Exact Mass: 398.0891456

Exact Mass Matches: 398.0891456

Found 369 metabolites which its exact mass value is equals to given mass value 398.0891456, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Sulfasalazine

2-hydroxy-5-[(E)-2-{4-[(pyridin-2-yl)sulfamoyl]phenyl}diazen-1-yl]benzoic acid

C18H14N4O5S (398.06848740000004)


Sulfasalazine is only found in individuals that have used or taken this drug. It is a drug that is used in the management of inflammatory bowel diseases. Its activity is generally considered to lie in its metabolic breakdown product, 5-aminosalicylic acid (see mesalamine) released in the colon. (From Martindale, The Extra Pharmacopoeia, 30th ed, p907)The mode of action of Sulfasalazine or its metabolites, 5-aminosalicylic acid (5-ASA) and sulfapyridine (SP), is still under investigation, but may be related to the anti-inflammatory and/or immunomodulatory properties that have been observed in animal and in vitro models, to its affinity for connective tissue, and/or to the relatively high concentration it reaches in serous fluids, the liver and intestinal walls, as demonstrated in autoradiographic studies in animals. In ulcerative colitis, clinical studies utilizing rectal administration of Sulfasalazine, SP and 5-ASA have indicated that the major therapeutic action may reside in the 5-ASA moiety. The relative contribution of the parent drug and the major metabolites in rheumatoid arthritis is unknown. A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07E - Intestinal antiinflammatory agents > A07EC - Aminosalicylic acid and similar agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D005765 - Gastrointestinal Agents D000890 - Anti-Infective Agents D018501 - Antirheumatic Agents

   

AdoMet

(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate

C15H22N6O5S (398.1372322)


[Spectral] S-Adenosyl-L-methionine (exact mass = 398.13724) and L-Histidine (exact mass = 155.06948) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AA - Amino acids and derivatives Acquisition and generation of the data is financially supported in part by CREST/JST. C26170 - Protective Agent > C275 - Antioxidant COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

S-adenosyl-4-methylthio-2-oxobutanoate

{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(3-carboxy-3-oxopropyl)methylsulphonium

C15H20N5O6S+ (398.11342400000007)


S-adenosyl-4-methylthio-2-oxobutanoic acid is a member of the class of compounds known as 5-deoxy-5-thionucleosides. 5-deoxy-5-thionucleosides are 5-deoxyribonucleosides in which the ribose is thio-substituted at the 5position by a S-alkyl group. S-adenosyl-4-methylthio-2-oxobutanoic acid is practically insoluble (in water) and a moderately acidic compound (based on its pKa). S-adenosyl-4-methylthio-2-oxobutanoic acid can be found in a number of food items such as hard wheat, chinese cabbage, cauliflower, and kai-lan, which makes S-adenosyl-4-methylthio-2-oxobutanoic acid a potential biomarker for the consumption of these food products. S-adenosyl-4-methylthio-2-oxobutanoic acid exists in E.coli (prokaryote) and yeast (eukaryote).

   

4-Dedimethyl-6-dehydro-anhydrotetracycline

4-Amino-anhydrotetracycline; 4-Amino-ATC; 4-Dedimethyl-6-dehydro-anhydrotetracycline; 4-Amino-4-de(dimethylamino)anhydrotetracycline

C20H18N2O7 (398.11139579999997)


   

Acroptilin

Chlorohyssopifolin C

C19H23ClO7 (398.1132238)


A sesquiterpene lactone that is isolated from Acroptilon repens and displays anti-allergic properties.

   

Anthricin

Furo[3,4:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, (5R,5aR,8aR)-

C22H22O7 (398.1365462)


D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D007155 - Immunologic Factors > D018796 - Immunoconjugates D007155 - Immunologic Factors > D007136 - Immunoglobulins D007155 - Immunologic Factors > D000906 - Antibodies D009676 - Noxae > D000922 - Immunotoxins Deoxypodophyllotoxin (DPT), a derivative of podophyllotoxin, is a lignan with potent antimitotic, anti-inflammatory and antiviral properties isolated from Anthriscus sylvestris. Deoxypodophyllotoxin, targets the microtubule, has a major impact in oncology not only as anti-mitotics but also as potent inhibitors of angiogenesis[1]. Deoxypodophyllotoxin induces cell autophagy and apoptosis[2]. Deoxypodophyllotoxin evokes increase of intracellular Ca2+ concentrations in DRG neurons[3]. Deoxypodophyllotoxin (DPT), a derivative of podophyllotoxin, is a lignan with potent antimitotic, anti-inflammatory and antiviral properties isolated from Anthriscus sylvestris. Deoxypodophyllotoxin, targets the microtubule, has a major impact in oncology not only as anti-mitotics but also as potent inhibitors of angiogenesis[1]. Deoxypodophyllotoxin induces cell autophagy and apoptosis[2]. Deoxypodophyllotoxin evokes increase of intracellular Ca2+ concentrations in DRG neurons[3].

   

Dihydro-NAME

Dihydro-nogalonic acid methyl ester

C21H18O8 (398.10016279999996)


   
   
   
   

Taraxacoside

4,5-Dihydroxy-2-(hydroxymethyl)-6-[(5-oxooxolan-3-yl)oxy]oxan-3-yl 2-(4-hydroxyphenyl)acetic acid

C18H22O10 (398.1212912)


Constituent of Taraxacum officinale (dandelion). Taraxacoside is found in many foods, some of which are coffee and coffee products, alcoholic beverages, tea, and dandelion. Taraxacoside is found in alcoholic beverages. Taraxacoside is a constituent of Taraxacum officinale (dandelion)

   

Dulxanthone E

5,9,10,12-tetramethoxy-2,2-dimethyl-2,6-dihydro-1,11-dioxatetracen-6-one

C22H22O7 (398.1365462)


Dulxanthone E is found in fruits. Dulxanthone E is a constituent of Garcinia dulcis (mundu). Constituent of Garcinia dulcis (mundu). Dulxanthone E is found in fruits.

   

5'-Methoxycurcumin

(1E,6E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione

C22H22O7 (398.1365462)


Constituent of Curcuma xanthorrhiza (Java turmeric). 5-Methoxycurcumin is found in herbs and spices, beverages, and root vegetables. 5-Methoxycurcumin is found in beverages. 5-Methoxycurcumin is a constituent of Curcuma xanthorrhiza (Java turmeric).

   

Picraquassioside A

3-(4-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)propanoic acid

C18H22O10 (398.1212912)


Picraquassioside A is found in herbs and spices. Picraquassioside A is a constituent of Ruta graveolens (rue). Constituent of Ruta graveolens (rue). Picraquassioside A is found in herbs and spices.

   

5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide

2,3,4,5-tetrahydroxy-6-{2-hydroxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}cyclohexane-1-carboxylic acid

C18H22O10 (398.1212912)


5-(3,4-dihydroxyphenyl)-gamma-valerolactone glucuronide is a cocoa metabolite from gut microflora. It is found in urine.

   

Methyl acrylate-divinylbenzene, completely hydrolyzed, copolymer

N-(4-Methoxybenzoyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulphanyl}ethanehydrazonic acid

C18H18N6O3S (398.1161038)


Methyl acrylate-dvb(2\\%), copolymer, aminolyzed with dmapa is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .

   

Zearalenone 4-sulfate

(16-Hydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-14-yl)oxidanesulphonic acid

C18H22O8S (398.1035332)


Zearalenone 4-sulfate is produced by Fusarium graminearum grown on rice. Estrogenic mycotoxin.

   

5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-3'-O-methyl-4'-O-glucuronide

(2R,3R,4R,6S)-3,4,6-trihydroxy-5-{2-methoxy-4-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid

C18H22O10 (398.1212912)


5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-3-O-methyl-4-O-glucuronide is a conjugate of 5-(3,4-dihydroxyphenyl)-gamma-valerolactone-3-O-methyl and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)

   

5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-methyl-3'-O-glucuronide

(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-{2-methoxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid

C18H22O10 (398.1212912)


5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-4-O-methyl-3-O-glucuronide is a conjugate of 5-(3,4-dihydroxyphenyl)-gamma-valerolactone-4-O-methyl and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)

   

5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone-O-glucuronide-O-methyl

Methyl (2S,3S,4S,5R)-3,4,5-trihydroxy-6-{3-hydroxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid

C18H22O10 (398.1212912)


5-(3,5-Dihydroxyphenyl)-gamma-valerolactone-O-glucuronide-O-methyl belongs to the family of Mixed Pentose/Hexose Disaccharides. These are disaccharides containing both an hexose and a pentose.

