Exact Mass: 246.052821

Exact Mass Matches: 246.052821

Found 235 metabolites which its exact mass value is equals to given mass value 246.052821, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 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].

   

2,3,4,6-Tetrahydroxybenzophenone

2,3,4,6-Tetrahydroxybenzophenone

C13H10O5 (246.052821)


   
   

dihydrocamalexic acid

(R)-dihydrocamalexic acid

C12H10N2O2S (246.046296)


   

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).

   

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.

   

2,2',4,4'-Tetrahydroxybenzophenone

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

C13H10O5 (246.052821)


   

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)


   

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].

   
   

6-methoxysorigenin

6-methoxysorigenin

C13H10O5 (246.052821)


   
   

5-Chloro-2-hydroxy-4-methylbenzophenone

5-Chloro-2-hydroxy-4-methylbenzophenone

C14H11ClO2 (246.0447536)


   

2,2,4,4-Tetrahydroxybenzophenone

2,2`,4,4`-Tetrahydroxybenzophenone

C13H10O5 (246.052821)


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

2,7,9-trimethyl-4H-pyrido[3,2:4,5]thieno[3,2-d][1,3]oxazin-4-one

C12H10N2O2S (246.046296)


   

SCHEMBL22156268

SCHEMBL22156268

C13H10O5 (246.052821)


   

(S)-4-(4-hydroxyphenyl)-2-butanol 2-O-sulfate

(S)-4-(4-hydroxyphenyl)-2-butanol 2-O-sulfate

C10H14O5S (246.05619140000002)


   

2,4-Dihydroxy-5-carboxy-dibenyl ether|2,4-dihydroxy-5-carboxydiphenyl ether

2,4-Dihydroxy-5-carboxy-dibenyl ether|2,4-dihydroxy-5-carboxydiphenyl ether

C13H10O5 (246.052821)


   
   
   
   

Monosporascol A

Monosporascol A

C13H10O5 (246.052821)


   

Iriflophenone

Benzophenone, 2,4,4,6-tetrahydroxy- (6CI); (4-Hydroxyphenyl)(2,4,6-trihydroxyphenyl)methanone; 2,4,6,4-Tetrahydroxybenzophenone

C13H10O5 (246.052821)


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].

   
   

3,8-dimethoxyfuro[3,2-g]coumarin

3,8-dimethoxyfuro[3,2-g]coumarin

C13H10O5 (246.052821)


   

6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-pyranone

6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-pyranone

C13H10O5 (246.052821)


   
   
   

O1C(=O)C=CC2=C1C=C1OC(OC)=C(OC)C1=C2

O1C(=O)C=CC2=C1C=C1OC(OC)=C(OC)C1=C2

C13H10O5 (246.052821)


   
   

3,6-dimethoxyangelicin

3,6-dimethoxyangelicin

C13H10O5 (246.052821)


   
   
   

methyl 7-formyl-2,5-dihydro-5-oxo-1-benzoxepine-3-carboxylate

methyl 7-formyl-2,5-dihydro-5-oxo-1-benzoxepine-3-carboxylate

C13H10O5 (246.052821)


   
   

2-phenyl-5--thiophene

2-phenyl-5--thiophene

C17H10S (246.050318)


   
   

5,8-dimethoxypsoralen|isopimpinellin|isopinpinellin

5,8-dimethoxypsoralen|isopimpinellin|isopinpinellin

C13H10O5 (246.052821)


   

1-Benzoyl-3-Hydroxy-2-(hydroxymethyl)-4H-Pyran-4-one

1-Benzoyl-3-Hydroxy-2-(hydroxymethyl)-4H-Pyran-4-one

C13H10O5 (246.052821)


   

Benzophenone-2

Benzophenone-2

C13H10O5 (246.052821)


CONFIDENCE Reference Standard (Level 1)

   

5,6-dimethoxyfuro[2,3-h]chromen-2-one

NCGC00095242-05!5,6-dimethoxyfuro[2,3-h]chromen-2-one

C13H10O5 (246.052821)


   

4,9-dimethoxyfuro[3,2-g]chromen-7-one

NCGC00095569-05!4,9-dimethoxyfuro[3,2-g]chromen-7-one

C13H10O5 (246.052821)


   

(3-hydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone

NCGC00385363-01!(3-hydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone

C13H10O5 (246.052821)


   

Isopimpinellin

Isopimpinellin

C13H10O5 (246.052821)


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]

