Exact Mass: 236.072479

Exact Mass Matches: 236.072479

Found 297 metabolites which its exact mass value is equals to given mass value 236.072479, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

5,6,7-Trimethoxycoumarin

5,6,7-Trimethoxycoumarin

C12H12O5 (236.06847019999998)


A member of the class of coumarins that is coumarin substituted by methoxy groups at positions 5, 6 and 7.

   

L-Formylkynurenine

(2S)-2-azaniumyl-4-(2-formamidophenyl)-4-oxobutanoate

C11H12N2O4 (236.07970319999998)


This compound belongs to the family of Butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.

   

Orthosporin

3-(2-hydroxypropyl)-6,8-dihydroxy-1H-isochromen-1-one

C12H12O5 (236.06847019999998)


   

2-(4-methylthio)butylmalate

2-(4-methylthio)butylmalic acid

C9H16O5S (236.0718406)


   

3-(4-methylthio)butylmalate

3-(4-methylthio)butylmalic acid

C9H16O5S (236.0718406)


   

Buturon

Buturon

C12H13ClN2O (236.0716358)


CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8604; ORIGINAL_PRECURSOR_SCAN_NO 8601 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8543; ORIGINAL_PRECURSOR_SCAN_NO 8540 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3999; ORIGINAL_PRECURSOR_SCAN_NO 3997 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8573; ORIGINAL_PRECURSOR_SCAN_NO 8571 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8609; ORIGINAL_PRECURSOR_SCAN_NO 8604 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4000; ORIGINAL_PRECURSOR_SCAN_NO 3997 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8607; ORIGINAL_PRECURSOR_SCAN_NO 8605 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4014; ORIGINAL_PRECURSOR_SCAN_NO 4010 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4010; ORIGINAL_PRECURSOR_SCAN_NO 4007 CONFIDENCE standard compound; INTERNAL_ID 196; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4035; ORIGINAL_PRECURSOR_SCAN_NO 4033

   

SCHEMBL828692

N,N-dihydroxy-L-tryptophan

C11H12N2O4 (236.07970319999998)


   

N'-Formylkynurenine

alpha-Amino-2-(formylamino)-gamma-oxo-benzenebutanoic acid

C11H12N2O4 (236.07970319999998)


Plays an especially improtant role in photobiological responses. The excited states of N-formylkynurenine react to produce hydroxyl radicals. [HMDB] Plays an especially improtant role in photobiological responses. The excited states of N-formylkynurenine react to produce hydroxyl radicals.

   

Austdiol

7,8-Dihydro-7,8-dihydroxy-3,7-dimethyl-6-oxo-6H-2-benzopyran-5-carboxaldehyde, 9ci

C12H12O5 (236.06847019999998)


Austdiol is a toxic metabolite of the food storage mould Aspergillus ustu

   

Dillapional

(2Z)-3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)prop-2-enal

C12H12O5 (236.06847019999998)


Minor constituent of Anethum sowa (Indian dill) oil. Dillapional is found in dill and herbs and spices. Dillapional is found in dill. Dillapional is a minor constituent of Anethum sowa (Indian dill) oi

   

(S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid

2-(7-hydroxy-2-methyl-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl)acetic acid

C12H12O5 (236.06847019999998)


(S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid is found in green vegetables. (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid is a constituent of Rheum sp. (rhubarb). Constituent of Rheum species (rhubarb). (S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid is found in green vegetables.

   

Apional

(2E)-3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)prop-2-enal

C12H12O5 (236.06847019999998)


Apional is found in herbs and spices. Apional is a constituent of parsley (Petroselinum hortense). Constituent of parsley (Petroselinum hortense). Apional is found in herbs and spices.

   

Acetamide, N-[4-[[(aminothioxomethyl)hydrazono]methyl]phenyl]-

N-{4-[({[thio(carbonoimidyl)]amino}imino)methyl]phenyl}ethanimidate

C10H12N4OS (236.07317819999997)


   

4-Acetylaminohippuric acid

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

C11H12N2O4 (236.07970319999998)


   

(2S)-4-(2-Aminophenyl)-2-formamido-4-oxobutanoic acid

4-(2-Aminophenyl)-2-[(hydroxymethylidene)amino]-4-oxobutanoate

C11H12N2O4 (236.07970319999998)


   

Dimethylfraxetin

InChI=1/C12H12O5/c1-14-8-6-7-4-5-9(13)17-10(7)12(16-3)11(8)15-2/h4-6H,1-3H

C12H12O5 (236.06847019999998)


6,7,8-trimethoxy-1-benzopyran-2-one is a member of coumarins. Dimethylfraxetin is a natural product found in Pittosporum illicioides, Garcinia multiflora, and other organisms with data available. Dimethylfraxetin is a Carbonic anhydrase inhibitor, with a Ki value of 0.0097 μM. Dimethylfraxetin is a Carbonic anhydrase inhibitor, with a Ki value of 0.0097 μM.

   
   
   
   

(Z)-(-)-8-Chloro-6-chloromethyl-3-methoxy-2-methyl-1,6--octadiene

(Z)-(-)-8-Chloro-6-chloromethyl-3-methoxy-2-methyl-1,6--octadiene

C11H18Cl2O (236.0734638)


   
   

Murrayacarpin B

8-(HYDROXYMETHYL)-5,7-DIMETHOXYCHROMEN-2-ONE

C12H12O5 (236.06847019999998)


8-(Hydroxymethyl)-5,7-dimethoxychromen-2-one is a natural product found in Murraya paniculata with data available.

   
   

1-{4-hydroxy-2-oxo-6-[(1E)-prop-1-en-1-yl]-2H-pyran-3-yl}butane-1,2-dione

1-{4-hydroxy-2-oxo-6-[(1E)-prop-1-en-1-yl]-2H-pyran-3-yl}butane-1,2-dione

C12H12O5 (236.06847019999998)


   

Harmalol hydrochloride

Harmalol hydrochloride

C12H13ClN2O (236.0716358)


Harmalol hydrochloride, a beta carboline alkaloid, presents in several medicinal plants such as Peganum harmala. Harmalol hydrochloride, main metabolite of Harmaline, significantly inhibits the dioxin-mediated induction of CYP1A1 at the transcriptional and posttranslational levels. Harmalol hydrochloride possesses antioxidant and hydroxyl radical-scavenging properties[1]. Harmalol hydrochloride, a beta carboline alkaloid, presents in several medicinal plants such as Peganum harmala. Harmalol hydrochloride, main metabolite of Harmaline, significantly inhibits the dioxin-mediated induction of CYP1A1 at the transcriptional and posttranslational levels. Harmalol hydrochloride possesses antioxidant and hydroxyl radical-scavenging properties[1].