   

(-)-Deoxypodophyllotoxin

10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one

C22H22O7 (398.1365462)


D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D007155 - Immunologic Factors > D018796 - Immunoconjugates D007155 - Immunologic Factors > D007136 - Immunoglobulins D007155 - Immunologic Factors > D000906 - Antibodies D009676 - Noxae > D000922 - Immunotoxins

   

1,2-Bis(diphenylphosphino)ethane

[2-(diphenylphosphanyl)ethyl]diphenylphosphane

C26H24P2 (398.13531639999997)


   

7-Deoxydoxorubicinone

6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione

C21H18O8 (398.10016279999996)


   

Daunomycinone

8-acetyl-6,8,10,11-tetrahydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione

C21H18O8 (398.10016279999996)


   

Diflomotecan

20-ethyl-6,7-difluoro-20-hydroxy-17-oxa-3,13-diazapentacyclo[11.9.0.0^{2,11}.0^{4,9}.0^{15,21}]docosa-1(22),2(11),3,5,7,9,15(21)-heptaene-14,18-dione

C21H16F2N2O4 (398.107808)


   

Finafloxacin

Xtoro;7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

C20H19FN4O4 (398.1390266)


   

Kaltostat

3-[(6-carboxy-3,4-dihydroxy-5-methoxyoxan-2-yl)oxy]-4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid

C14H22O13 (398.1060362)


   

Darolutamide

N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-5-(1-hydroxyethyl)-1H-pyrazole-3-carboxamide

C19H19ClN6O2 (398.12579439999996)


   

Omarigliptin

2-(2,5-Difluorophenyl)-5-{2-methanesulphonyl-2H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl}oxan-3-amine

C17H20F2N4O3S (398.12241140000003)


   

(2S)-2-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylamino]-4-methylsulfanylbutanoic acid

(2S)-2-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylamino]-4-methylsulphanylbutanoic acid

C15H22N6O5S (398.1372322)


   

Estra-1,3,5(10)-triene-3,17-diol, 16-iodo-, (16alpha,17beta)-

13-iodo-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol

C18H23IO2 (398.07427279999996)


   

5-Sinapoylquinic acid

(1S,3R,4R,5R)-1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C18H22O10 (398.1212912)


5-sinapoylquinic acid belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 5-sinapoylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 5-sinapoylquinic acid can be found in a number of food items such as apple, european plum, sour cherry, and pear, which makes 5-sinapoylquinic acid a potential biomarker for the consumption of these food products.

   

4-Sinapoylquinic acid

(1S,3R,4S,5R)-1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C18H22O10 (398.1212912)


4-sinapoylquinic acid belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 4-sinapoylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 4-sinapoylquinic acid can be found in a number of food items such as apricot, peach (variety), sweet cherry, and pear, which makes 4-sinapoylquinic acid a potential biomarker for the consumption of these food products.

   

3-Sinapoylquinic acid

(1R,3R,4S,5R)-1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

C18H22O10 (398.1212912)


3-sinapoylquinic acid belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 3-sinapoylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 3-sinapoylquinic acid can be found in a number of food items such as sour cherry, sweet cherry, european plum, and peach (variety), which makes 3-sinapoylquinic acid a potential biomarker for the consumption of these food products. .

   

Triacetylnaringenin

2-[4-(Acetyloxy)phenyl]-4-oxo-3,4-dihydro-2H-1-benzopyran-5,7-diyl diacetate

C21H18O8 (398.10016279999996)


Naringenin triacetate is a flavonoid isolated from plant, exhibits a good binding affinity with multiple crystal structures of first bromodomain BRD4 (BRD4 BD1)[1].

   
   
   
   

Isochaihulactone

(-)-Isochaihulactone

C22H22O7 (398.1365462)


   
   
   
   
   

Gnaphaliin 7-epoxymethylbutyl ether

5-Hydroxy-3,8-dimethoxy-7- (2,3-epoxy-3-methylbutoxy) flavone

C22H22O7 (398.1365462)


   

Cnidioside B

MEGxp0_001375

C18H22O10 (398.1212912)


NCGC00384499-01_C18H22O10_5-Benzofuranpropanoic acid, 6-(beta-D-glucopyranosyloxy)-7-methoxy- is a natural product found in Picrasma quassioides, Ruta graveolens, and Ammi majus with data available.

   
   

3,5,6-Trimethoxy-3,4-methylene-dioxyfurano[2,3:7,8]flavanone

3,5,6-Trimethoxy-3,4-methylene-dioxyfurano [ 2",3":7,8 ] flavanone

C21H18O8 (398.10016279999996)


   

(R)-(+)-Ligulaodonin A

(R)-(+)-Ligulaodonin A

C22H22O7 (398.1365462)


   
   
   
   
   
   
   

Piscerynetin

5,7-Dihydroxy-4,5-dimethoxy-3-((1E)-3-hydroxy-3-methyl-1-butenyl)isoflavone

C22H22O7 (398.1365462)


   

Monomethyldihydromitorubrin

Monomethyldihydromitorubrin

C22H22O7 (398.1365462)


   
   

Lisetinone

5,7,5-Trihydroxy-4-methoxy-6,6-dimjethyl-4,5-dihydropyrano[2,3:3,2]coumaronochromone

C21H18O8 (398.10016279999996)


   

3,11-Diacetoxy-2-bromo-beta-chamigrene

3,11-Diacetoxy-2-bromo-beta-chamigrene

C19H27BrO4 (398.1092602)


   
   
   

6-Prenylherbacetin 3,8-dimethyl ether

5,7-Dihydroxy-2- (4-hydroxyphenyl) -3,8-dimethoxy-6- (3-methyl-2-butenyl) -4H-1-benzopyran-4-one

C22H22O7 (398.1365462)


   

6-Prenylquercetin 3-methyl ether

2- (3,4-Dihydroxyphenyl) -5,7-dihydroxy-3-methoxy-6- (3-methyl-2-butenyl) -4H-1-benzopyran-4-one

C22H22O7 (398.1365462)


   

Artoindonesianin Q

2-(2,5-Dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one

C22H22O7 (398.1365462)


   

Artoindonesianin R

5,7-Dihydroxy-2- (5-hydroxy-2,4-dimethoxyphenyl) -3- (3-methyl-2-butenyl) -4H-1-benzopyran-4-one

C22H22O7 (398.1365462)


   

5,7-Dihydroxy-3-methoxy-2-[3-methoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-4H-1-benzopyran-4-one

5,7-Dihydroxy-3-methoxy-2-[3-methoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-4H-1-benzopyran-4-one

C22H22O7 (398.1365462)


   

5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one

5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one

C22H22O7 (398.1365462)


   

5,7-Dihydroxy-3,6-dimethoxy-4-prenyloxyflavone

5,7-Dihydroxy-3,6-dimethoxy-4-prenyloxyflavone

C22H22O7 (398.1365462)


   

5,7-Dihydroxy-3,8-dimethoxy-4-prenyloxyflavone

5,7-Dihydroxy-3,8-dimethoxy-4-prenyloxyflavone

C22H22O7 (398.1365462)


   

5,4-Dihydroxy-3,3-dimethoxy-7-prenyloxyflavone

5,4-Dihydroxy-3,3-dimethoxy-7-prenyloxyflavone

C22H22O7 (398.1365462)


   

3-Angeloyloxy-4,6-dihydroxy-2,5-dimethoxychalcone

3-Angeloyloxy-4,6-dihydroxy-2,5-dimethoxychalcone

C22H22O7 (398.1365462)


   

viridiflorin

5,7,4-Trihydroxy-2,5-dimethoxy-6-prenylisoflavone

C22H22O7 (398.1365462)


   

2-Hydroxypiscerythrinetin

5,7,2-Trihydroxy-4,5-dimethoxy-3-prenylisoflavone

C22H22O7 (398.1365462)


   

Baohuosu

5,7,4-Trihydroxy-3,5-dimethoxy-8-prenylflavone

C22H22O7 (398.1365462)


   

Isorhynchospermin

3,5,3-Trihydroxy-7,4-dimethoxy-6-prenylflavone

C22H22O7 (398.1365462)


   

Rhynchospermin

3,5,3-Trihydroxy-7,4-dimethoxy-8-prenylflavone

C22H22O7 (398.1365462)


   