NCGC00095569-05!4,9-dimethoxyfuro[3,2-g]chromen-7-one [IIN-based: Match]

C13H10O5 (246.052821)


   

4,9-dimethoxyfuro[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000847638]

NCGC00095569-05!4,9-dimethoxyfuro[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000847638]

C13H10O5 (246.052821)


   

2,3,4,6-Tetrahydroxybenzophenone_major

2,3,4,6-Tetrahydroxybenzophenone_major

C13H10O5 (246.052821)


   

Pimpinellin_major

Pimpinellin_major

C13H10O5 (246.052821)


   

Benzyldisulfide

4,4'-Biphenyldiglyoxal disodium bisulfite

C14H14S2 (246.0536884)


Dibenzyl disulfide is an endogenous metabolite.

   

Coriandrone C

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

C13H10O5 (246.052821)


   

HISPIDIN

HISPIDIN

C13H10O5 (246.052821)


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-Chloro-2-hydroxy-5-methylbenzophenone

Methanone,(2-chlorophenyl)(2-hydroxy-5-methylphenyl)-

C14H11ClO2 (246.0447536)


   

Benzenemethanol,4-chloro-, 1-benzoate

Benzenemethanol,4-chloro-, 1-benzoate

C14H11ClO2 (246.0447536)


   
   

4-(benzyloxy)benzoyl chloride

4-(benzyloxy)benzoyl chloride

C14H11ClO2 (246.0447536)


   
   

3-CHLORO-4-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID

3-CHLORO-4-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID

C14H11ClO2 (246.0447536)


   

3-(4-FLUOROPHENYL)PIPERIDINE HYDROCHLORIDE

3-(4-FLUOROPHENYL)PIPERIDINE HYDROCHLORIDE

C13H11ClN2O (246.05598659999998)


   

1-Isoquinolinecarbonitrile,2-(3-chloro-1-oxopropyl)-1,2-dihydro-

1-Isoquinolinecarbonitrile,2-(3-chloro-1-oxopropyl)-1,2-dihydro-

C13H11ClN2O (246.05598659999998)


   

4-CHLORO-2-METHOXYBENZOPHENONE

4-CHLORO-2-METHOXYBENZOPHENONE

C14H11ClO2 (246.0447536)


   

2-Amino-9(10H)-acridinone hydrochloride (1:1)

2-Amino-9(10H)-acridinone hydrochloride (1:1)

C13H11ClN2O (246.05598659999998)


   

5-[(1E)-2-(4-Chlorophenyl)ethenyl]-1,3-benzenediol

5-[(1E)-2-(4-Chlorophenyl)ethenyl]-1,3-benzenediol

C14H11ClO2 (246.0447536)


   

2-(2-chlorobenzyloxy)benzaldehyde

2-(2-chlorobenzyloxy)benzaldehyde

C14H11ClO2 (246.0447536)


   

4-[(2-CHLOROBENZYL)OXY]BENZALDEHYDE

4-[(2-CHLOROBENZYL)OXY]BENZALDEHYDE

C14H11ClO2 (246.0447536)


   

3-[(3-CHLOROBENZYL)OXY]BENZALDEHYDE

3-[(3-CHLOROBENZYL)OXY]BENZALDEHYDE

C14H11ClO2 (246.0447536)


   

4-[(4-chlorophenyl)methoxy]benzaldehyde

4-[(4-chlorophenyl)methoxy]benzaldehyde

C14H11ClO2 (246.0447536)


   

2-(2-CHLORO-[1,1-BIPHENYL]-4-YL)ACETIC ACID

2-(2-CHLORO-[1,1-BIPHENYL]-4-YL)ACETIC ACID

C14H11ClO2 (246.0447536)


   

4-chloro-2-methyl- [1,1-Biphenyl]-3-carboxylic acid

4-chloro-2-methyl- [1,1-Biphenyl]-3-carboxylic acid

C14H11ClO2 (246.0447536)


   

3-CHLORO-4-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID

3-CHLORO-4-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID

C14H11ClO2 (246.0447536)


   

4-FLUORO-3-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID

4-FLUORO-3-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID

C14H11ClO2 (246.0447536)


   

5-tert-Butyl-2-methyl-benzenesulfonyl chloride

5-tert-Butyl-2-methyl-benzenesulfonyl chloride

C11H15ClO2S (246.048124)


   