   
   

(2E,6Z)-8-chloro-6-chloromethyl-1-methoxy-2-methylocta-2,6-diene|Me ether-(2E, 6Z)-8-Chloro-6-chloromethyl-2-methyl-2, 6-octadien-1-ol

(2E,6Z)-8-chloro-6-chloromethyl-1-methoxy-2-methylocta-2,6-diene|Me ether-(2E, 6Z)-8-Chloro-6-chloromethyl-2-methyl-2, 6-octadien-1-ol

C11H18Cl2O (236.0734638)


   
   

3,5-DIISOBUTYL-1,2,4-TRITHIOLANE

3,5-DIISOBUTYL-1,2,4-TRITHIOLANE

C10H20S3 (236.07270800000003)


   

(3R)-5-carbomethoxymellein|(R)-(-)-5-methoxycarbonylmellein|5-carbomethoxy-3,4-dihydro-8-hydroxy-(3R)-methylisocoumarin|5-methoxycarbonylmellein

(3R)-5-carbomethoxymellein|(R)-(-)-5-methoxycarbonylmellein|5-carbomethoxy-3,4-dihydro-8-hydroxy-(3R)-methylisocoumarin|5-methoxycarbonylmellein

C12H12O5 (236.06847019999998)


   

7-hydroxy-4,6-dimethoxy-5-methylcoumarin

7-hydroxy-4,6-dimethoxy-5-methylcoumarin

C12H12O5 (236.06847019999998)


   

6-hydroxy-7,8-dimethoxy-4-methyl-chromen-2-one|6-hydroxy-7,8-dimethoxy-4-methyl-coumarin|6-Hydroxy-7,8-dimethoxy-4-methyl-cumarin|troupin (F)

6-hydroxy-7,8-dimethoxy-4-methyl-chromen-2-one|6-hydroxy-7,8-dimethoxy-4-methyl-coumarin|6-Hydroxy-7,8-dimethoxy-4-methyl-cumarin|troupin (F)

C12H12O5 (236.06847019999998)


   
   

5-methyl-5-(3-oxo-cyclohex-1-enyl)-barbituric acid|5-Methyl-5-(3-oxo-cyclohex-1-enyl)-barbitursaeure|5-methyl-5-(3-oxo-cyclohex-1-enyl)-pyrimidine-2,4,6-trione|5-Methyl-5-<3-oxo-cyclohexen-(1)-yl>-barbitursaeure

5-methyl-5-(3-oxo-cyclohex-1-enyl)-barbituric acid|5-Methyl-5-(3-oxo-cyclohex-1-enyl)-barbitursaeure|5-methyl-5-(3-oxo-cyclohex-1-enyl)-pyrimidine-2,4,6-trione|5-Methyl-5-<3-oxo-cyclohexen-(1)-yl>-barbitursaeure

C11H12N2O4 (236.07970319999998)


   
   
   

6-methoxy-7-(2-hydroxyethoxy)coumarin

6-methoxy-7-(2-hydroxyethoxy)coumarin

C12H12O5 (236.06847019999998)


   

(2E,4E)-2-ethyl-5-(4-methyl-2,5-dioxo-2,5-dihydrofuran-3-yl)penta-2,4-dienoic acid|2,3-didehydrotelfairic anhydride

(2E,4E)-2-ethyl-5-(4-methyl-2,5-dioxo-2,5-dihydrofuran-3-yl)penta-2,4-dienoic acid|2,3-didehydrotelfairic anhydride

C12H12O5 (236.06847019999998)


   

3,6,7,8-tetrahydro-4,7,8-trihydroxynaphtho[2,3-c]furan-5(1H)-one|nodulone

3,6,7,8-tetrahydro-4,7,8-trihydroxynaphtho[2,3-c]furan-5(1H)-one|nodulone

C12H12O5 (236.06847019999998)


   

5-Hydroxy-3-methyl-2-(hydroxymethyl)-7-methoxychromone

5-Hydroxy-3-methyl-2-(hydroxymethyl)-7-methoxychromone

C12H12O5 (236.06847019999998)


   

6-formyl-5,7-dimethoxy-4-methylphthalide

6-formyl-5,7-dimethoxy-4-methylphthalide

C12H12O5 (236.06847019999998)


   

4,5-Methylene ether,2,4-dinitrophenylhydrazone-1-(2,4,5-Trihydroxyphenyl)-1-propanone,

4,5-Methylene ether,2,4-dinitrophenylhydrazone-1-(2,4,5-Trihydroxyphenyl)-1-propanone,

C12H12O5 (236.06847019999998)


   
   

6-hydroxy-4-hydroxymethyl-8-methoxy-3-methylisocoumarin

6-hydroxy-4-hydroxymethyl-8-methoxy-3-methylisocoumarin

C12H12O5 (236.06847019999998)


   

DECARBOXYHYDROXYCITRINONE

DECARBOXYHYDROXYCITRINONE

C12H12O5 (236.06847019999998)


A natural product found in Arthrinium sacchari.

   
   

5-carboxyl-2-[2-(1,2-dihydroxyisopropyl)]benzofuran

5-carboxyl-2-[2-(1,2-dihydroxyisopropyl)]benzofuran

C12H12O5 (236.06847019999998)


   

7-Acetoxy-6-methoxy-chroman-2-on|7-acetoxy-6-methoxy-chroman-2-one

7-Acetoxy-6-methoxy-chroman-2-on|7-acetoxy-6-methoxy-chroman-2-one

C12H12O5 (236.06847019999998)


   

(+)-(S)-2-(3-hydroxy-4-methoxy-2-oxoindolin-3-yl)acetamide

(+)-(S)-2-(3-hydroxy-4-methoxy-2-oxoindolin-3-yl)acetamide

C11H12N2O4 (236.07970319999998)


   
   
   

8S-(2)-8-(4-hydroxy-3-methoxybenzoyl)dihydrofuran-8(8H)-one

8S-(2)-8-(4-hydroxy-3-methoxybenzoyl)dihydrofuran-8(8H)-one

C12H12O5 (236.06847019999998)


   
   

(E)-methyl 3-methoxy-2-[3,4-(methylenedioxy)phenyl]propenoate

(E)-methyl 3-methoxy-2-[3,4-(methylenedioxy)phenyl]propenoate

C12H12O5 (236.06847019999998)


   

Tri-Me ether-5,7,8-Trihydroxy-2H-1-benzopyran-2-one

Tri-Me ether-5,7,8-Trihydroxy-2H-1-benzopyran-2-one

C12H12O5 (236.06847019999998)


   

3-(3,4-Dihydroxy-3-methyl-1-butynyl)-4-hydroxybenzoic acid|4-hydroxy-3-(3,4-dihydroxy-3-methylbut-1-ynyl)benzoic acid

3-(3,4-Dihydroxy-3-methyl-1-butynyl)-4-hydroxybenzoic acid|4-hydroxy-3-(3,4-dihydroxy-3-methylbut-1-ynyl)benzoic acid

C12H12O5 (236.06847019999998)


   
   

2-(hydroxymethyl)-6-methylmethyleugenin|5-hydroxy-2-(hydroxymethyl)-7-methoxy-6-methyl-4H-1-benzopyran-4-one

2-(hydroxymethyl)-6-methylmethyleugenin|5-hydroxy-2-(hydroxymethyl)-7-methoxy-6-methyl-4H-1-benzopyran-4-one

C12H12O5 (236.06847019999998)


   

3(R)-methyl-6-methoxy-7,8-methylenedioxydihydroisocoumarin|dihydroinversin

3(R)-methyl-6-methoxy-7,8-methylenedioxydihydroisocoumarin|dihydroinversin

C12H12O5 (236.06847019999998)


   
   

4,5-dimethoxy-2,3-methylenedioxycinnamaldehyde

4,5-dimethoxy-2,3-methylenedioxycinnamaldehyde

C12H12O5 (236.06847019999998)


   
   

6-Me ether,4-Ac-4,6-Dihydroxy-5-methyl-1(3H)-isobenzofuranone

6-Me ether,4-Ac-4,6-Dihydroxy-5-methyl-1(3H)-isobenzofuranone

C12H12O5 (236.06847019999998)


   
   

Acetic acid 2-acetoxy-5-acetyl-phenyl ester

Acetic acid 2-acetoxy-5-acetyl-phenyl ester

C12H12O5 (236.06847019999998)


   
   

3-Hydroxymethyl-6,8-dimethoxycoumarin

3-Hydroxymethyl-6,8-dimethoxycoumarin

C12H12O5 (236.06847019999998)


   

3-methoxy-4,5-methylenedioxycinnamic acid methyl ester|methyl (2E)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enoate

3-methoxy-4,5-methylenedioxycinnamic acid methyl ester|methyl (2E)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enoate