Propoxycarbazone

Propoxycarbazone

C15H18N4O7S (398.08961580000005)


CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; 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 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4006; ORIGINAL_PRECURSOR_SCAN_NO 4004 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3967; ORIGINAL_PRECURSOR_SCAN_NO 3962 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3991; ORIGINAL_PRECURSOR_SCAN_NO 3989 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3990; ORIGINAL_PRECURSOR_SCAN_NO 3989 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3993; ORIGINAL_PRECURSOR_SCAN_NO 3991 ORIGINAL_PRECURSOR_SCAN_NO 8067; CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8069 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8069; ORIGINAL_PRECURSOR_SCAN_NO 8067 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8106; ORIGINAL_PRECURSOR_SCAN_NO 8102 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8106; ORIGINAL_PRECURSOR_SCAN_NO 8104 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8149; ORIGINAL_PRECURSOR_SCAN_NO 8144 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8151; ORIGINAL_PRECURSOR_SCAN_NO 8149 CONFIDENCE standard compound; INTERNAL_ID 1390; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8164; ORIGINAL_PRECURSOR_SCAN_NO 8162 CONFIDENCE standard compound; INTERNAL_ID 2528 CONFIDENCE standard compound; INTERNAL_ID 8387 CONFIDENCE standard compound; INTERNAL_ID 4014

   
   
   
   

4-amino-3-(1-(4-fluorobenzyl)-1H-indazole-3-carboxamido)-2-methyl-4-oxobutanoicacid

4-amino-3-(1-(4-fluorobenzyl)-1H-indazole-3-carboxamido)-2-methyl-4-oxobutanoicacid

C20H19FN4O4 (398.1390266)


   
   
   

sulfasalazine

Sulfasalazine (Azulfidine)

C18H14N4O5S (398.06848740000004)


A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07E - Intestinal antiinflammatory agents > A07EC - Aminosalicylic acid and similar agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D005765 - Gastrointestinal Agents D000890 - Anti-Infective Agents D018501 - Antirheumatic Agents CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4230; ORIGINAL_PRECURSOR_SCAN_NO 4229 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4221; ORIGINAL_PRECURSOR_SCAN_NO 4220 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4107; ORIGINAL_PRECURSOR_SCAN_NO 4106 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4144; ORIGINAL_PRECURSOR_SCAN_NO 4143 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4237; ORIGINAL_PRECURSOR_SCAN_NO 4236 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4245; ORIGINAL_PRECURSOR_SCAN_NO 4244 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8819; ORIGINAL_PRECURSOR_SCAN_NO 8816 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8829; ORIGINAL_PRECURSOR_SCAN_NO 8824 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8833; ORIGINAL_PRECURSOR_SCAN_NO 8830 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8842; ORIGINAL_PRECURSOR_SCAN_NO 8838 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8867; ORIGINAL_PRECURSOR_SCAN_NO 8863 CONFIDENCE standard compound; INTERNAL_ID 1047; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8846; ORIGINAL_PRECURSOR_SCAN_NO 8844

   
   
   

angelafelone|Angelafolone

angelafelone|Angelafolone

C22H22O7 (398.1365462)


   
   

5-Demethoxy-beta-peltatin-A-methylaether|5-demethoxy-beta-peltatin-A-methylether|5-desmethoxy-beta-peltatin A methyl ether

5-Demethoxy-beta-peltatin-A-methylaether|5-demethoxy-beta-peltatin-A-methylether|5-desmethoxy-beta-peltatin A methyl ether

C22H22O7 (398.1365462)


   
   
   

11-bromochromomoric acid D-III methyl ester

11-bromochromomoric acid D-III methyl ester

C19H27BrO4 (398.1092602)


   
   

5,7-diacetoxy-8,4-dimethoxyflavone|Cirsitakaogenin-acetat|galangustin diacetate|galangustin-diacetate

5,7-diacetoxy-8,4-dimethoxyflavone|Cirsitakaogenin-acetat|galangustin diacetate|galangustin-diacetate

C21H18O8 (398.10016279999996)


   

Methoxy-benzolpentacarbonsaeurepentamethylester

Methoxy-benzolpentacarbonsaeurepentamethylester

C17H18O11 (398.0849078)


   

3-acetoxymethyl-5-((E)-2-formylethen-1-yl)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydrobenzofuran

3-acetoxymethyl-5-((E)-2-formylethen-1-yl)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydrobenzofuran

C22H22O7 (398.1365462)


   
   
   
   
   
   

8,9-dihydro-3,5,7-trihydroxy-1,8,8,9-tetramethyl-5-(2-oxopropyl)-4h-phenaleno[1,2-b]furan-4,6(5h)-dione

8,9-dihydro-3,5,7-trihydroxy-1,8,8,9-tetramethyl-5-(2-oxopropyl)-4h-phenaleno[1,2-b]furan-4,6(5h)-dione

C22H22O7 (398.1365462)


   

6-carboxyethyl-7-methoxy-5-hydroxybenzofuran 5-O-beta-D-glucopyranoside|Picraquassioside A

6-carboxyethyl-7-methoxy-5-hydroxybenzofuran 5-O-beta-D-glucopyranoside|Picraquassioside A

C18H22O10 (398.1212912)


   
   

5,7-dihydroxy-6-methyl-4-phenyl-8-(3-phenyl-trans-acryloyl)-1-benzopyran-2-one|interruptin B

5,7-dihydroxy-6-methyl-4-phenyl-8-(3-phenyl-trans-acryloyl)-1-benzopyran-2-one|interruptin B

C25H18O5 (398.1154178)


   
   

(1R,2S,3S,4R,5S,7R)-2,4-dihydroxy-7-hydroxymethyl-3-[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyloxy]-6,8-dioxabicyclo[3.2.1]octan-5-carboxylic acid|4-O-caffeoyl-2,7-anhydro-D-glycero-beta-D-galacto-oct-2-ulopyranosic acid

(1R,2S,3S,4R,5S,7R)-2,4-dihydroxy-7-hydroxymethyl-3-[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyloxy]-6,8-dioxabicyclo[3.2.1]octan-5-carboxylic acid|4-O-caffeoyl-2,7-anhydro-D-glycero-beta-D-galacto-oct-2-ulopyranosic acid

C17H18O11 (398.0849078)


   

6-O-methylzeylenol

6-O-methylzeylenol

C22H22O7 (398.1365462)


   

6,13-dihydro-dibenzo[b,i]phenazine-5,12-dicarboxylic acid dimethyl ester|Caulerpin

6,13-dihydro-dibenzo[b,i]phenazine-5,12-dicarboxylic acid dimethyl ester|Caulerpin

C24H18N2O4 (398.1266508)


   
   

Me ester,tri-Me ether-1,6,8-Trihydroxy-3-propylanthraquinone-2-carboxylic acid

Me ester,tri-Me ether-1,6,8-Trihydroxy-3-propylanthraquinone-2-carboxylic acid

C22H22O7 (398.1365462)


   

6-Acetoxy-5,7-dimethoxy-11,12-methylendioxycoumeston

6-Acetoxy-5,7-dimethoxy-11,12-methylendioxycoumeston

C20H14O9 (398.06377940000004)


   

13,14-Didehydro-Welwitindolinone B isothiocyanate

13,14-Didehydro-Welwitindolinone B isothiocyanate

C21H19ClN2O2S (398.08557040000005)


   
   

n-(2-[6-bromo-2-(1,1-dimethyl-2-propenyl)-1h-indol-3-yl]ethyl)-n-methylmethanesulfonamide

n-(2-[6-bromo-2-(1,1-dimethyl-2-propenyl)-1h-indol-3-yl]ethyl)-n-methylmethanesulfonamide

C17H23BrN2O2S (398.0663518)


   
   

6,8-dihydroxy-5-methoxy-3-methylisocoumarin 6-O-(4-O-methyl-beta-D-glucopyranoside)

6,8-dihydroxy-5-methoxy-3-methylisocoumarin 6-O-(4-O-methyl-beta-D-glucopyranoside)

C18H22O10 (398.1212912)


   
   
   
   

5,7,4-Trihydroxy-3,6-diMethoxy-3-prenylflavone

5,7,4-Trihydroxy-3,6-diMethoxy-3-prenylflavone

C22H22O7 (398.1365462)


   
   
   

3R-(+)-5-O-[6-O-acetyl]-alpha-D-glucopyranosyl-5-hydroxymellein

3R-(+)-5-O-[6-O-acetyl]-alpha-D-glucopyranosyl-5-hydroxymellein

C18H22O10 (398.1212912)