5-(3-Methoxycarbonylphenyl)-furan-2-carboxylic acid

5-(3-Methoxycarbonylphenyl)-furan-2-carboxylic acid

C13H10O5 (246.052821)


   

4-CHLORO-2-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID

4-CHLORO-2-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID

C14H11ClO2 (246.0447536)


   

3-CHLORO-2-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID

3-CHLORO-2-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID

C14H11ClO2 (246.0447536)


   

4-CHLORO-2-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID

4-CHLORO-2-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID

C14H11ClO2 (246.0447536)


   

Methyl 3-(trifluoromethyl)benzoylacetate

Methyl 3-(trifluoromethyl)benzoylacetate

C11H9F3O3 (246.050376)


   

Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate

Methyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate

C11H9F3O3 (246.050376)


   

Acetamide,N-(6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)-2-chloro-

Acetamide,N-(6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)-2-chloro-

C8H11ClN4O3 (246.0519646)


   
   

2-CHLORO-2-HYDROXY-4-METHYLBENZOPHEN&

2-Chloro-2-hydroxy-4-methylbenzophenone

C14H11ClO2 (246.0447536)


   

(2-CHLOROBIPHENYL-2-YL)ACETICACID

(2-CHLOROBIPHENYL-2-YL)ACETICACID

C14H11ClO2 (246.0447536)


   

(2-Chloro-3-biphenylyl)acetic acid

(2-Chloro-3-biphenylyl)acetic acid

C14H11ClO2 (246.0447536)


   

(3-CHLOROBIPHENYL-3-YL)ACETICACID

(3-CHLOROBIPHENYL-3-YL)ACETICACID

C14H11ClO2 (246.0447536)


   

(4-Chloro-2-biphenylyl)acetic acid

(4-Chloro-2-biphenylyl)acetic acid

C14H11ClO2 (246.0447536)


   

METHYL 3-CHLORO-[1,1-BIPHENYL]-2-CARBOXYLATE

METHYL 3-CHLORO-[1,1-BIPHENYL]-2-CARBOXYLATE

C14H11ClO2 (246.0447536)


   

(3-chlorophenyl)-(3-methoxyphenyl)methanone

(3-chlorophenyl)-(3-methoxyphenyl)methanone

C14H11ClO2 (246.0447536)


   

[4-[4-(sulfanylmethyl)phenyl]phenyl]methanethiol

[4-[4-(sulfanylmethyl)phenyl]phenyl]methanethiol

C14H14S2 (246.0536884)


   

METHYL 5-(TERT-BUTYL)-3-(CHLOROMETHYL)THIOPHENE-2-CARBOXYLATE

METHYL 5-(TERT-BUTYL)-3-(CHLOROMETHYL)THIOPHENE-2-CARBOXYLATE

C11H15ClO2S (246.048124)


   

2,3,4,4-Tetrahydroxybenzophenone

2,3,4,4-Tetrahydroxybenzophenone

C13H10O5 (246.052821)


   
   

4-[(3-CHLOROBENZYL)OXY]BENZENECARBALDEHYDE

4-[(3-CHLOROBENZYL)OXY]BENZENECARBALDEHYDE

C14H11ClO2 (246.0447536)


   

(3-CHLOROBIPHENYL-2-YL)ACETICACID

(3-CHLOROBIPHENYL-2-YL)ACETICACID

C14H11ClO2 (246.0447536)


   

3-CHLORO-3-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID

3-CHLORO-3-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID

C14H11ClO2 (246.0447536)


   

1-(4,6-dichloro-1,3,5-triazin-2-yl)azepane

1-(4,6-dichloro-1,3,5-triazin-2-yl)azepane

C9H12Cl2N4 (246.0438972)


   

6-chloro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole

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

8-chloro-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole

C13H11ClN2O (246.05598659999998)


   

ETHYL3-TRIFLUOROMETHYLBENZOYLACETATE?

ETHYL3-TRIFLUOROMETHYLBENZOYLACETATE?