C12H12O5 (236.06847019999998)


   
   
   

5-Hydroxy-7,8-dimethoxy-2-methylchromon

5-Hydroxy-7,8-dimethoxy-2-methylchromon

C12H12O5 (236.06847019999998)


   

2,5-Dihydroxyacetophenone, diacetate

2,5-Dihydroxyacetophenone, diacetate

C12H12O5 (236.06847019999998)


   
   

harmalol

1-Methyl-2,3,4,9-tetrahydro-7H-pyrido[3,4-b]indol-7-one--hydrogen chloride (1/1)

C12H13ClN2O (236.0716358)


Harmalol hydrochloride, a beta carboline alkaloid, presents in several medicinal plants such as Peganum harmala. Harmalol hydrochloride, main metabolite of Harmaline, significantly inhibits the dioxin-mediated induction of CYP1A1 at the transcriptional and posttranslational levels. Harmalol hydrochloride possesses antioxidant and hydroxyl radical-scavenging properties[1]. Harmalol hydrochloride, a beta carboline alkaloid, presents in several medicinal plants such as Peganum harmala. Harmalol hydrochloride, main metabolite of Harmaline, significantly inhibits the dioxin-mediated induction of CYP1A1 at the transcriptional and posttranslational levels. Harmalol hydrochloride possesses antioxidant and hydroxyl radical-scavenging properties[1].

   

MSFXSDYNQKVMTJ-UHFFFAOYSA-N

2H-1-Benzopyran-2-one, 5,7,8-trimethoxy-

C12H12O5 (236.06847019999998)


5,7,8-Trimethoxycoumarin is a natural product found in Zanthoxylum beecheyanum, Zanthoxylum ailanthoides, and other organisms with data available.

   

6,7,8-trimethoxychromen-2-one

NCGC00095436-04!6,7,8-trimethoxychromen-2-one

C12H12O5 (236.06847019999998)


   

5,6,7-trimethoxychromen-2-one

NCGC00386036-01!5,6,7-trimethoxychromen-2-one

C12H12O5 (236.06847019999998)


   

3-(1-hydroxy-2-oxobutylidene)-6-[(E)-prop-1-enyl]pyran-2,4-dione

NCGC00380443-01!3-(1-hydroxy-2-oxobutylidene)-6-[(E)-prop-1-enyl]pyran-2,4-dione

C12H12O5 (236.06847019999998)


   

(7R,8S)-7,8-dihydroxy-3,7-dimethyl-6-oxo-8H-isochromene-5-carbaldehyde

NCGC00380595-01!(7R,8S)-7,8-dihydroxy-3,7-dimethyl-6-oxo-8H-isochromene-5-carbaldehyde

C12H12O5 (236.06847019999998)


   
   

(7R,8S)-7,8-dihydroxy-3,7-dimethyl-6-oxo-8H-isochromene-5-carbaldehyde [IIN-based: Match]

NCGC00380595-01!(7R,8S)-7,8-dihydroxy-3,7-dimethyl-6-oxo-8H-isochromene-5-carbaldehyde [IIN-based: Match]

C12H12O5 (236.06847019999998)


   

6,7,8-trimethoxychromen-2-one [IIN-based: Match]

NCGC00095436-04!6,7,8-trimethoxychromen-2-one [IIN-based: Match]

C12H12O5 (236.06847019999998)


   

6,7,8-trimethoxychromen-2-one [IIN-based on: CCMSLIB00000845945]

NCGC00095436-04!6,7,8-trimethoxychromen-2-one [IIN-based on: CCMSLIB00000845945]

C12H12O5 (236.06847019999998)


   
   

1-{4-hydroxy-2-oxo-6-[(1E)-prop-1-en-1-yl]-2H-pyran-3-yl}butane-1,2-dione_major

1-{4-hydroxy-2-oxo-6-[(1E)-prop-1-en-1-yl]-2H-pyran-3-yl}butane-1,2-dione_major

C12H12O5 (236.06847019999998)


   
   
   

Thiacetazone

Thioacetazone

C10H12N4OS (236.07317819999997)


J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent

   
   

Dillapional

(2Z)-3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)prop-2-enal

C12H12O5 (236.06847019999998)


   

Austdiol

7,8-Dihydro-7,8-dihydroxy-3,7-dimethyl-6-oxo-6H-2-benzopyran-5-carboxaldehyde, 9ci

C12H12O5 (236.06847019999998)


   

Apional

(2E)-3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)prop-2-enal

C12H12O5 (236.06847019999998)


   

(S)-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid

2-(7-hydroxy-2-methyl-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl)acetic acid

C12H12O5 (236.06847019999998)


   

(E)-1-(4-hydroxy-2-oxo-6-(prop-1-en-1-yl)-2H-pyran-3-yl)butane-1,2-dione

(E)-1-(4-hydroxy-2-oxo-6-(prop-1-en-1-yl)-2H-pyran-3-yl)butane-1,2-dione

C12H12O5 (236.06847019999998)


   

4-hydroxy benzylidene malonic acid dimethyl ester

4-hydroxy benzylidene malonic acid dimethyl ester

C12H12O5 (236.06847019999998)


   

1,3-diisocyanato-2-methylbenzene,ethane-1,2-diol

1,3-diisocyanato-2-methylbenzene,ethane-1,2-diol

C11H12N2O4 (236.07970319999998)


   
   

2,5-Diphenylthiophene

2,5-Diphenylthiophene

C16H12S (236.0659672)


   

4-phenoxyphenylhydrazine hydrochloride

4-phenoxyphenylhydrazine hydrochloride

C12H13ClN2O (236.0716358)


   
   

2-CHLORO-4-(PIPERIDIN-4-YLOXY)BENZONITRILE

2-CHLORO-4-(PIPERIDIN-4-YLOXY)BENZONITRILE

C12H13ClN2O (236.0716358)


   

2-MESITYLENESULFONIC ACID DIHYDRATE

2-MESITYLENESULFONIC ACID DIHYDRATE

C9H16O5S (236.0718406)


   
   
   

prop-2-enyl 2-diethoxyphosphorylacetate

prop-2-enyl 2-diethoxyphosphorylacetate

C9H17O5P (236.0813562)


   

1-BENZYL-4-TRIFLUOROMETHYLBENZENE

1-BENZYL-4-TRIFLUOROMETHYLBENZENE

C14H11F3 (236.08128019999998)


   

4-Acetoxy-3-methoxycinnamic acid

2-Propenoicacid, 3-[4-(acetyloxy)-3-methoxyphenyl]-

C12H12O5 (236.06847019999998)


   

4-[3,4-(ethylenedioxy)phenyl]-4-oxobutyric acid

4-[3,4-(ethylenedioxy)phenyl]-4-oxobutyric acid

C12H12O5 (236.06847019999998)


   

2-(2-Methoxyphenyl)-5-oxotetrahydrofuran-3-carboxylic acid

2-(2-Methoxyphenyl)-5-oxotetrahydrofuran-3-carboxylic acid

C12H12O5 (236.06847019999998)


   

(2-PHENOXY-PHENYL)-HYDRAZINE HYDROCHLORIDE

(2-PHENOXY-PHENYL)-HYDRAZINE HYDROCHLORIDE

C12H13ClN2O (236.0716358)


   
   

3-NITRO-2-PYRROLIDIN-1-YL-BENZOIC ACID

3-NITRO-2-PYRROLIDIN-1-YL-BENZOIC ACID

C11H12N2O4 (236.07970319999998)


   

2-(2,4-difluorobenzoyl)-3-(dimethylamino)acrylonitrile

2-(2,4-difluorobenzoyl)-3-(dimethylamino)acrylonitrile

C12H10F2N2O (236.0761154)


   