   
   

9-(benzo[d][1,3]dioxol-5-yl)-6,7,8-trimethoxy-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3h)-one

9-(benzo[d][1,3]dioxol-5-yl)-6,7,8-trimethoxy-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3h)-one

C22H22O7 (398.1365462)


   
   
   

(S)-3,5-dihydroxy-2,7-dimethoxy-2,2-dimethylpyrano[5,6:3,4]isoflavanone|sophoronol-7-methyl ether

(S)-3,5-dihydroxy-2,7-dimethoxy-2,2-dimethylpyrano[5,6:3,4]isoflavanone|sophoronol-7-methyl ether

C22H22O7 (398.1365462)


   

5-hydroxy-3,7-dimethoxy-4-(1-hydroxy-3-methylbut-3-en-2-yloxy)-flavone

5-hydroxy-3,7-dimethoxy-4-(1-hydroxy-3-methylbut-3-en-2-yloxy)-flavone

C22H22O7 (398.1365462)


   
   
   
   
   
   

7alpha-acetoxy-7,8alpha-dihydrogensnerofolin B

7alpha-acetoxy-7,8alpha-dihydrogensnerofolin B

C22H22O7 (398.1365462)


   
   

canthin-6-one 9-O-beta-glucopyranoside|Canthin-6-one 9-O-??-glucopyranoside

canthin-6-one 9-O-beta-glucopyranoside|Canthin-6-one 9-O-??-glucopyranoside

C20H18N2O7 (398.11139579999997)


   

Schisandrin C epoxide

9,12-Dimethoxy-21,22-dimethyl-5,7,14,16,23-pentaoxahexacyclo[18.2.1.02,10.04,8.011,19.013,17]tricosa-2,4(8),9,11,13(17),18-hexaene

C22H22O7 (398.1365462)


   

chlorjanerin|chlorojanerin

chlorjanerin|chlorojanerin

C19H23ClO7 (398.1132238)


   
   

OC1=C(C(=CC=2C(C3=CC(=CC(=C3C(C1=2)=O)OC)OC)=O)O)C1OC(CCC1)C

OC1=C(C(=CC=2C(C3=CC(=CC(=C3C(C1=2)=O)OC)OC)=O)O)C1OC(CCC1)C

C22H22O7 (398.1365462)


   

4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-6-methoxy-2-(4-methoxyphenyl)-

4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-6-methoxy-2-(4-methoxyphenyl)-

C21H18O8 (398.10016279999996)


   
   

18-bromo-9-hydroxy-12,13-trans-epoxy-(10E,15Z)-octadeca-10,15-diene

18-bromo-9-hydroxy-12,13-trans-epoxy-(10E,15Z)-octadeca-10,15-diene

C19H27BrO4 (398.1092602)


   
   

(+-)-3,4,7-Tri-O-acetylbutin|(+-)-3,4,7-Tri-O-acetyl-2,3-trans-butin|(+-)-Butintriacetat|3,4,7-Triacetoxyflavon|7-Acetoxy-2-(3,4-diacetoxy-phenyl)-chroman-4-on|7-acetoxy-2-(3,4-diacetoxy-phenyl)-chroman-4-one|Triacetyl-(+-)-butin

(+-)-3,4,7-Tri-O-acetylbutin|(+-)-3,4,7-Tri-O-acetyl-2,3-trans-butin|(+-)-Butintriacetat|3,4,7-Triacetoxyflavon|7-Acetoxy-2-(3,4-diacetoxy-phenyl)-chroman-4-on|7-acetoxy-2-(3,4-diacetoxy-phenyl)-chroman-4-one|Triacetyl-(+-)-butin

C21H18O8 (398.10016279999996)


   

2-O-Acetyl-4-O-(beta-D-galaktopyranosyluronsaeure)-D-galaktose

2-O-Acetyl-4-O-(beta-D-galaktopyranosyluronsaeure)-D-galaktose

C14H22O13 (398.1060362)


   

4,5-di-O-acetyl-7-O-methyltectorigenin|4.5-Diacetoxy-6.7-dimethoxy-isoflavon|5,4-Diacetoxy-6,7-dimethoxy-isoflavon|5,4-Diacetoxy-6,7-dimethoxyisoflavon|5-acetoxy-3-(4-acetoxy-phenyl)-6,7-dimethoxy-chromen-4-one|5.4-Diacetoxy-6.7-dimethoxy-isoflavon

4,5-di-O-acetyl-7-O-methyltectorigenin|4.5-Diacetoxy-6.7-dimethoxy-isoflavon|5,4-Diacetoxy-6,7-dimethoxy-isoflavon|5,4-Diacetoxy-6,7-dimethoxyisoflavon|5-acetoxy-3-(4-acetoxy-phenyl)-6,7-dimethoxy-chromen-4-one|5.4-Diacetoxy-6.7-dimethoxy-isoflavon

C21H18O8 (398.10016279999996)


   
   

mollicellin N

mollicellin N

C21H18O8 (398.10016279999996)


A member of the class of depsidones that is 3,4-dihydro-2H,11H-chromeno[6,7-b][1,4]benzodioxepine substituted by hydroxy groups at positions 8 and 13, methyl groups at positions 2, 2, 5 and 10, oxo groups at positions 4 and 11 and a formyl group at position 7. Isolated from Chaetomium brasiliense, it exhibits cytotoxic activity.

   

Lignan from Justicia heterocarpa

Lignan from Justicia heterocarpa

C21H18O8 (398.10016279999996)


   

(7S,8R,8R)-9-O-acetyldihydrosesamin|Dihydrosesamin acetate

(7S,8R,8R)-9-O-acetyldihydrosesamin|Dihydrosesamin acetate

C22H22O7 (398.1365462)


   
   
   

O-sinapoylglucarolactone

O-sinapoylglucarolactone

C17H18O11 (398.0849078)


   

Sinapoyl quinic acid

Sinapoyl quinic acid

C18H22O10 (398.1212912)


   

SchisantherinR

3,22-Dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-one

C22H22O7 (398.1365462)


   

Nemerosin

(3Z)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]oxolan-2-one

C22H22O7 (398.1365462)


   

AS 2-3

FURO(3,4:6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE, 5,8,8A,9-TETRAHYDRO-5-(3,4,5-TRIMETHOXYPHENYL)-, (5R-(5.ALPHA.,5A.BETA.,8A.ALPHA.))- PODOPHYLLOTOXIN, DEOXY-

C22H22O7 (398.1365462)


Deoxypodophyllotoxin is a member of the class of furonaphthodioxoles that is (5R,5aR,8aR)-5,8,8a,9-tetrahydro-2H-furo[3,4:6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one substituted at position 5 by a 3,4,5-trimethoxyphenyl group. It has a role as a plant metabolite, an antineoplastic agent and an apoptosis inducer. It is a lignan, a furonaphthodioxole, a gamma-lactone and a member of methoxybenzenes. Deoxypodophyllotoxin is a natural product found in Austrocedrus chilensis, Libocedrus bidwillii, and other organisms with data available. A member of the class of furonaphthodioxoles that is (5R,5aR,8aR)-5,8,8a,9-tetrahydro-2H-furo[3,4:6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one substituted at position 5 by a 3,4,5-trimethoxyphenyl group. D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D007155 - Immunologic Factors > D018796 - Immunoconjugates D007155 - Immunologic Factors > D007136 - Immunoglobulins D007155 - Immunologic Factors > D000906 - Antibodies D009676 - Noxae > D000922 - Immunotoxins Deoxypodophyllotoxin (DPT), a derivative of podophyllotoxin, is a lignan with potent antimitotic, anti-inflammatory and antiviral properties isolated from Anthriscus sylvestris. Deoxypodophyllotoxin, targets the microtubule, has a major impact in oncology not only as anti-mitotics but also as potent inhibitors of angiogenesis[1]. Deoxypodophyllotoxin induces cell autophagy and apoptosis[2]. Deoxypodophyllotoxin evokes increase of intracellular Ca2+ concentrations in DRG neurons[3]. Deoxypodophyllotoxin (DPT), a derivative of podophyllotoxin, is a lignan with potent antimitotic, anti-inflammatory and antiviral properties isolated from Anthriscus sylvestris. Deoxypodophyllotoxin, targets the microtubule, has a major impact in oncology not only as anti-mitotics but also as potent inhibitors of angiogenesis[1]. Deoxypodophyllotoxin induces cell autophagy and apoptosis[2]. Deoxypodophyllotoxin evokes increase of intracellular Ca2+ concentrations in DRG neurons[3].