C11H9F3O3 (246.050376)


   

4-Pentylbenzenesulfonyl chloride

4-Pentylbenzenesulfonyl chloride

C11H15ClO2S (246.048124)


   

2-(BENZYLOXY)-5-CHLOROBENZALDEHYDE

2-(BENZYLOXY)-5-CHLOROBENZALDEHYDE

C14H11ClO2 (246.0447536)


   

2-(3-chloro-4-methylphenyl)benzoic acid

2-(3-chloro-4-methylphenyl)benzoic acid

C14H11ClO2 (246.0447536)


   

METHYL 4-CHLORO-[1,1-BIPHENYL]-3-CARBOXYLATE

METHYL 4-CHLORO-[1,1-BIPHENYL]-3-CARBOXYLATE

C14H11ClO2 (246.0447536)


   

[(2S)-2,3-dihydroxypropyl] 4-methylbenzenesulfonate

[(2S)-2,3-dihydroxypropyl] 4-methylbenzenesulfonate

C10H14O5S (246.05619140000002)


   

p-[(p-Nitrophenyl)thio]aniline

p-[(p-Nitrophenyl)thio]aniline

C12H10N2O2S (246.046296)


   

2-Amino-2-nitro diphenyl sulfide

2-Amino-2-nitro diphenyl sulfide

C12H10N2O2S (246.046296)


   

2-(4-fluorobenzylsulfonyl)acetamidoxime

2-(4-fluorobenzylsulfonyl)acetamidoxime

C9H11FN2O3S (246.0474388)


   
   
   
   
   

[4-(TERT-BUTYL)PHENYL]METHANESULFONYL CHLORIDE

[4-(TERT-BUTYL)PHENYL]METHANESULFONYL CHLORIDE

C11H15ClO2S (246.048124)


   

1,2-Bis(4-fluorophenyl)-1,2-ethanedione

1,2-Bis(4-fluorophenyl)-1,2-ethanedione

C14H8F2O2 (246.0492332)


   

4-(phenoxymethyl)benzoyl chloride

4-(phenoxymethyl)benzoyl chloride

C14H11ClO2 (246.0447536)


   
   

3-(Benzyloxy)-5-chlorobenzaldehyde

3-(Benzyloxy)-5-chlorobenzaldehyde

C14H11ClO2 (246.0447536)


   

N-(Piperidin-4-yl)thiophene-2-carboxamide hydrochloride

N-(Piperidin-4-yl)thiophene-2-carboxamide hydrochloride

C10H15ClN2OS (246.05935699999998)


   

1-[4-(2-CHLORO-PHENOXY)-PHENYL]-ETHANONE

1-[4-(2-CHLORO-PHENOXY)-PHENYL]-ETHANONE

C14H11ClO2 (246.0447536)


   

2-Chloro-5-methylbiphenyl-3-carboxylic acid

2-Chloro-5-methylbiphenyl-3-carboxylic acid

C14H11ClO2 (246.0447536)


   

2-Chloro-3-methylbiphenyl-3-carboxylic acid

2-Chloro-3-methylbiphenyl-3-carboxylic acid

C14H11ClO2 (246.0447536)


   

(4-chlorophenyl)-(3-methoxyphenyl)methanone

(4-chlorophenyl)-(3-methoxyphenyl)methanone

C14H11ClO2 (246.0447536)


   

4-(Benzyloxy)-3-chlorobenzaldehyde

4-(Benzyloxy)-3-chlorobenzaldehyde

C14H11ClO2 (246.0447536)


   

3,4-DIMETHOXYPHENYLSULFONYLETHANOL

3,4-DIMETHOXYPHENYLSULFONYLETHANOL

C10H14O5S (246.05619140000002)


   

5-CHLORO-3-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID

5-CHLORO-3-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID

C14H11ClO2 (246.0447536)


   

2-Chloro-6-methylbiphenyl-3-carboxylic acid

2-Chloro-6-methylbiphenyl-3-carboxylic acid

C14H11ClO2 (246.0447536)


   

2-Chloro-4-methylbiphenyl-3-carboxylic acid

2-Chloro-4-methylbiphenyl-3-carboxylic acid

C14H11ClO2 (246.0447536)


   

3-CARBOETHOXY-2,2,2-TRIFLUOROACETOPHENONE

3-CARBOETHOXY-2,2,2-TRIFLUOROACETOPHENONE

C11H9F3O3 (246.050376)


   
   

diethyl tetrafluorosuccinate

diethyl tetrafluorosuccinate

C8H10F4O4 (246.0515188)


   

Methanone,(4-chlorophenyl)(4-methoxyphenyl)-

Methanone,(4-chlorophenyl)(4-methoxyphenyl)-

C14H11ClO2 (246.0447536)


   

(4-Chloro-4-biphenylyl)acetic acid

(4-Chloro-4-biphenylyl)acetic acid

C14H11ClO2 (246.0447536)


   
   