Methyl 4-(cyclopropylamino)-3-nitrobenzoate

Methyl 4-(cyclopropylamino)-3-nitrobenzoate

C11H12N2O4 (236.07970319999998)


   

(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid ethyl ester

(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid ethyl ester

C9H11F3N2O2 (236.0772582)


   

1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol

1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanol

C10H11F3O3 (236.06602519999998)


   
   
   

glycine beta-naphthylamide hydrochloride

glycine beta-naphthylamide hydrochloride

C12H13ClN2O (236.0716358)


   
   

4-(4-morpholino)-3-nitrobenzaldehyde

4-(4-morpholino)-3-nitrobenzaldehyde

C11H12N2O4 (236.07970319999998)


   

2-(4-chlorophenyl)-2-morpholinoacetonitrile

2-(4-chlorophenyl)-2-morpholinoacetonitrile

C12H13ClN2O (236.0716358)


   

2-(4-methoxybenzylidene)succinic acid

2-(4-methoxybenzylidene)succinic acid

C12H12O5 (236.06847019999998)


   

4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-amine

4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-amine

C12H13FN2S (236.078343)


   

5-NITRO-2-(1-PYRROLIDINYL)BENZENECARBOXYLIC ACID

5-NITRO-2-(1-PYRROLIDINYL)BENZENECARBOXYLIC ACID

C11H12N2O4 (236.07970319999998)


   

1,4-Benzodioxin-2-carboxylic acid,2,3-dihydro-6-(2-oxopropyl)-

1,4-Benzodioxin-2-carboxylic acid,2,3-dihydro-6-(2-oxopropyl)-

C12H12O5 (236.06847019999998)


   

1-(3-NITROPHENYL)-1H-1,2,4-TRIAZOLE

1-(3-NITROPHENYL)-1H-1,2,4-TRIAZOLE

C11H12N2O4 (236.07970319999998)


   

diethyl (3-chloropropyl)malonate

diethyl (3-chloropropyl)malonate

C10H17ClO4 (236.0815312)


   

3,6-di-4-pyridyl-1,2,4,5-tetrazine

3,6-di-4-pyridyl-1,2,4,5-tetrazine

C12H8N6 (236.08104079999998)


   
   

tert-butyl (5S)-6-chloro-5-hydroxy-3-oxohexanoate

tert-butyl (5S)-6-chloro-5-hydroxy-3-oxohexanoate

C10H17ClO4 (236.0815312)


   

1-methyl-4-[4-(trifluoromethyl)phenyl]benzene

1-methyl-4-[4-(trifluoromethyl)phenyl]benzene

C14H11F3 (236.08128019999998)


   

(3,4-DIMETHOXY-2-(TRIFLUOROMETHYL)PHENYL)METHANOL

(3,4-DIMETHOXY-2-(TRIFLUOROMETHYL)PHENYL)METHANOL

C10H11F3O3 (236.06602519999998)


   

5,5-dimethyl-2-(2,2,2-trifluoroacetyl)cyclohexane-1,3-dione

5,5-dimethyl-2-(2,2,2-trifluoroacetyl)cyclohexane-1,3-dione

C10H11F3O3 (236.06602519999998)


   

Eflornithine hydrochloride

Eflornithine (hydrochloride, hydrate)

C6H15ClF2N2O3 (236.0739214)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D004791 - Enzyme Inhibitors > D065108 - Ornithine Decarboxylase Inhibitors C471 - Enzyme Inhibitor > C2088 - Ornithine Decarboxylase Inhibitor D000970 - Antineoplastic Agents

   

methyl 5,6-dimethoxy-1h-indazole-3-carboxylate

methyl 5,6-dimethoxy-1h-indazole-3-carboxylate

C11H12N2O4 (236.07970319999998)


   

5-CHLORO-7-DIMETHYLAMINOMETHYL-QUINOLIN-8-OL

5-CHLORO-7-DIMETHYLAMINOMETHYL-QUINOLIN-8-OL

C12H13ClN2O (236.0716358)


   

10-Bromodecanol

10-Bromo-1-decanol

C10H21BrO (236.0775676)


   

2-Amino-3,5-dicyano-6-hydroxy-4-phenylpyridine

2-Amino-3,5-dicyano-6-hydroxy-4-phenylpyridine

C13H8N4O (236.06980779999998)


   

1-(2-METHOXYETHYL)-7-METHYL-1H-PYRIDO[2,3-D][1,3]OXAZINE-2,4-DIONE

1-(2-METHOXYETHYL)-7-METHYL-1H-PYRIDO[2,3-D][1,3]OXAZINE-2,4-DIONE

C11H12N2O4 (236.07970319999998)


   

2-METHYL-4-(TRIFLUOROMETHYL)-1,1-BIPHENYL

2-METHYL-4-(TRIFLUOROMETHYL)-1,1-BIPHENYL

C14H11F3 (236.08128019999998)


   

N,N-Dimethyl-3,3-dithiodipropionamide

N,N-Dimethyl-3,3-dithiodipropionamide

C8H16N2O2S2 (236.06531560000002)


   
   
   

3,6-di-2-pyridyl-1,2,4,5-tetrazine

3,6-di-2-pyridyl-1,2,4,5-tetrazine

C12H8N6 (236.08104079999998)


   

2,3-DIHYDRO-5,6-DIMETHOXY-3-OXO-1H-INDENE-1-CARBOXYLIC ACID

2,3-DIHYDRO-5,6-DIMETHOXY-3-OXO-1H-INDENE-1-CARBOXYLIC ACID

C12H12O5 (236.06847019999998)


   

Methyl 4-(4-methoxyphenyl)-2,4-dioxobutanoate

Methyl 4-(4-methoxyphenyl)-2,4-dioxobutanoate

C12H12O5 (236.06847019999998)


   

2,5-Cyclohexadien-1-one,4-[(4-hydroxy-2-methylphenyl)imino]-, sodium salt (1:1)

2,5-Cyclohexadien-1-one,4-[(4-hydroxy-2-methylphenyl)imino]-, sodium salt (1:1)

C13H11NNaO2+ (236.0687446)


   

4-CHLORO-1-(TETRAHYDRO-2H-PYRAN-2-YL)-1H-INDAZOLE

4-CHLORO-1-(TETRAHYDRO-2H-PYRAN-2-YL)-1H-INDAZOLE

C12H13ClN2O (236.0716358)


   

5-[3,4-(METHYLENEDIOXY)PHENYL]-5-OXOVALERIC ACID

5-[3,4-(METHYLENEDIOXY)PHENYL]-5-OXOVALERIC ACID

C12H12O5 (236.06847019999998)


   

3-Amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbohydrazide

3-Amino-4,6-dimethylthieno[2,3-b]pyridine-2-carbohydrazide

C10H12N4OS (236.07317819999997)


   

4-(2-prop-2-enoyloxyethoxy)benzoic acid

4-(2-prop-2-enoyloxyethoxy)benzoic acid

C12H12O5 (236.06847019999998)


   

1,2-cyclohexanedione, mono[(4-chlorophenyl)hydrazone]

1,2-cyclohexanedione, mono[(4-chlorophenyl)hydrazone]

C12H13ClN2O (236.0716358)


   

dimethyl 2-(phenylhydrazinylidene)propanedioate

dimethyl 2-(phenylhydrazinylidene)propanedioate

C11H12N2O4 (236.07970319999998)


   

3-(CHLOROACETAMIDOETHYL)INDOLE

3-(CHLOROACETAMIDOETHYL)INDOLE

C12H13ClN2O (236.0716358)


   

3-(1,3-Benzodioxol-5-yl)-2-methyl-2-oxiranecarboxylic acid methyl ester

3-(1,3-Benzodioxol-5-yl)-2-methyl-2-oxiranecarboxylic acid methyl ester

C12H12O5 (236.06847019999998)