   

isoanthricin

Furo[3,4:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one,5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)- (9CI)

C22H22O7 (398.1365462)


   

Ademetionine

S-(5′-Adenosyl)-L-methionine chloride

C15H22N6O5S (398.1372322)


A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AA - Amino acids and derivatives A sulfonium betaine that is a conjugate base of S-adenosyl-L-methionine obtained by the deprotonation of the carboxy group. C26170 - Protective Agent > C275 - Antioxidant COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Physiologic methyl radical donor involved in enzymatic transmethylation reactions and present in all living organisms. It possesses anti-inflammatory activity and has been used in treatment of chronic liver disease. (From Merck, 11th ed) [HMDB]

   

(5-benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate

NCGC00347754-02!(5-benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate

C22H22O7 (398.1365462)


   

[2-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

NCGC00381296-01![2-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

C22H22O7 (398.1365462)


   

C18H22O10_5-Benzofuranpropanoic acid, 4-(beta-D-glucopyranosyloxy)-6-methoxy

NCGC00168932-02_C18H22O10_5-Benzofuranpropanoic acid, 4-(beta-D-glucopyranosyloxy)-6-methoxy-

C18H22O10 (398.1212912)


   

C18H22O10_5-Benzofuranpropanoic acid, 6-(beta-D-glucopyranosyloxy)-7-methoxy

NCGC00384499-01_C18H22O10_5-Benzofuranpropanoic acid, 6-(beta-D-glucopyranosyloxy)-7-methoxy-

C18H22O10 (398.1212912)


   
   

(5-benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate

(5-benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate

C22H22O7 (398.1365462)


   

BROMO-3-HYDROXY-4-(SUCCIN-2-YL)-CARYOLANE gamma-LACTONE

BROMO-3-HYDROXY-4-(SUCCIN-2-YL)-CARYOLANE gamma-LACTONE

C19H27BrO4 (398.1092602)


   

(5-benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate [IIN-based on: CCMSLIB00000848473]

NCGC00347754-02!(5-benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate [IIN-based on: CCMSLIB00000848473]

C22H22O7 (398.1365462)


   

[2-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based on: CCMSLIB00000848893]

NCGC00381296-01![2-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based on: CCMSLIB00000848893]

C22H22O7 (398.1365462)


   

[2-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based on: CCMSLIB00000848892]

NCGC00381296-01![2-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based on: CCMSLIB00000848892]

C22H22O7 (398.1365462)


   

[2-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based: Match]

NCGC00381296-01![2-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based: Match]

C22H22O7 (398.1365462)


   

(5-benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate [IIN-based: Match]

NCGC00347754-02!(5-benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate [IIN-based: Match]

C22H22O7 (398.1365462)


   

(5-benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate_major

(5-benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate_major

C22H22O7 (398.1365462)


   

BROMO-3-HYDROXY-4-(SUCCIN-2-YL)-CARYOLANE gamma-LACTONE_major

BROMO-3-HYDROXY-4-(SUCCIN-2-YL)-CARYOLANE gamma-LACTONE_major

C19H27BrO4 (398.1092602)


   

S-Adenosylmethionine

S-Adenosyl-DL-methionine

C15H22N6O5S (398.1372322)


S-Adenosyl-DL-methionine is a derivative of Ademetionine (HY-B0617). Ademetionine is an intermediate metabolite of methionine[1].

   

Ala Cys Cys Cys

(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-aminopropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C12H22N4O5S3 (398.0752282)


   

Cys Ala Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]propanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C12H22N4O5S3 (398.0752282)


   

Cys Cys Ala Cys

(2R)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]propanamido]-3-sulfanylpropanoic acid

C12H22N4O5S3 (398.0752282)


   

Cys Cys Cys Ala

(2S)-2-[(2R)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]propanoic acid

C12H22N4O5S3 (398.0752282)


   

Cys Cys Ser Ser

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-hydroxypropanoic acid

C12H22N4O7S2 (398.0929862)


   

Cys Gly Gly Tyr

(2S)-2-(2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}acetamido)-3-(4-hydroxyphenyl)propanoic acid

C16H22N4O6S (398.1259992)


   

Cys Gly Tyr Gly

2-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]acetic acid

C16H22N4O6S (398.1259992)


   

Cys Ser Cys Ser

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C12H22N4O7S2 (398.0929862)


   

Cys Ser Ser Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C12H22N4O7S2 (398.0929862)


   

Cys Tyr Gly Gly

2-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}acetic acid

C16H22N4O6S (398.1259992)


   

Gly Cys Gly Tyr

(2S)-2-{2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]acetamido}-3-(4-hydroxyphenyl)propanoic acid

C16H22N4O6S (398.1259992)


   

Gly Cys Tyr Gly

2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]acetic acid

C16H22N4O6S (398.1259992)


   

Gly Gly Cys Tyr

(2S)-2-[(2R)-2-[2-(2-aminoacetamido)acetamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C16H22N4O6S (398.1259992)


   

Gly Gly Tyr Cys

(2R)-2-[(2S)-2-[2-(2-aminoacetamido)acetamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C16H22N4O6S (398.1259992)


   

Gly Tyr Cys Gly

2-[(2R)-2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]acetic acid

C16H22N4O6S (398.1259992)


   

Gly Tyr Gly Cys

(2R)-2-{2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]acetamido}-3-sulfanylpropanoic acid

C16H22N4O6S (398.1259992)


   
   
   
   
   
   

Ser Cys Cys Ser

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C12H22N4O7S2 (398.0929862)


   

Ser Cys Ser Cys

(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C12H22N4O7S2 (398.0929862)


   
   

Ser Ser Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C12H22N4O7S2 (398.0929862)


   

Tyr Cys Gly Gly

2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]acetamido}acetic acid

C16H22N4O6S (398.1259992)


   

Tyr Gly Cys Gly

2-[(2R)-2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}-3-sulfanylpropanamido]acetic acid

C16H22N4O6S (398.1259992)


   

Tyr Gly Gly Cys

(2R)-2-(2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-sulfanylpropanoic acid

C16H22N4O6S (398.1259992)


   

BROMO-3-HYDROXY-4- (SUCCIN-2-YL)-CARYOLANE γ-LACTONE

BROMO-3-HYDROXY-4- (SUCCIN-2-YL)-CARYOLANE γ-LACTONE

C19H27BrO4 (398.1092602)


   

D 4476

4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-pyridinyl)1H-imidazol-2-yl]-benzamide

C23H18N4O3 (398.13788379999994)


   

NU 7026

2-(4-morpholinyl)-4H-naphtho[1,2-b]pyran-4-one

C23H18N4O3 (398.13788379999994)


   
   

Daunomycinone

Daunorubicin aglycone

C21H18O8 (398.10016279999996)


   

5-(3,4-dihydroxyphenyl)-gamma-valerolactone glucuronide

2,3,4,5-tetrahydroxy-6-{2-hydroxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}cyclohexane-1-carboxylic acid

C18H22O10 (398.1212912)


   

Taraxacoside

4,5-dihydroxy-2-(hydroxymethyl)-6-[(5-oxooxolan-3-yl)oxy]oxan-3-yl 2-(4-hydroxyphenyl)acetate

C18H22O10 (398.1212912)


   

Methyl acrylate-divinylbenzene, completely hydrolyzed, copolymer

4-methoxy-N-(2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzohydrazide

C18H18N6O3S (398.1161038)


   

Zearalenone 4-sulfate

(16-hydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-14-yl)oxidanesulfonic acid

C18H22O8S (398.1035332)


   

Dulxanthone E

5,9,10,12-tetramethoxy-2,2-dimethyl-2,6-dihydro-1,11-dioxatetracen-6-one

C22H22O7 (398.1365462)


   

Picraquassioside A

3-(4-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)propanoic acid

C18H22O10 (398.1212912)


   

Methyl 18-bromo-9R-hydroxy-12,13-trans-epoxy-10E,15Z-octadecadien-17-ynoate

Methyl 18-bromo-9R-hydroxy-12,13-trans-epoxy-10E,15Z-octadecadien-17-ynoate

C19H27BrO4 (398.1092602)


   

