Exact Mass: 246.0448
Exact Mass Matches: 246.0448
Found 218 metabolites which its exact mass value is equals to given mass value 246.0448
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within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 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].
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).
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.
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].
2,2,4,4-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
2,4-Dihydroxy-5-carboxy-dibenyl ether|2,4-dihydroxy-5-carboxydiphenyl ether
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].
6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-pyranone
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
(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]
Benzyldisulfide
Dibenzyl disulfide is an endogenous metabolite.
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].
3-CHLORO-4-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
5-[(1E)-2-(4-Chlorophenyl)ethenyl]-1,3-benzenediol
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
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-
METHYL 5-(TERT-BUTYL)-3-(CHLOROMETHYL)THIOPHENE-2-CARBOXYLATE
7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine
3-CHLORO-3-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
((4-(DIMETHYLAMINO)PHENYL)METHYLENE)METHANE-1,1-DICARBONITRILE
2-[2-Fluoro-4-(methylsulfonyl)phenyl]-1,3-dioxolane
2-[4-Fluoro-3-(methylsulfonyl)phenyl]-1,3-dioxolane
5-CHLORO-3-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
trans-3-bromo-1-propen-1-ylboronic acid pinacol ester
4,4,4-Trifluoro-1-(4-methoxyphenyl)butane-1,3-dione
6H-Dibenz(c,e)(1,2)oxaphosphorin-6-methanol 6-oxide
ethyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
METHYL 2-AMINO-8H-INDENO[1,2-D]THIAZOLE-5-CARBOXYLATE
6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridine
4,4,4-TRIFLUORO-1-(3-METHOXY-PHENYL)-BUTANE-1,3-DIONE
4-oxo-5-(phenylmethoxy)-4H-Pyran-2-carboxylic acid
Benzaldehyde,4-(2,3-dihydrothieno[3,4-b]-1,4-dioxin-5-yl)-
3,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2H-pyran-2-one
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].
[(2S,3S,4S,5S)-2,3,4,5-tetrahydroxyhexyl] dihydrogen phosphate
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"}