Benzene,1,1-[1,2-ethanediylbis(thio)]bis-

Benzene,1,1-[1,2-ethanediylbis(thio)]bis-

C14H14S2 (246.0536884)


   

para-Tolyl disulfide

para-Tolyl disulfide

C14H14S2 (246.0536884)


   

4,4,4-Trifluoro-1-(4-methoxyphenyl)butane-1,3-dione

4,4,4-Trifluoro-1-(4-methoxyphenyl)butane-1,3-dione

C11H9F3O3 (246.050376)


   

3-[(2-CHLOROBENZYL)OXY]BENZALDEHYDE

3-[(2-CHLOROBENZYL)OXY]BENZALDEHYDE

C14H11ClO2 (246.0447536)


   
   

2-(4-chlorophenyl)-2-phenylacetic acid

2-(4-chlorophenyl)-2-phenylacetic acid

C14H11ClO2 (246.0447536)


   

2-[(4-chlorophenyl)methoxy]benzaldehyde

2-[(4-chlorophenyl)methoxy]benzaldehyde

C14H11ClO2 (246.0447536)


   

4-(2-methylbutan-2-yl)benzenesulfonyl chloride

4-(2-methylbutan-2-yl)benzenesulfonyl chloride

C11H15ClO2S (246.048124)


   

5-TERT-BUTYL-2-METHOXY-BENZENESULFONYL CHLORIDE

5-TERT-BUTYL-2-METHOXY-BENZENESULFONYL CHLORIDE

C13H11ClN2O (246.05598659999998)


   

2-phenylmethoxybenzoyl chloride

2-phenylmethoxybenzoyl chloride

C14H11ClO2 (246.0447536)


   

(4-Chloro-3-biphenylyl)acetic acid

(4-Chloro-3-biphenylyl)acetic acid

C14H11ClO2 (246.0447536)


   

2-(4-Chlorophenyl)hydrazidebenzoicacid

2-(4-Chlorophenyl)hydrazidebenzoicacid

C13H11ClN2O (246.05598659999998)


   

5-amino-4-cyano-1-(4-fluorophenyl)pyrazole-3-carboxylic acid

5-amino-4-cyano-1-(4-fluorophenyl)pyrazole-3-carboxylic acid

C11H7FN4O2 (246.0553014)


   

6H-Dibenz(c,e)(1,2)oxaphosphorin-6-methanol 6-oxide

6H-Dibenz(c,e)(1,2)oxaphosphorin-6-methanol 6-oxide

C13H11O3P (246.0445786)


   

ethyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate

ethyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate

C12H10N2O2S (246.046296)


   
   

3-(BENZYLOXY)BENZOYL CHLORIDE

3-(BENZYLOXY)BENZOYL CHLORIDE

C14H11ClO2 (246.0447536)


   

N4-(4-METHYLPHENYL)-2-CHLOROISONICOTINAMIDE

N4-(4-METHYLPHENYL)-2-CHLOROISONICOTINAMIDE

C13H11ClN2O (246.05598659999998)


   

3-(2-Chloro-3-methylphenyl)benzoic acid

3-(2-Chloro-3-methylphenyl)benzoic acid

C14H11ClO2 (246.0447536)


   

Phosphorothioic acid,O,O-diethyl O-phenyl ester

Phosphorothioic acid,O,O-diethyl O-phenyl ester

C10H15O3PS (246.047949)


   

4-(Benzyloxy)-2-chlorobenzaldehyde

4-(Benzyloxy)-2-chlorobenzaldehyde

C14H11ClO2 (246.0447536)


   

3-(benzyloxy)-2-chlorobenzaldehyde

3-(benzyloxy)-2-chlorobenzaldehyde

C14H11ClO2 (246.0447536)


   

2-(PHENOXYMETHYL)BENZOYL CHLORIDE 97

2-(PHENOXYMETHYL)BENZOYL CHLORIDE 97

C14H11ClO2 (246.0447536)


   

METHYL 2-AMINO-8H-INDENO[1,2-D]THIAZOLE-5-CARBOXYLATE

METHYL 2-AMINO-8H-INDENO[1,2-D]THIAZOLE-5-CARBOXYLATE

C12H10N2O2S (246.046296)


   

2-benzyl-4-chlorobenzoic acid

2-benzyl-4-chlorobenzoic acid

C14H11ClO2 (246.0447536)


   