Methyl 18-bromo-9R-hydroxy-12,13-trans-epoxy-10E,15Z-octadecadien-17-ynoate

Methyl 18-bromo-9R-hydroxy-12,13-trans-epoxy-10E,15Z-octadecadien-17-ynoate

C19H27O4Br (398.1092602)


   

Campylohirtin A

1,3-dimethoxy-8,9-dihydroxy-2-prenylcoumestan

C22H22O7 (398.1365462)


   

Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-(2-chlorophenyl)-N-cyclopentyl- (9CI)

Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-(2-chlorophenyl)-N-cyclopentyl- (9CI)

C21H23ClN4S (398.13318680000003)


   

methyl 1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carboxylate

methyl 1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridine-2-carboxylate

C17H13F3N2O4S (398.05480940000007)


   

N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropionamide

N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropionamide

C18H14F4N2O2S (398.0712072)


   
   

Pyrimido[4,5-g]quinazoline-4,9-dione,2,7-bis(chloromethyl)-3,8-dihydro-5,10-dimethoxy-3,8-dimethyl-

Pyrimido[4,5-g]quinazoline-4,9-dione,2,7-bis(chloromethyl)-3,8-dihydro-5,10-dimethoxy-3,8-dimethyl-

C16H16Cl2N4O4 (398.0548556)


   

acetonyl triphenylphosphonium bromide

acetonyl triphenylphosphonium bromide

C21H20BrOP (398.04350600000004)


   

[2,2,3,3,4,4,5,5-octafluoro-6-(2-methylprop-2-enoyloxy)hexyl] 2-methylprop-2-enoate

[2,2,3,3,4,4,5,5-octafluoro-6-(2-methylprop-2-enoyloxy)hexyl] 2-methylprop-2-enoate

C14H14F8O4 (398.07643)


   

(E)-1,4,5,6-tetrahydro-1-methyl-2-[2-(2-thienyl)vinyl]pyrimidine citrate (1:1)

(E)-1,4,5,6-tetrahydro-1-methyl-2-[2-(2-thienyl)vinyl]pyrimidine citrate (1:1)

C17H22N2O7S (398.1147662)


   

2-(4-BOC-PIPERAZINYL)-2-(3-BROMO-PHENYL)ACETIC ACID

2-(4-BOC-PIPERAZINYL)-2-(3-BROMO-PHENYL)ACETIC ACID

C17H23BrN2O4 (398.0841098)


   

clefamide

clefamide

C17H16Cl2N2O5 (398.0436226)


P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases > P01AC - Dichloroacetamide derivatives C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent

   
   

Finafloxacin

Finafloxacin

C20H19FN4O4 (398.1390266)


A quinolone that is 4-oxo-1,4-dihydroquinoline-3-carboxylic acid which is substituted at positions 1, 6, 7 and 8 by cyclopropyl, fluoro, hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl and cyano groups respectively; an antibiotic used for treatment of acute otitis externa (swimmers ear) caused by the bacteria Pseudomonas aeruginosa and Staphylococcus aureus. D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors

   

bis(isopropylcyclopentadienyl)tungsten dihydride

bis(isopropylcyclopentadienyl)tungsten dihydride

C16H22W (398.12309419999997)


   

Triphenyl-(4-sulfo-butyl)-phosphonium inner salt

Triphenyl-(4-sulfo-butyl)-phosphonium inner salt

C22H23O3PS (398.1105458)


   
   

Trimethylolpropane Tris(3-mercaptopropionate)

Trimethylolpropane Tris(3-mercaptopropionate)

C15H26O6S3 (398.0891456)


   

N1,N1-Bis(4-aminophenyl)benzene-1,4-diamine trihydrochloride

N1,N1-Bis(4-aminophenyl)benzene-1,4-diamine trihydrochloride

C18H21Cl3N4 (398.0831716)


   

2-METHOXY-4-(2-NITROVINYL)PHENYL-2-ACETAMIDO-2-DEOXY-BETA-GLUCOPYRANOSIDE

2-METHOXY-4-(2-NITROVINYL)PHENYL-2-ACETAMIDO-2-DEOXY-BETA-GLUCOPYRANOSIDE

C17H22N2O9 (398.13252420000003)


   

METHYL 6-(TRIFLUOROMETHYL)-1-TOSYL-1H-PYRROLO-[2,3-B]PYRIDINE-3-CARBOXYLATE

METHYL 6-(TRIFLUOROMETHYL)-1-TOSYL-1H-PYRROLO-[2,3-B]PYRIDINE-3-CARBOXYLATE

C17H13F3N2O4S (398.05480940000007)


   
   

Safinamide Mesylate

Safinamide Mesylate

C18H23FN2O5S (398.131164)


C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor

   
   

Omarigliptin

Omarigliptin

C17H20F2N4O3S (398.12241140000003)


C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98086 - Dipeptidyl Peptidase-4 Inhibitor C471 - Enzyme Inhibitor > C783 - Protease Inhibitor

   

2-(4-Boc-piperazinyl)-α-(4-bromo-phenyl)acetic acid

2-(4-Boc-piperazinyl)-α-(4-bromo-phenyl)acetic acid

C17H23BrN2O4 (398.0841098)


   

2-(4-Boc-piperazinyl)-α-(2-bromo-phenyl)acetic acid

2-(4-Boc-piperazinyl)-α-(2-bromo-phenyl)acetic acid

C17H23BrN2O4 (398.0841098)


   

PTH-(NEPSILON-PTC)-LYSINE

PTH-(NEPSILON-PTC)-LYSINE

C20H22N4OS2 (398.1234962)


   

(2-butyl)triphenylphosphonium bromide

(2-butyl)triphenylphosphonium bromide

C22H24BrP (398.0798894)


   

17-Iodoandrosta-5,16-dien-3beta-ol

17-Iodoandrosta-5,16-dien-3beta-ol

C19H27IO (398.1106562)


   

2,3,4,6-tetra-o-acetyl-1-azido-1-deoxy-alpha-d-galactopyranosyl cyanide

2,3,4,6-tetra-o-acetyl-1-azido-1-deoxy-alpha-d-galactopyranosyl cyanide

C15H18N4O9 (398.1073738)


   

Isobutyltriphenylphosphonium bromide

Isobutyltriphenylphosphonium bromide

C22H24BrP (398.0798894)


   

Methanone, (3,5-dimethyl-4-isoxazolyl)[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-

Methanone, (3,5-dimethyl-4-isoxazolyl)[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-

C17H17F3N4O4 (398.1201838)


   

(2S,3R)-3-AMINOBUTAN-2-OL

(2S,3R)-3-AMINOBUTAN-2-OL

C18H22O6S2 (398.0857752)


   

(Z)-4-(benzo[d][1,3]dioxol-5-ylmethyl)-3-(3,4,5-triMethoxybenzylidene)dihydrofuran-2(3H)-one

(Z)-4-(benzo[d][1,3]dioxol-5-ylmethyl)-3-(3,4,5-triMethoxybenzylidene)dihydrofuran-2(3H)-one

C22H22O7 (398.1365462)


   

Butyltriphenylphosphonium bromide

Butyltriphenylphosphonium bromide

C22H24BrP (398.0798894)


   

1,8-Dibenzyl-3-bromo-1,8-diazaspiro[4.5]decane

1,8-Dibenzyl-3-bromo-1,8-diazaspiro[4.5]decane

C22H27BrN2 (398.1357482)


   

DIFLOMOTECAN

20-Ethyl-6,7-difluoro-20-hydroxy-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2(11),3,5,7,9,15(21)-heptaene-14,18-dione

C21H16F2N2O4 (398.107808)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor

   

Benzo1,2-b:4,5-bdifuran-2,6-dione, 3-phenyl-7-(4-propoxyphenyl)-

Benzo1,2-b:4,5-bdifuran-2,6-dione, 3-phenyl-7-(4-propoxyphenyl)-

C25H18O5 (398.1154178)


   

Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-(4-chlorophenyl)-N-cyclopentyl- (9CI)

Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-(4-chlorophenyl)-N-cyclopentyl- (9CI)

C21H23ClN4S (398.13318680000003)


   

Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-(3-chlorophenyl)-N-cyclopentyl- (9CI)

Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-(3-chlorophenyl)-N-cyclopentyl- (9CI)

C21H23ClN4S (398.13318680000003)


   

ODM-201

Darolutamide

C19H19ClN6O2 (398.12579439999996)


L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BB - Anti-androgens C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C146993 - Androgen Receptor Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen

   

