8 (246.0124156)

Arctinone

1-{5-[5-(prop-1-yn-1-yl)thiophen-2-yl]thiophen-2-yl}ethan-1-one

C13H10OS2 (246.017305)

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

Magnesium sulphuric acid (1:1) heptahydric acid

H14MgO11S (246.0107314)

It is used in foods as a flavour enhancer, nutrient supplement and processing aid

Mansouramycin C

C12H10N2O4 (246.064054)

spongiacidin C

C11H10N4O3 (246.075287)

(2R,4R,6S)-6-Bromo-1,4-epoxy-3(8)-ochtoden-2-ol

(3alpha,6beta,7aalpha)-(-)-6-bromo-2,3,5,6,7,7a-hexahydro-5,5-dimethyl-3-benzofuranol

C10H15BrO2 (246.02553500000002)

(4R,6S,8S)-6-Bromo-1,4-epoxy-2-ochtoden-8-ol

(4alpha,6beta,7aalpha)-(+)-6-bromo-2,4,5,6,7,7a-hexahydro-5,5-dimethyl-4-benzofuranol

C10H15BrO2 (246.02553500000002)

Citromycin

C13H10O5 (246.052821)

6-methoxysorigenin

C13H10O5 (246.052821)

Bhimamycin E

C13H10O5 (246.052821)

(2S,4R,6S)-6-Bromo-1,4-epoxy-3(8)-ochtoden-2-ol

(3alpha,6alpha,7abeta)-(-)-6-bromo-2,3,5,6,7,7a-hexahydro-5,5-dimethyl-3-benzofuranol