3-[(4-CHLOROBENZYL)OXY]BENZALDEHYDE

3-[(4-CHLOROBENZYL)OXY]BENZALDEHYDE

C14H11ClO2 (246.0447536)


   

(3-Chloro-4-biphenylyl)acetic acid

(3-Chloro-4-biphenylyl)acetic acid

C14H11ClO2 (246.0447536)


   

2-[(2-Aminophenyl)sulfanyl]benzoic acid

2-[(2-Aminophenyl)sulfanyl]benzoic acid

C13H12NO2S (246.0588712)


   

4,4,4-TRIFLUORO-1-(3-METHOXY-PHENYL)-BUTANE-1,3-DIONE

4,4,4-TRIFLUORO-1-(3-METHOXY-PHENYL)-BUTANE-1,3-DIONE

C11H9F3O3 (246.050376)


   

METHYL 4-CHLORO[1,1-BIPHENYL]-4-CARBOXYLATE

METHYL 4-CHLORO[1,1-BIPHENYL]-4-CARBOXYLATE

C14H11ClO2 (246.0447536)


   

2-(benzylthio)-3-nitropyridine

2-(benzylthio)-3-nitropyridine

C12H10N2O2S (246.046296)


   

Ethyl 3-oxo-3-(2,4,5-trifluorophenyl)propanoate

Ethyl 3-oxo-3-(2,4,5-trifluorophenyl)propanoate

C11H9F3O3 (246.050376)


   

N-(5-chloropyridin-2-yl)-4-methylbenzamide

N-(5-chloropyridin-2-yl)-4-methylbenzamide

C13H11ClN2O (246.05598659999998)


   

3-Benzyloxy-4-oxo-4H-pyran-2-carboxylic acid

3-Benzyloxy-4-oxo-4H-pyran-2-carboxylic acid

C13H10O5 (246.052821)


   

(R)-Glycerol 1-(p-toluenesulfonate)

(R)-Glycerol 1-(p-toluenesulfonate)

C10H14O5S (246.05619140000002)


   

Methyl 3-(trifluoromethoxy)cinnamate

Methyl 3-(trifluoromethoxy)cinnamate

C11H9F3O3 (246.050376)


   

3-METHYL-5-(TRIFLUOROMETHOXY)CINNAMIC ACID

3-METHYL-5-(TRIFLUOROMETHOXY)CINNAMIC ACID

C11H9F3O3 (246.050376)


   

N-Cyclopropyl-2-nitro-4-(trifluoromethyl)aniline

N-Cyclopropyl-2-nitro-4-(trifluoromethyl)aniline

C10H9F3N2O2 (246.061609)


   
   

2-nitro-5-(phenylthio)aniline

2-nitro-5-(phenylthio)aniline

C12H10N2O2S (246.046296)


   

methyl 2-trifluoromethylbenzoylacetate

methyl 2-trifluoromethylbenzoylacetate

C11H9F3O3 (246.050376)


   

4-oxo-5-(phenylmethoxy)-4H-Pyran-2-carboxylic acid

4-oxo-5-(phenylmethoxy)-4H-Pyran-2-carboxylic acid

C13H10O5 (246.052821)


   

2,3,4,5,6-PentaMethylbenzenesulfonyl chloride

2,3,4,5,6-PentaMethylbenzenesulfonyl chloride

C11H15ClO2S (246.048124)


   

methyl 4-trifluoromethylbenzoylacetate

methyl 4-trifluoromethylbenzoylacetate

C11H9F3O3 (246.050376)


   

(3-CHLORO-BENZYL)-HYDRAZINE

(3-CHLORO-BENZYL)-HYDRAZINE

C14H11ClO2 (246.0447536)


   
   

1-[4-(4-Chlorophenoxy)phenyl]ethanone

1-[4-(4-Chlorophenoxy)phenyl]ethanone

C14H11ClO2 (246.0447536)


   

4H-[1]-BENZOPYRANO[4 3-B]THIOPHENE-2-CA&

4H-[1]-BENZOPYRANO[4 3-B]THIOPHENE-2-CA&

C12H10N2O2S (246.046296)


   

4,6-dichloro-N-cyclohexyl-1,3,5-triazin-2-amine

4,6-dichloro-N-cyclohexyl-1,3,5-triazin-2-amine

C9H12Cl2N4 (246.0438972)


   

ETHYL OXO-(4-TRIFLUOROMETHYLPHENYL)ACETATE

ETHYL OXO-(4-TRIFLUOROMETHYLPHENYL)ACETATE

C11H9F3O3 (246.050376)