   

3,4-DIPHENYL-THIOPHENE

3,4-DIPHENYL-THIOPHENE

C16H12S (236.0659672)


   

[3-(3-Methoxy-4-nitro-1H-pyrazol-1-yl)propyl]amine hydrochloride

[3-(3-Methoxy-4-nitro-1H-pyrazol-1-yl)propyl]amine hydrochloride

C7H13ClN4O3 (236.0676138)


   

10-CHLORO-2,3,6,7-TETRAHYDRO-1H-PYRAZINO[2,1-A]ISOQUINOLIN-4(11BH)-ONE

10-CHLORO-2,3,6,7-TETRAHYDRO-1H-PYRAZINO[2,1-A]ISOQUINOLIN-4(11BH)-ONE

C12H13ClN2O (236.0716358)


   

3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid ethyl ester

3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid ethyl ester

C12H12O5 (236.06847019999998)


   
   

Methyl 4-(3-methoxy-3-oxopropanoyl)benzoate

Methyl 4-(3-methoxy-3-oxopropanoyl)benzoate

C12H12O5 (236.06847019999998)


   
   
   

Methanone,4-morpholinyl(4-nitrophenyl)-

Methanone,4-morpholinyl(4-nitrophenyl)-

C11H12N2O4 (236.07970319999998)


   

(3-phenoxyphenyl)hydrazine,hydrochloride

(3-phenoxyphenyl)hydrazine,hydrochloride

C12H13ClN2O (236.0716358)


   
   

1-(5-chloro-1-isopropyl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethanone

1-(5-chloro-1-isopropyl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethanone

C12H13ClN2O (236.0716358)


   

1-(7-chloro-1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)ethanone

1-(7-chloro-1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)ethanone

C12H13ClN2O (236.0716358)


   

5-(azidomethyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one

5-(azidomethyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one

C10H9FN4O2 (236.07095059999997)


   

6,7,8-Trimethoxyquinazolin-4(3H)-one

6,7,8-Trimethoxyquinazolin-4(3H)-one

C11H12N2O4 (236.07970319999998)


   

2-(CYANO(4-FLUOROPHENYL)METHYL)BENZONITRILE

2-(CYANO(4-FLUOROPHENYL)METHYL)BENZONITRILE

C15H9FN2 (236.07497259999997)


   

2-Chloro-4-(3-piperidinyloxy)benzonitrile

2-Chloro-4-(3-piperidinyloxy)benzonitrile

C12H13ClN2O (236.0716358)


   

1-(4-NITRO-PHENYL)-AZETIDINE-3-CARBOXYLIC ACID METHYL ESTER

1-(4-NITRO-PHENYL)-AZETIDINE-3-CARBOXYLIC ACID METHYL ESTER

C11H12N2O4 (236.07970319999998)


   

2-(3-Amino-6-chloroquinolin-2-yl)propan-2-ol

2-(3-Amino-6-chloroquinolin-2-yl)propan-2-ol

C12H13ClN2O (236.0716358)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic

   
   
   

7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine

7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine

C12H8N6 (236.08104079999998)


   
   

3,4,7-trimethoxycoumarin

2H-1-Benzopyran-2-one, 3,4,7-trimethoxy-

C12H12O5 (236.06847019999998)


   

1-[4-hydroxy-2-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]butane-1,2-dione

1-[4-hydroxy-2-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]butane-1,2-dione

C12H12O5 (236.06847019999998)


   
   

55085-47-7

2H-1-Benzopyran-2-one, 5,6,7-trimethoxy-

C12H12O5 (236.06847019999998)


   

2-(dihydroxyamino)-3-(1H-indol-3-yl)propanoic acid

2-(dihydroxyamino)-3-(1H-indol-3-yl)propanoic acid

C11H12N2O4 (236.07970319999998)


   

(2S)-4-(2-Aminophenyl)-2-formamido-4-oxobutanoic acid

(2S)-4-(2-Aminophenyl)-2-formamido-4-oxobutanoic acid

C11H12N2O4 (236.07970319999998)


   

2-Azaniumyl-4-(2-formamidophenyl)-4-oxobutanoate

2-Azaniumyl-4-(2-formamidophenyl)-4-oxobutanoate

C11H12N2O4 (236.07970319999998)


   

N-Acetyl-D-glucosaminate

N-Acetyl-D-glucosaminate

C8H14NO7- (236.0770234)


   
   

(R)-3,4-Dihydro-4,6,8-trihydroxy-4,5-dimethyl-3-methyleneisochromen-1-one

(R)-3,4-Dihydro-4,6,8-trihydroxy-4,5-dimethyl-3-methyleneisochromen-1-one

C12H12O5 (236.06847019999998)


A natural product found in Leptosphaeria species.

   

(2R)-2-ammonio-4-(2-formamidophenyl)-4-oxobutanoate

(2R)-2-ammonio-4-(2-formamidophenyl)-4-oxobutanoate

C11H12N2O4 (236.07970319999998)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

(2Z)-2-[[(5-chloropyridin-2-yl)amino]methylidene]cyclohexan-1-one

(2Z)-2-[[(5-chloropyridin-2-yl)amino]methylidene]cyclohexan-1-one

C12H13ClN2O (236.0716358)


   

Glycidyl 2,2-dinitropropyl formal

Glycidyl 2,2-dinitropropyl formal

C7H12N2O7 (236.0644482)


   

N-acetyl-D-galactosaminate

N-acetyl-D-galactosaminate

C8H14NO7- (236.0770234)


   

3-[[(methylsulfonyl)oxy]ethyl]-5,5-dimethyldihydro-2(3H)-furanone

3-[[(methylsulfonyl)oxy]ethyl]-5,5-dimethyldihydro-2(3H)-furanone

C9H16O5S (236.0718406)


   

Fructosylglycinate

Fructosylglycinate

C8H14NO7- (236.0770234)


A glyco-amino-acid anion formed by loss of a proton from the carboxy group of fructosylglycine.

   

2-Mercapto-4,6-dimethylnicotinonitrile, TMS derivative

2-Mercapto-4,6-dimethylnicotinonitrile, TMS derivative

C11H16N2SSi (236.0803416)


   

Ethane, 1-vinylthio-2-[(trimethylsilyloxy)ethylthio]-

Ethane, 1-vinylthio-2-[(trimethylsilyloxy)ethylthio]-

C9H20OS2Si (236.072479)


   
   
   

3-(4-methylthio)butylmalic acid

3-(4-methylthio)butylmalic acid

C9H16O5S (236.0718406)


   

2-(4-methylthio)butylmalic acid

2-(4-methylthio)butylmalic acid

C9H16O5S (236.0718406)


   

N-formyl-L-kynurenine zwitterion

N-formyl-L-kynurenine zwitterion

C11H12N2O4 (236.07970319999998)


Zwitterionic form of N-formyl-L-kynurenine.

   

viridicatin(1-)

viridicatin(1-)

C15H10NO2 (236.07115000000002)


An organic anion that is the conjugate base of viridicatin resulting from the deprotonation of the 3-hydroxy group. Major microspecies at pH 7.3.

   

7,8-dihydroxy-3,7-dimethyl-6-oxo-7,8-dihydro-6H-isochromene-5-carbaldehyde

7,8-dihydroxy-3,7-dimethyl-6-oxo-7,8-dihydro-6H-isochromene-5-carbaldehyde

C12H12O5 (236.06847019999998)


   

N-formyl-D-kynurenine zwitterion

N-formyl-D-kynurenine zwitterion

C11H12N2O4 (236.07970319999998)


Zwitterionic form of N-formyl-D-kynurenine having an anionic carboxy group and a protonated amino group; major species at pH 7.3.