(R)-2-[4-(2-fluorobenzyloxy)benzylamino]propanamide methanesulfonate

(R)-2-[4-(2-fluorobenzyloxy)benzylamino]propanamide methanesulfonate

C17H19FN2O2.CH4O3S (398.131164)


   

(R,R)-1,1-Bis(hydroxy(phenyl)methyl)ferrocene

(R,R)-1,1-Bis(hydroxy(phenyl)methyl)ferrocene

C24H22FeO2 (398.09691019999997)


   

Chloro(crotyl)(tri-tert-butylphosphine)palladium(II)

Chloro(crotyl)(tri-tert-butylphosphine)palladium(II)

C16H34ClPPd (398.1121274)


   

Tris(ethylenediamine)cobalt(III) chloride trihydrate

Tris(ethylenediamine)cobalt(III) chloride trihydrate

C6H30Cl3CoN6O3 (398.077684)


   

2,2-thiobis[4-chloro-6-isopropyl-m-cresol]

2,2-thiobis[4-chloro-6-isopropyl-m-cresol]

C20H24Cl2O2S (398.0873984)


   

tert-butyl 4-(3-bromo-5-methoxycarbonylphenyl)piperazine-1-carboxylate

tert-butyl 4-(3-bromo-5-methoxycarbonylphenyl)piperazine-1-carboxylate

C17H23BrN2O4 (398.0841098)


   

8-(4-ethoxyphenyl)-2-methyl-4,7-dioxo-5-phenyl-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile

8-(4-ethoxyphenyl)-2-methyl-4,7-dioxo-5-phenyl-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile

C23H18N4O3 (398.13788379999994)


   

1-(2,3,4,6-TETRA-O-ACETYL-B-D-GLUCOPYRANOSYL)IMIDAZOLE

1-(2,3,4,6-TETRA-O-ACETYL-B-D-GLUCOPYRANOSYL)IMIDAZOLE

C17H22N2O9 (398.13252420000003)


   

(S)-1-(1-(4-Chloro-2-methoxyphenyl)-5-fluoro-1,9-dihydrospiro[cyclopropane-1,4-pyrido[3,4-b]indol]-2(3H)-yl)ethan-1-one

(S)-1-(1-(4-Chloro-2-methoxyphenyl)-5-fluoro-1,9-dihydrospiro[cyclopropane-1,4-pyrido[3,4-b]indol]-2(3H)-yl)ethan-1-one

C22H20ClFN2O2 (398.1197262)


   

(3S)-4-{[4-(But-2-ynyloxy)phenyl]sulfonyl}-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide

(3S)-4-{[4-(But-2-ynyloxy)phenyl]sulfonyl}-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide

C17H22N2O5S2 (398.0970082)


   

N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide

N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide

C20H16F2N4O3 (398.1190409999999)


   

Farnesyl thiopyrophosphate

Farnesyl thiopyrophosphate

C15H28O6P2S (398.1081768)


   

5,7,3-Trihydroxy-3,5-dimethoxy-2-(3-methylbut-2-enyl)flavone

5,7,3-Trihydroxy-3,5-dimethoxy-2-(3-methylbut-2-enyl)flavone

C22H22O7 (398.1365462)


A trihydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 7 and 3, methoxy groups at positions 3 and 5 and a prenyl group at position 2. Isolated from Tabernaemontana macrocarpa, it exhibits inhibitory activity against breast cancer resistance protein.

   

N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-1-benzopyran-2-carboxamide

N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-1-benzopyran-2-carboxamide

C23H14N2O3S (398.07250940000006)


   

4-Amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester

4-Amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester

C17H18N8O2S (398.1273368)


   

4-[butyl(methyl)sulfamoyl]-N-[5-[(methylthio)methyl]-1,3,4-oxadiazol-2-yl]benzamide

4-[butyl(methyl)sulfamoyl]-N-[5-[(methylthio)methyl]-1,3,4-oxadiazol-2-yl]benzamide

C16H22N4O4S2 (398.1082412)


   

7-(2,5-Dimethoxyphenyl)-5-(trifluoromethyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester

7-(2,5-Dimethoxyphenyl)-5-(trifluoromethyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester

C17H17F3N4O4 (398.1201838)


   

4-{[(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}-N-(1,3-thiazol-2-YL)benzenesulfonamide

4-{[(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}-N-(1,3-thiazol-2-YL)benzenesulfonamide

C18H14N4O3S2 (398.05072939999997)


   

5-(4-Cyanophenyl)-3-{[(2-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic acid

5-(4-Cyanophenyl)-3-{[(2-methylphenyl)sulfonyl]amino}thiophene-2-carboxylic acid

C19H14N2O4S2 (398.0394964)


   

(5z)-5-[(5-Ethyl-2-Furyl)methylene]-2-{[(S)-(4-Fluorophenyl)(1h-Tetrazol-5-Yl)methyl]amino}-1,3-Thiazol-4(5h)-One

(5z)-5-[(5-Ethyl-2-Furyl)methylene]-2-{[(S)-(4-Fluorophenyl)(1h-Tetrazol-5-Yl)methyl]amino}-1,3-Thiazol-4(5h)-One

C18H15FN6O2S (398.0961182)


   

S-Adenosyl-DL-methionine

S-Adenosyl-DL-methionine

C15H22N6O5S (398.1372322)


S-Adenosyl-DL-methionine is a derivative of Ademetionine (HY-B0617). Ademetionine is an intermediate metabolite of methionine[1].

   

5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide

2,3,4,5-tetrahydroxy-6-{2-hydroxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}cyclohexane-1-carboxylic acid

C18H22O10 (398.1212912)


5-(3,4-dihydroxyphenyl)-gamma-valerolactone glucuronide is a cocoa metabolite from gut microflora. It is found in urine.

   

2-[8-(Bromomethyl)-4,4-dimethyl-13-oxo-14-oxatetracyclo[6.6.1.01,11.02,5]pentadecan-12-yl]acetic acid

2-[8-(Bromomethyl)-4,4-dimethyl-13-oxo-14-oxatetracyclo[6.6.1.01,11.02,5]pentadecan-12-yl]acetic acid

C19H27BrO4 (398.1092602)


   
   

Bacillithiol

Bacillithiol

C13H22N2O10S (398.09951120000005)


A thiol that is the alpha-anomeric glycoside of L-cysteinyl-D-glucosamine with L-malic acid.

   

(4S,4aS,12aS)-4-amino-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide

(4S,4aS,12aS)-4-amino-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide

C20H18N2O7 (398.11139579999997)


   

methyl 2-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}-1,3-benzothiazole-6-carboxylate

methyl 2-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}-1,3-benzothiazole-6-carboxylate

C18H14N4O3S2 (398.05072939999997)


   

(2R)-{(3S)-3-[(2Z)-2-(hydroxyimino)-2-(4-hydroxyphenyl)acetamido]-2-oxoazetidin-1-yl}(4-hydroxyphenyl)acetate

(2R)-{(3S)-3-[(2Z)-2-(hydroxyimino)-2-(4-hydroxyphenyl)acetamido]-2-oxoazetidin-1-yl}(4-hydroxyphenyl)acetate

C19H16N3O7- (398.0988206)


   

(2E,6E,10E)-omega-hydroxyfarnesyl diphosphate

(2E,6E,10E)-omega-hydroxyfarnesyl diphosphate

C15H28O8P2 (398.1259348)


   

[3-[2-(2-Acetylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]phosphonic acid

[3-[2-(2-Acetylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]phosphonic acid

C13H23N2O8PS-2 (398.0912688)


   

(2R)-2-[(3S)-3-[[(2E)-2-hydroxyimino-2-(4-hydroxyphenyl)acetyl]amino]-2-oxoazetidin-1-yl]-2-(4-hydroxyphenyl)acetate

(2R)-2-[(3S)-3-[[(2E)-2-hydroxyimino-2-(4-hydroxyphenyl)acetyl]amino]-2-oxoazetidin-1-yl]-2-(4-hydroxyphenyl)acetate

C19H16N3O7- (398.0988206)


   

4-Sinapoylquinic acid

4-Sinapoylquinic acid

C18H22O10 (398.1212912)


   

3-O-sinapoylquinic acid

3-O-sinapoylquinic acid

C18H22O10 (398.1212912)


A cinnamate ester obtained by formal condensation of the carboxy group of sinapic acid with the 3-hydroxy group of (-)-quinic acid.