   

1-(4-chlorophenyl)-2-hydroxy-2-phenylethanone

1-(4-chlorophenyl)-2-hydroxy-2-phenylethanone

C14H11ClO2 (246.0447536)


   

CYCLOPENTADIENYL(TRIETHYLPHOSPHINE)COPPER (I)

CYCLOPENTADIENYL(TRIETHYLPHOSPHINE)COPPER (I)

C11H20CuP (246.059854)


   

Methyl 4-(trifluoromethyl)benzoylacetate

Methyl 4-(trifluoromethyl)benzoylacetate

C11H9F3O3 (246.050376)


   

3-(4-Chlorobutanoyl)-1H-indole-5-carbonitrile

3-(4-Chlorobutanoyl)-1H-indole-5-carbonitrile

C13H11ClN2O (246.05598659999998)


   

(Z)-1-CHLORO-2-(2-(4-FLUOROPHENYL)PROP-1-EN-1-YL)BENZENE

(Z)-1-CHLORO-2-(2-(4-FLUOROPHENYL)PROP-1-EN-1-YL)BENZENE

C15H12ClF (246.06115139999997)


   

N-(4-Formyl-1,3-thiazol-2-yl)-N-phenylacetamide

N-(4-Formyl-1,3-thiazol-2-yl)-N-phenylacetamide

C12H10N2O2S (246.046296)


   

3,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2H-pyran-2-one

3,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2H-pyran-2-one

C13H10O5 (246.052821)


   

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

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

C11H10N4OS (246.057529)


   

2-(Difluoromethyl)benzo[h]chromen-4-one

2-(Difluoromethyl)benzo[h]chromen-4-one

C14H8F2O2 (246.0492332)


   
   

Isopimpinellin

7H-Furo(3,2-g)(1)benzopyran-7-one, 4,9-dimethoxy- (8CI)(9CI)

C13H10O5 (246.052821)


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-carboxy-8-(methylsulfanyl)-2-oxooctanoate

3-carboxy-8-(methylsulfanyl)-2-oxooctanoate

C10H14O5S-2 (246.05619140000002)


   

[(2S,3S,4S,5S)-2,3,4,5-tetrahydroxyhexyl] dihydrogen phosphate

[(2S,3S,4S,5S)-2,3,4,5-tetrahydroxyhexyl] dihydrogen phosphate

C6H15O8P (246.05045199999998)


   
   

Bis[(2s)-2,3-Dihydroxypropyl] Hydrogen Phosphate

Bis[(2s)-2,3-Dihydroxypropyl] Hydrogen Phosphate

C6H15O8P (246.05045199999998)


   

(S)-dihydrocamalexic acid

(S)-dihydrocamalexic acid

C12H10N2O2S (246.046296)


   

N-[(E)-(2-methylphenyl)methylideneamino]thiadiazole-4-carboxamide

N-[(E)-(2-methylphenyl)methylideneamino]thiadiazole-4-carboxamide

C11H10N4OS (246.057529)


   

3-(4-Methoxyphenyl)propyl hydrogen sulate

3-(4-Methoxyphenyl)propyl hydrogen sulate

C10H14O5S (246.05619140000002)


   

2-Chlorobenzyl benzoate

2-Chlorobenzyl benzoate

C14H11ClO2 (246.0447536)


   
   

(R)-dihydrocamalexic acid

(R)-dihydrocamalexic acid

C12H10N2O2S (246.046296)


   

Sn-glycero-3-phospho-(1-sn-glycerol)

Sn-glycero-3-phospho-(1-sn-glycerol)

C6H15O8P (246.05045199999998)


   

2,3',4,6-Tetrahydroxybenzophenone

2,3',4,6-Tetrahydroxybenzophenone

C13H10O5 (246.052821)


   

Tetrahydroxybenzophenone

Tetrahydroxybenzophenone

C13H10O5 (246.052821)


   

[4-(4-hydroxyphenyl)butan-2-yl]oxysulfonic acid

[4-(4-hydroxyphenyl)butan-2-yl]oxysulfonic acid

C10H14O5S (246.05619140000002)


   

7,8-dihydroxy-3-methyl-1h-pyrano[4,3-b]chromen-10-one

7,8-dihydroxy-3-methyl-1h-pyrano[4,3-b]chromen-10-one

C13H10O5 (246.052821)


   

2,4'-dihydroxy-5-carboxy-dibenyl ether

NA

C13H10O5 (246.052821)