   

5-hydroxy-6,7-dimethoxy-2-methylchromone

5-hydroxy-6,7-dimethoxy-2-methylchromone

C12H12O5 (236.06847019999998)


A member of the class of chromones that is chromone substituted by a hydroxy group at position 5, a methyl group at position 2 and methoxy groups at positions 6 and 7 respectively. It has been isolated from Pisonia aculeata.

   

MFZ 10-7

MFZ 10-7

C15H9FN2 (236.07497259999997)


MFZ 10-7 is a highly potent and selective mGluR5 NAM (negative allosteric modulator), with a Ki of 0.67 nM for rat mGluR5[1]. MFZ 10-7 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

   

(2z,6e)-1-chloro-3-(chloromethyl)-8-methoxy-7-methylocta-2,6-diene

(2z,6e)-1-chloro-3-(chloromethyl)-8-methoxy-7-methylocta-2,6-diene

C11H18Cl2O (236.0734638)


   

3-(hydroxymethyl)-6,8-dimethoxyisochromen-1-one

3-(hydroxymethyl)-6,8-dimethoxyisochromen-1-one

C12H12O5 (236.06847019999998)


   

methyl 2-(7-hydroxy-2-methyl-3-oxo-1-benzofuran-2-yl)acetate

methyl 2-(7-hydroxy-2-methyl-3-oxo-1-benzofuran-2-yl)acetate

C12H12O5 (236.06847019999998)


   

(3s,6z)-8-chloro-6-(chloromethyl)-3-methoxy-2-methylocta-1,6-diene

(3s,6z)-8-chloro-6-(chloromethyl)-3-methoxy-2-methylocta-1,6-diene

C11H18Cl2O (236.0734638)


   

3-(6,7-dimethoxy-2h-1,3-benzodioxol-5-yl)prop-2-enal

3-(6,7-dimethoxy-2h-1,3-benzodioxol-5-yl)prop-2-enal

C12H12O5 (236.06847019999998)


   

(3r,5s)-3,5-bis(2-methylpropyl)-1,2,4-trithiolane

(3r,5s)-3,5-bis(2-methylpropyl)-1,2,4-trithiolane

C10H20S3 (236.07270800000003)


   

(2s,3r)-3-hydroxy-2-methyl-7-[(1e)-prop-1-en-1-yl]-2h,3h-pyrano[4,3-b]pyran-4,5-dione

(2s,3r)-3-hydroxy-2-methyl-7-[(1e)-prop-1-en-1-yl]-2h,3h-pyrano[4,3-b]pyran-4,5-dione

C12H12O5 (236.06847019999998)


   

methyl (2e)-2-(2h-1,3-benzodioxol-5-yl)-3-methoxyprop-2-enoate

methyl (2e)-2-(2h-1,3-benzodioxol-5-yl)-3-methoxyprop-2-enoate

C12H12O5 (236.06847019999998)


   

methyl (3r)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-carboxylate

methyl (3r)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-carboxylate

C12H12O5 (236.06847019999998)


   

(3ar,4r,5s,7ar)-4,5-dihydroxy-4-(3-methylbut-3-en-1-yn-1-yl)-5,7a-dihydro-3ah-1,3-benzodioxol-2-one

(3ar,4r,5s,7ar)-4,5-dihydroxy-4-(3-methylbut-3-en-1-yn-1-yl)-5,7a-dihydro-3ah-1,3-benzodioxol-2-one

C12H12O5 (236.06847019999998)


   

3-(hydroxymethyl)-6,8-dimethoxychromen-2-one

3-(hydroxymethyl)-6,8-dimethoxychromen-2-one

C12H12O5 (236.06847019999998)


   

methyl 8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-carboxylate

methyl 8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-carboxylate

C12H12O5 (236.06847019999998)


   

3-hydroxy-4-[(2r)-2-methyl-5-oxooxolan-2-yl]benzoic acid

3-hydroxy-4-[(2r)-2-methyl-5-oxooxolan-2-yl]benzoic acid

C12H12O5 (236.06847019999998)


   

(2e)-3-(6,7-dimethoxy-2h-1,3-benzodioxol-4-yl)prop-2-enal

(2e)-3-(6,7-dimethoxy-2h-1,3-benzodioxol-4-yl)prop-2-enal

C12H12O5 (236.06847019999998)


   

2-Methyl-5-carboxymethyl-7-hydroxychromanone

2-[(2S)-7-hydroxy-4-keto-2-methyl-chroman-5-yl]acetic acid; 2-[(2S)-7-hydroxy-2-methyl-4-oxo-chroman-5-yl]acetic acid; 2-[(2S)-7-hydroxy-2-methyl-4-oxo-chroman-5-yl]ethanoic acid; 2-methyl-5-carboxymethyl-7-hydroxychromanone; 2-[(2S)-7-hydroxy-2-methyl-4-oxochroman-5-yl]acetic acid; 2-[(2S)-7-hydroxy-2-methyl-4-oxo-5-chromanyl]acetic acid

C12H12O5 (236.06847019999998)


{"Ingredient_id": "HBIN005994","Ingredient_name": "2-Methyl-5-carboxymethyl-7-hydroxychromanone","Alias": "2-[(2S)-7-hydroxy-4-keto-2-methyl-chroman-5-yl]acetic acid; 2-[(2S)-7-hydroxy-2-methyl-4-oxo-chroman-5-yl]acetic acid; 2-[(2S)-7-hydroxy-2-methyl-4-oxo-chroman-5-yl]ethanoic acid; 2-methyl-5-carboxymethyl-7-hydroxychromanone; 2-[(2S)-7-hydroxy-2-methyl-4-oxochroman-5-yl]acetic acid; 2-[(2S)-7-hydroxy-2-methyl-4-oxo-5-chromanyl]acetic acid","Ingredient_formula": "C12H12O5","Ingredient_Smile": "CC1CC(=O)C2=C(O1)C=C(C=C2CC(=O)O)O","Ingredient_weight": "236.24","OB_score": "14.79619342","CAS_id": "NA","SymMap_id": "SMIT01034","TCMID_id": "25515","TCMSP_id": "MOL002234","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

2-methyl-5-carboxymethyl-7-hydroxy-chromanone

NA

C12H12O5 (236.06847019999998)


{"Ingredient_id": "HBIN005995","Ingredient_name": "2-methyl-5-carboxymethyl-7-hydroxy-chromanone","Alias": "NA","Ingredient_formula": "C12H12O5","Ingredient_Smile": "CC1CC(=O)C2=C(O1)C=C(C=C2CC(=O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14212","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

6,7,8-trimethoxy-2h-1-benzopyran-2-one

NA

C12H12O5 (236.06847019999998)


{"Ingredient_id": "HBIN012049","Ingredient_name": "6,7,8-trimethoxy-2h-1-benzopyran-2-one","Alias": "NA","Ingredient_formula": "C12H12O5","Ingredient_Smile": "CC1=CC2=CC(=C(C(=C2C(=O)O1)O)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21877","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(4s)-4,8-dihydroxy-6-methoxy-4-methyl-3-methylidene-2-benzopyran-1-one

(4s)-4,8-dihydroxy-6-methoxy-4-methyl-3-methylidene-2-benzopyran-1-one

C12H12O5 (236.06847019999998)


   

8-hydroxy-2,2-dimethyl-4-oxo-3h-1-benzopyran-6-carboxylic acid

8-hydroxy-2,2-dimethyl-4-oxo-3h-1-benzopyran-6-carboxylic acid

C12H12O5 (236.06847019999998)


   
   

(2r,3r)-3-hydroxy-2-methyl-7-[(1e)-prop-1-en-1-yl]-2h,3h-pyrano[4,3-b]pyran-4,5-dione