   

16-Iodo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

16-Iodo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

C18H23IO2 (398.07427279999996)


   

(2S)-2-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylamino]-4-methylsulfanylbutanoic acid

(2S)-2-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylamino]-4-methylsulfanylbutanoic acid

C15H22N6O5S (398.1372322)


   

6-Hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-11-oxo-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaene-3-carboxylic acid

6-Hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-11-oxo-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaene-3-carboxylic acid

C20H14O9 (398.06377940000004)


   

S-acetyl-4-phosphopantetheine

S-acetyl-4-phosphopantetheine

C13H23N2O8PS-2 (398.0912688)


   

4-Fluorobenzoic acid 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

4-Fluorobenzoic acid 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

C20H15FN2O4S (398.0736522)


   

4-chloro-N-(3,4-dimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide

4-chloro-N-(3,4-dimethoxyphenyl)thieno[3,2-c]quinoline-2-carboxamide

C20H15ClN2O3S (398.0491870000001)


   

2-[(2-propyl-4-quinazolinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-[(2-propyl-4-quinazolinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C20H22N4OS2 (398.1234962)


   

(6Z)-6-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

(6Z)-6-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C18H15ClN6OS (398.071653)


   

S-acetylphosphopantotheine(2-)

S-acetylphosphopantotheine(2-)

C13H23N2O8PS-2 (398.0912688)


   

N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide

N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide

C17H14N6O6 (398.0974784)


   

[4-(2-Methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-thiophen-2-ylmethanone

[4-(2-Methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-thiophen-2-ylmethanone

C20H22N4OS2 (398.1234962)


   

2-[[4-Phenyl-5-(propylthio)-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole

2-[[4-Phenyl-5-(propylthio)-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole

C19H18N4S3 (398.06935480000004)


   

2-(4-methoxyphenyl)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]acetamide

2-(4-methoxyphenyl)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]acetamide

C19H18N4O4S (398.10487080000007)


   

4-(1-Naphthylmethoxy)benzaldehyde (5-nitro-2-pyridinyl)hydrazone

4-(1-Naphthylmethoxy)benzaldehyde (5-nitro-2-pyridinyl)hydrazone

C23H18N4O3 (398.13788379999994)


   

4-[[Oxo-(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)methyl]amino]benzoic acid methyl ester

4-[[Oxo-(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)methyl]amino]benzoic acid methyl ester

C23H18N4O3 (398.13788379999994)


   

N-[3-chloro-4-[[2-furanyl(oxo)methyl]amino]phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide

N-[3-chloro-4-[[2-furanyl(oxo)methyl]amino]phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide

C20H15ClN2O5 (398.06694500000003)


   

2-(1,3-Benzodioxol-5-yl)-5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-1,3,4-oxadiazole

2-(1,3-Benzodioxol-5-yl)-5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-1,3,4-oxadiazole

C18H11FN4O4S (398.04850180000005)


   

7-(2,3-Dimethoxyphenyl)-5-(trifluoromethyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester

7-(2,3-Dimethoxyphenyl)-5-(trifluoromethyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester

C17H17F3N4O4 (398.1201838)


   

4-chloro-N-[1-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide

4-chloro-N-[1-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide

C16H19ClN4O2S2 (398.06379039999996)


   

N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]amino]benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[[(E)-3-oxo-3-pyridin-4-ylprop-1-enyl]amino]benzenesulfonamide

C19H18N4O4S (398.10487080000007)


   

1-[2-(2,3-dichlorophenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one

1-[2-(2,3-dichlorophenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one

C17H20Cl2N4OS (398.073481)


   

1-[2-(2,6-dichlorophenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one

1-[2-(2,6-dichlorophenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one

C17H20Cl2N4OS (398.073481)


   

N-(2-hydroxy-5-nitrobenzylidene)-1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarbohydrazide

N-(2-hydroxy-5-nitrobenzylidene)-1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarbohydrazide

C19H18N4O6 (398.12262880000003)


   

(-)-6,8-Dihydroxy-5-methoxy-3-methylisocoumarin 6-O-(4-O-methyl-beta-D-glucopyranoside)

(-)-6,8-Dihydroxy-5-methoxy-3-methylisocoumarin 6-O-(4-O-methyl-beta-D-glucopyranoside)

C18H22O10 (398.1212912)


A natural product found in Conoideocrella tenuis.

   
   

(2R,3R,4S)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

(2R,3R,4S)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

C21H19FN2O3S (398.11003560000006)


   

(2S,3R,4S)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

(2S,3R,4S)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

C21H19FN2O3S (398.11003560000006)


   

(2S,3S,4R)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

(2S,3S,4R)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

C21H19FN2O3S (398.11003560000006)


   

methyl 8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoate

methyl 8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoate

C17H23BrN2O4 (398.0841098)


   

(2S,3R,4R)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

(2S,3R,4R)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

C21H19FN2O3S (398.11003560000006)


   

(2R,3S,4S)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

(2R,3S,4S)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

C21H19FN2O3S (398.11003560000006)


   
   
   
   
   
   

6-[2-(Acetyloxymethyl)-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[2-(Acetyloxymethyl)-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

C14H22O13 (398.1060362)


   

6-(3,4-Dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-2-phenylchromen-4-one

6-(3,4-Dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-2-phenylchromen-4-one

C21H18O8 (398.10016279999996)


   

[2-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

[2-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

C22H22O7 (398.1365462)


   
   

Dihydro-nogalonic acid methyl ester

Dihydro-nogalonic acid methyl ester

C21H18O8 (398.10016279999996)


   

4-amino-4-de(dimethylamino)anhydrotetracycline zwitterion

4-amino-4-de(dimethylamino)anhydrotetracycline zwitterion

C20H18N2O7 (398.11139579999997)


A zwtterion obtained by transfer of a proton from the 2-hydroxy to the primary amino group of 4-amino-4-de(dimethylamino)anhydrotetracycline. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

   

nocardicin E(1-)

nocardicin E(1-)

C19H16N3O7 (398.0988206)


Conjugate base of nocardicin E.

   

dppe

1,2-Bis(diphenylphosphino)ethane

C26H24P2 (398.13531639999997)


   

5-Methoxycurcumin

5-Methoxycurcumin

C22H22O7 (398.1365462)


   

5-(3,4-dihydroxyphenyl)-gamma-valerolactone-3-O-glucuronide

5-(3,4-dihydroxyphenyl)-gamma-valerolactone-3-O-glucuronide

C18H22O10 (398.1212912)


   

4-methoxy-N-(2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzohydrazide

4-methoxy-N-(2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzohydrazide

C18H18N6O3S (398.1161038)


   

5-(3,5-Dihydroxyphenyl)-gamma-valerolactone-O-glucuronide-O-methyl

5-(3,5-Dihydroxyphenyl)-gamma-valerolactone-O-glucuronide-O-methyl

C18H22O10 (398.1212912)


   

5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-4-O-methyl-3-O-glucuronide

5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-4-O-methyl-3-O-glucuronide

C18H22O10 (398.1212912)


   

5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-3-O-methyl-4-O-glucuronide

5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-3-O-methyl-4-O-glucuronide

C18H22O10 (398.1212912)


   

4-O-sinapoylquinic acid

4-O-sinapoylquinic acid

C18H22O10 (398.1212912)


A cinnamate ester obtained by formal condensation of the carboxy group of sinapic acid with the 4-hydroxy group of (-)-quinic acid.

   

5-O-sinapoylquinic acid

5-O-sinapoylquinic acid

C18H22O10 (398.1212912)


A cinnamate ester obtained by formal condensation of the carboxy group of sinapic acid with the 5-hydroxy group of (-)-quinic acid.

   

5,3,4-Trihydroxy-3,7-dimethoxy-6-prenylflavone

5,3,4-Trihydroxy-3,7-dimethoxy-6-prenylflavone

C22H22O7 (398.1365462)


   

4-amino-4-de(dimethylamino)anhydrotetracycline

4-amino-4-de(dimethylamino)anhydrotetracycline

C20H18N2O7 (398.11139579999997)


A member of the class of tetracyclines that is anhydrotetracycline in which the two methyl groups attached to the nitrogen have both been replaced by hydrogen.

   

S-Adenosyl-4-methylthio-2-oxobutanoic acid

S-Adenosyl-4-methylthio-2-oxobutanoic acid

C15H20N5O6S (398.11342400000007)


A sulfonium compound comprising 4-methylthio-2-oxobutanoic acid having an adenosin-5-yl group attached to the sulfur.