{"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

[(2r)-4-(4-hydroxyphenyl)butan-2-yl]oxysulfonic acid

C10H14O5S (246.05619140000002)


   

3,6-dimethoxyfuro[2,3-h]chromen-2-one

3,6-dimethoxyfuro[2,3-h]chromen-2-one

C13H10O5 (246.052821)


   

[(2s)-4-(4-hydroxyphenyl)butan-2-yl]oxysulfonic acid

[(2s)-4-(4-hydroxyphenyl)butan-2-yl]oxysulfonic acid

C10H14O5S (246.05619140000002)


   

8,9-dihydroxy-6-methoxy-3h-naphtho[2,3-c]furan-1-one

8,9-dihydroxy-6-methoxy-3h-naphtho[2,3-c]furan-1-one

C13H10O5 (246.052821)


   

4-hydroxy-7-methoxy-1h,3h-naphtho[2,3-c]furan-5,8-dione

4-hydroxy-7-methoxy-1h,3h-naphtho[2,3-c]furan-5,8-dione

C13H10O5 (246.052821)


   

(6s)-5-hydroxy-2,6-dimethyl-6h-furo[3,4-g]chromene-4,8-dione

(6s)-5-hydroxy-2,6-dimethyl-6h-furo[3,4-g]chromene-4,8-dione

C13H10O5 (246.052821)


   

(9s)-5,9-dihydroxy-7-methoxy-9h-naphtho[2,3-c]furan-4-one

(9s)-5,9-dihydroxy-7-methoxy-9h-naphtho[2,3-c]furan-4-one

C13H10O5 (246.052821)


   

5-hydroxy-2,6-dimethyl-6h-furo[3,4-g]chromene-4,8-dione

5-hydroxy-2,6-dimethyl-6h-furo[3,4-g]chromene-4,8-dione

C13H10O5 (246.052821)


   

2-(hepta-1,3,5-triyn-1-yl)-5-phenylthiophene

2-(hepta-1,3,5-triyn-1-yl)-5-phenylthiophene

C17H10S (246.050318)


   

7-propanoyl-2h-[1,3]dioxolo[4,5-g]isochromen-5-one

7-propanoyl-2h-[1,3]dioxolo[4,5-g]isochromen-5-one

C13H10O5 (246.052821)


   

4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one

4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one

C13H10O5 (246.052821)


   

5,9-dihydroxy-7-methoxy-9h-naphtho[2,3-c]furan-4-one

5,9-dihydroxy-7-methoxy-9h-naphtho[2,3-c]furan-4-one

C13H10O5 (246.052821)


   

7-(hydroxymethyl)-4-methoxyfuro[3,2-g]chromen-5-one

7-(hydroxymethyl)-4-methoxyfuro[3,2-g]chromen-5-one

C13H10O5 (246.052821)


   

5,9-dimethoxyfuro[3,2-g]chromen-7-one

5,9-dimethoxyfuro[3,2-g]chromen-7-one

C13H10O5 (246.052821)


   

4-hydroxy-3-(4-hydroxyphenoxy)benzoic acid

4-hydroxy-3-(4-hydroxyphenoxy)benzoic acid

C13H10O5 (246.052821)


   

3-acetyl-5-hydroxy-2-(hydroxymethyl)naphthalene-1,4-dione

3-acetyl-5-hydroxy-2-(hydroxymethyl)naphthalene-1,4-dione

C13H10O5 (246.052821)


   

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

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

C13H10O5 (246.052821)


   

1-hydroxy-3-methyl-5,8-dioxonaphthalen-2-yl acetate

1-hydroxy-3-methyl-5,8-dioxonaphthalen-2-yl acetate

C13H10O5 (246.052821)


   

methyl 7-formyl-5-oxo-2h-1-benzoxepine-3-carboxylate

methyl 7-formyl-5-oxo-2h-1-benzoxepine-3-carboxylate

C13H10O5 (246.052821)


   

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

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

C13H10O5 (246.052821)


   

6-(2h-1,3-benzodioxol-4-yl)-4-methoxypyran-2-one

6-(2h-1,3-benzodioxol-4-yl)-4-methoxypyran-2-one

C13H10O5 (246.052821)


   

6-(2h-1,3-benzodioxol-5-yl)-4-methoxypyran-2-one

6-(2h-1,3-benzodioxol-5-yl)-4-methoxypyran-2-one

C13H10O5 (246.052821)