(2r,3r)-3-hydroxy-2-methyl-7-[(1e)-prop-1-en-1-yl]-2h,3h-pyrano[4,3-b]pyran-4,5-dione

C12H12O5 (236.06847019999998)


   

7-(2-hydroxyethoxy)-6-methoxychromen-2-one

7-(2-hydroxyethoxy)-6-methoxychromen-2-one

C12H12O5 (236.06847019999998)


   

3,5-dihydroxy-7-methoxy-2,6-dimethylchromen-4-one

3,5-dihydroxy-7-methoxy-2,6-dimethylchromen-4-one

C12H12O5 (236.06847019999998)


   

6,8-dihydroxy-3-[(2r)-2-hydroxypropyl]isochromen-1-one

6,8-dihydroxy-3-[(2r)-2-hydroxypropyl]isochromen-1-one

C12H12O5 (236.06847019999998)


   

3-hydroxy-4-(2-methyl-5-oxooxolan-2-yl)benzoic acid

3-hydroxy-4-(2-methyl-5-oxooxolan-2-yl)benzoic acid

C12H12O5 (236.06847019999998)


   

5-hydroxy-7,8-dimethoxy-2-methylchromen-4-one

5-hydroxy-7,8-dimethoxy-2-methylchromen-4-one

C12H12O5 (236.06847019999998)


   

(3as,4r,5s,7ar)-4,5-dihydroxy-6-(3-methylbut-3-en-1-yn-1-yl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one

(3as,4r,5s,7ar)-4,5-dihydroxy-6-(3-methylbut-3-en-1-yn-1-yl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one

C12H12O5 (236.06847019999998)


   

(2e,4e)-5-(4-methoxy-3-methyl-6-oxopyran-2-yl)penta-2,4-dienoic acid

(2e,4e)-5-(4-methoxy-3-methyl-6-oxopyran-2-yl)penta-2,4-dienoic acid

C12H12O5 (236.06847019999998)


   

2,5-dihydroxy-7-methoxy-3,6-dimethylchromen-4-one

2,5-dihydroxy-7-methoxy-3,6-dimethylchromen-4-one

C12H12O5 (236.06847019999998)


   

methyl (2e)-3-(7-methoxy-2h-1,3-benzodioxol-5-yl)prop-2-enoate

methyl (2e)-3-(7-methoxy-2h-1,3-benzodioxol-5-yl)prop-2-enoate

C12H12O5 (236.06847019999998)


   

methyl 2-[(2r)-7-hydroxy-2-methyl-3-oxo-1-benzofuran-2-yl]acetate

methyl 2-[(2r)-7-hydroxy-2-methyl-3-oxo-1-benzofuran-2-yl]acetate

C12H12O5 (236.06847019999998)


   

5-hydroxy-2-(hydroxymethyl)-7-methoxy-3-methylchromen-4-one

5-hydroxy-2-(hydroxymethyl)-7-methoxy-3-methylchromen-4-one

C12H12O5 (236.06847019999998)


   

8-hydroxy-6,7-dimethoxy-3-methylisochromen-1-one

8-hydroxy-6,7-dimethoxy-3-methylisochromen-1-one

C12H12O5 (236.06847019999998)


   

5-hydroxy-6-(hydroxymethyl)-7-methoxy-2-methylchromen-4-one

5-hydroxy-6-(hydroxymethyl)-7-methoxy-2-methylchromen-4-one

C12H12O5 (236.06847019999998)


   

7-methoxy-11-methyl-3,5,12-trioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-trien-13-one

7-methoxy-11-methyl-3,5,12-trioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-trien-13-one

C12H12O5 (236.06847019999998)


   

6,8-dihydroxy-3-(2-hydroxypropyl)isochromen-1-one

6,8-dihydroxy-3-(2-hydroxypropyl)isochromen-1-one

C12H12O5 (236.06847019999998)


   

(2s)-2-amino-4-{2-[(hydroxymethylidene)amino]phenyl}-4-oxobutanoic acid

(2s)-2-amino-4-{2-[(hydroxymethylidene)amino]phenyl}-4-oxobutanoic acid

C11H12N2O4 (236.07970319999998)


   

methyl 3-(7-methoxy-2h-1,3-benzodioxol-5-yl)prop-2-enoate

methyl 3-(7-methoxy-2h-1,3-benzodioxol-5-yl)prop-2-enoate

C12H12O5 (236.06847019999998)


   

5-hydroxy-2,7-dimethoxy-6-methylchromen-4-one

5-hydroxy-2,7-dimethoxy-6-methylchromen-4-one

C12H12O5 (236.06847019999998)


   

3-hydroxy-4-[(2s)-2-methyl-5-oxooxolan-2-yl]benzoic acid

3-hydroxy-4-[(2s)-2-methyl-5-oxooxolan-2-yl]benzoic acid

C12H12O5 (236.06847019999998)


   

5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one

5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one

C12H12O5 (236.06847019999998)


   

6,7-dihydroxy-3-[(2s)-2-hydroxypropyl]isochromen-1-one

6,7-dihydroxy-3-[(2s)-2-hydroxypropyl]isochromen-1-one

C12H12O5 (236.06847019999998)


   
   

8-chloro-6-(chloromethyl)-3-methoxy-2-methylocta-1,6-diene

8-chloro-6-(chloromethyl)-3-methoxy-2-methylocta-1,6-diene

C11H18Cl2O (236.0734638)


   

8-chloro-6-(chloromethyl)-1-methoxy-2-methylocta-2,6-diene

8-chloro-6-(chloromethyl)-1-methoxy-2-methylocta-2,6-diene

C11H18Cl2O (236.0734638)


   

1,5-dihydroxy-3-methoxy-8-oxo-6,7-dihydro-5h-naphthalene-2-carbaldehyde

1,5-dihydroxy-3-methoxy-8-oxo-6,7-dihydro-5h-naphthalene-2-carbaldehyde

C12H12O5 (236.06847019999998)


   

(2r)-2-hydroxy-2-[4-(methylsulfanyl)butyl]butanedioic acid

(2r)-2-hydroxy-2-[4-(methylsulfanyl)butyl]butanedioic acid

C9H16O5S (236.0718406)


   

methyl 2-(2h-1,3-benzodioxol-5-yl)-3-methoxyprop-2-enoate

methyl 2-(2h-1,3-benzodioxol-5-yl)-3-methoxyprop-2-enoate

C12H12O5 (236.06847019999998)


   

3-[(3s)-3,4-dihydroxy-3-methylbut-1-yn-1-yl]-4-hydroxybenzoic acid

3-[(3s)-3,4-dihydroxy-3-methylbut-1-yn-1-yl]-4-hydroxybenzoic acid

C12H12O5 (236.06847019999998)


   

3-(6,7-dimethoxy-2h-1,3-benzodioxol-4-yl)prop-2-enal

3-(6,7-dimethoxy-2h-1,3-benzodioxol-4-yl)prop-2-enal

C12H12O5 (236.06847019999998)


   

3-(3,4-dihydroxy-3-methylbut-1-yn-1-yl)-4-hydroxybenzoic acid

3-(3,4-dihydroxy-3-methylbut-1-yn-1-yl)-4-hydroxybenzoic acid

C12H12O5 (236.06847019999998)


   

5-hydroxy-2-(hydroxymethyl)-7-methoxy-6-methylchromen-4-one

5-hydroxy-2-(hydroxymethyl)-7-methoxy-6-methylchromen-4-one

C12H12O5 (236.06847019999998)


   

4,5-dihydroxy-6-(3-methylbut-3-en-1-yn-1-yl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one

4,5-dihydroxy-6-(3-methylbut-3-en-1-yn-1-yl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one

C12H12O5 (236.06847019999998)


   

5-(4-methoxy-3-methyl-6-oxopyran-2-yl)penta-2,4-dienoic acid

5-(4-methoxy-3-methyl-6-oxopyran-2-yl)penta-2,4-dienoic acid

C12H12O5 (236.06847019999998)


   

7-hydroxy-4,8-dimethoxy-5-methylchromen-2-one

7-hydroxy-4,8-dimethoxy-5-methylchromen-2-one

C12H12O5 (236.06847019999998)


   

2-ethyl-5-hydroxy-7-methoxy-1-benzofuran-6-carboxylic acid

2-ethyl-5-hydroxy-7-methoxy-1-benzofuran-6-carboxylic acid

C12H12O5 (236.06847019999998)


   

6-hydroxy-4-(hydroxymethyl)-7-methoxy-2-methylcyclohepta[b]furan-5-one

6-hydroxy-4-(hydroxymethyl)-7-methoxy-2-methylcyclohepta[b]furan-5-one

C12H12O5 (236.06847019999998)


   

8-hydroxy-3-(hydroxymethyl)-6-methoxy-4-methylisochromen-1-one

8-hydroxy-3-(hydroxymethyl)-6-methoxy-4-methylisochromen-1-one

C12H12O5 (236.06847019999998)


   
   

3,4-dihydroxy-5-(3-methylbut-2-enoyl)benzoic acid

3,4-dihydroxy-5-(3-methylbut-2-enoyl)benzoic acid

C12H12O5 (236.06847019999998)


   

3-hydroxy-2-methyl-7-(prop-1-en-1-yl)-2h,3h-pyrano[4,3-b]pyran-4,5-dione

3-hydroxy-2-methyl-7-(prop-1-en-1-yl)-2h,3h-pyrano[4,3-b]pyran-4,5-dione

C12H12O5 (236.06847019999998)


   

(7s,8r)-7,8-dihydroxy-3,7-dimethyl-6-oxo-8h-isochromene-5-carbaldehyde

(7s,8r)-7,8-dihydroxy-3,7-dimethyl-6-oxo-8h-isochromene-5-carbaldehyde

C12H12O5 (236.06847019999998)


   

4,7,8-trihydroxy-1h,3h,6h,7h,8h-naphtho[2,3-c]furan-5-one

4,7,8-trihydroxy-1h,3h,6h,7h,8h-naphtho[2,3-c]furan-5-one

C12H12O5 (236.06847019999998)


   

(4r)-4,6,8-trihydroxy-4,5-dimethyl-3-methylidene-2-benzopyran-1-one

(4r)-4,6,8-trihydroxy-4,5-dimethyl-3-methylidene-2-benzopyran-1-one

C12H12O5 (236.06847019999998)


   

4,8-dihydroxy-6-methoxy-4-methyl-3-methylidene-2-benzopyran-1-one

4,8-dihydroxy-6-methoxy-4-methyl-3-methylidene-2-benzopyran-1-one

C12H12O5 (236.06847019999998)


   

(2e,4e)-2-ethyl-5-(4-methyl-2,5-dioxofuran-3-yl)penta-2,4-dienoic acid

(2e,4e)-2-ethyl-5-(4-methyl-2,5-dioxofuran-3-yl)penta-2,4-dienoic acid

C12H12O5 (236.06847019999998)


   

2-ethyl-5-(4-methyl-2,5-dioxofuran-3-yl)penta-2,4-dienoic acid

2-ethyl-5-(4-methyl-2,5-dioxofuran-3-yl)penta-2,4-dienoic acid

C12H12O5 (236.06847019999998)


   

(4e)-2-ethyl-5-(4-methyl-2,5-dioxofuran-3-yl)penta-2,4-dienoic acid

(4e)-2-ethyl-5-(4-methyl-2,5-dioxofuran-3-yl)penta-2,4-dienoic acid

C12H12O5 (236.06847019999998)


   

(7r,8s)-4,7,8-trihydroxy-1h,3h,6h,7h,8h-naphtho[2,3-c]furan-5-one

(7r,8s)-4,7,8-trihydroxy-1h,3h,6h,7h,8h-naphtho[2,3-c]furan-5-one

C12H12O5 (236.06847019999998)


   

3,5-bis(2-methylpropyl)-1,2,4-trithiolane

3,5-bis(2-methylpropyl)-1,2,4-trithiolane

C10H20S3 (236.07270800000003)


   

5-hydroxy-3-(hydroxymethyl)-7-methoxy-2-methylchromen-4-one

5-hydroxy-3-(hydroxymethyl)-7-methoxy-2-methylchromen-4-one

C12H12O5 (236.06847019999998)


   

2-[(1-{[hydroxy(methoxy)methylidene]amino}ethylidene)amino]benzoic acid

2-[(1-{[hydroxy(methoxy)methylidene]amino}ethylidene)amino]benzoic acid

C11H12N2O4 (236.07970319999998)


   

7-hydroxy-3,4-dimethoxy-5-methylchromen-2-one

7-hydroxy-3,4-dimethoxy-5-methylchromen-2-one

C12H12O5 (236.06847019999998)


   

(11r)-7-methoxy-11-methyl-3,5,12-trioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-trien-13-one

(11r)-7-methoxy-11-methyl-3,5,12-trioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-trien-13-one

C12H12O5 (236.06847019999998)


   

4,6,8-trihydroxy-4,5-dimethyl-3-methylidene-2-benzopyran-1-one

4,6,8-trihydroxy-4,5-dimethyl-3-methylidene-2-benzopyran-1-one

C12H12O5 (236.06847019999998)


   

7-hydroxy-6,8-dimethoxy-3-methylisochromen-1-one

7-hydroxy-6,8-dimethoxy-3-methylisochromen-1-one

C12H12O5 (236.06847019999998)


   

6-hydroxy-5,8-dimethoxy-3-methylisochromen-1-one

6-hydroxy-5,8-dimethoxy-3-methylisochromen-1-one

C12H12O5 (236.06847019999998)


   

(2s,3s)-3-hydroxy-2-methyl-7-[(1z)-prop-1-en-1-yl]-2h,3h-pyrano[4,3-b]pyran-4,5-dione

(2s,3s)-3-hydroxy-2-methyl-7-[(1z)-prop-1-en-1-yl]-2h,3h-pyrano[4,3-b]pyran-4,5-dione

C12H12O5 (236.06847019999998)


   

(2-hydroxy-2-methyl-4-oxo-3h-1-benzopyran-5-yl)acetic acid

(2-hydroxy-2-methyl-4-oxo-3h-1-benzopyran-5-yl)acetic acid

C12H12O5 (236.06847019999998)


   

5,7-dihydroxy-8-(2-hydroxyethyl)-2-methylchromen-4-one

5,7-dihydroxy-8-(2-hydroxyethyl)-2-methylchromen-4-one

C12H12O5 (236.06847019999998)


   

(2e)-3-(6,7-dimethoxy-2h-1,3-benzodioxol-5-yl)prop-2-enal

(2e)-3-(6,7-dimethoxy-2h-1,3-benzodioxol-5-yl)prop-2-enal

C12H12O5 (236.06847019999998)


   

4-hydroxy-2-methoxy-6-(2-oxopropyl)benzene-1,3-dicarbaldehyde

4-hydroxy-2-methoxy-6-(2-oxopropyl)benzene-1,3-dicarbaldehyde

C12H12O5 (236.06847019999998)


   

methyl (2z,4e)-5-(3,4-dihydroxyphenyl)-3-hydroxypenta-2,4-dienoate

methyl (2z,4e)-5-(3,4-dihydroxyphenyl)-3-hydroxypenta-2,4-dienoate

C12H12O5 (236.06847019999998)