Exact Mass: 396.0612

Exact Mass Matches: 396.0612

Found 219 metabolites which its exact mass value is equals to given mass value 396.0612, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Sucralose

2-{[2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy}-5-chloro-6-(hydroxymethyl)oxane-3,4-diol

C12H19Cl3O8 (396.0145)


Sucralose is a noncalorific sweetener with good taste properties One report suggests sucralose is a possible trigger for some migraine patients. Another study published in the Journal of Mutation Research linked doses of sucralose equivalent to 11,450 packets per day in a person to DNA damage in mice. Results from over 100 animal and clinical studies in the FDA approval process unanimously indicated a lack of risk associated with sucralose intake. However, some adverse effects were seen at doses that significantly exceeded the estimated daily intake (EDI), which is 1.1 mg/kg/day. When the EDI is compared to the intake at which adverse effects are seen, known as the highest no adverse effects limit (HNEL), at 1500 mg/kg/day, there is a large margin of safety. The bulk of sucralose ingested is not absorbed by the gastrointestinal (GI) tract and is directly excreted in the feces, while 11-27\\% of it is absorbed. The amount that is absorbed from the GI tract is largely removed from the blood stream by the kidneys and eliminated in the urine with 20-30\\% of the absorbed sucralose being metabolized. Sucralose belongs to a class of compounds known as organochlorides (or chlorocarbons). Some organochlorides, particularly those that accumulate in fatty tissues, are toxic to plants or animals, including humans. Sucralose, however, is not known to be toxic in small quantities and is extremely insoluble in fat; it cannot accumulate in fat like chlorinated hydrocarbons. In addition, sucralose does not break down or dechlorinate. Sucralose can be found in more than 4,500 food and beverage products. It is used because it is a no-calorie sweetener, does not promote dental caries, and is safe for consumption by diabetics. Sucralose is used as a replacement for, or in combination with, other artificial or natural sweeteners such as aspartame, acesulfame potassium or high-fructose corn syrup. Sucralose is used in products such as candy, breakfast bars and soft drinks. It is also used in canned fruits wherein water and sucralose take the place of much higher calorie corn syrup based additives. Sucralose mixed with maltodextrin or dextrose (both made from corn) as bulking agents is sold internationally by McNeil Nutritionals under the Splenda brand name. In the United States and Canada, this blend is increasingly found in restaurants, including McDonalds, Tim Hortons and Starbucks, in yellow packets, in contrast to the blue packets commonly used by aspartame and the pink packets used by those containing saccharin sweeteners; though in Canada yellow packets are also associated with the SugarTwin brand of cyclamate sweetener. Sucralose is a highly heat-stable artificial sweetener, allowing it to be used in many recipes with little or no sugar. Sucralose is available in a granulated form that allows for same-volume substitution with sugar. This mix of granulated sucralose includes fillers, all of which rapidly dissolve in liquids.[citation needed] Unlike sucrose which dissolves to a clear state, sucralose suspension in clear liquids such as water results in a cloudy state. For example, gelatin and fruit preserves made with sucrose have a satiny, near jewel-like appearance, whereas the same products made with sucralose (whether cooked or not) appear translucent and marginally glistening.[citation needed] While the granulated sucralose provides apparent volume-for-volume sweetness, the texture in baked products may be noticeably different. Sucralose is non-hygroscopic, meaning it does not attract moisture, which can lead to baked goods that are noticeably drier and manifesting a less dense texture than baked products made with sucrose. Unlike sucrose which melts when baked at high temperatures, sucralose maintains its granular structure when subjected to dry, high heat (e.g., in a 350 ¬?F (177 ¬?C) oven). Thus, in some baking recipes, such as burnt cream, which require sugar sprinkled on top to partially or fully melt and crystallize, substituting sucr... D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 703

   

Cefalotin

(6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C16H16N2O6S2 (396.045)


Cefalotin is only found in individuals that have used or taken this drug. It is a cephalosporin antibiotic.The bactericidal activity of cefalotin results from the inhibition of cell wall synthesis via affinity for penicillin-binding proteins (PBPs). The PBPs are transpeptidases which are vital in peptidoglycan biosynthesis. Therefore, their inhibition prevents this vital cell wall compenent from being properly synthesized. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DB - First-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

   

Nogalonic acid methyl ester

Nogalonic acid methyl ester

C21H16O8 (396.0845)


   

Auraviketone

Auraviketone

C21H16O8 (396.0845)


   

Aklanonic acid

[4,5-Dihydroxy-9,10-dioxo-3-(3-oxopentanoyl)-9,10-dihydroanthracen-2-yl]acetic acid

C21H16O8 (396.0845)


   

Sulfazecin

Isosulfazecin

C12H20N4O9S (396.0951)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams

   

Nitrovin hydrochloride

3-[3-(5-Nitro-2-furyl)-1-[2-(5-nitro-2-furyl)vinyl]allylidene]carbazamidine monohydrochloride

C14H13ClN6O6 (396.0585)


   

methyl (1R,2S)-2,5,7-trihydroxy-2-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

methyl (1R,2S)-2,5,7-trihydroxy-2-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

C21H16O8 (396.0845)


   
   
   

Fosbretabulin

{2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy}phosphonic acid

C18H21O8P (396.0974)


   

4H-Thieno(2,3-b)thiopyran-2-sulfonamide, 5,6-dihydro-6-(3-methoxypropyl)-4-(propylamino)-, 7,7-dioxide, (4S,6S)-

4H-Thieno(2,3-b)thiopyran-2-sulfonamide, 5,6-dihydro-6-(3-methoxypropyl)-4-(propylamino)-, 7,7-dioxide, (4S,6S)-

C14H24N2O5S3 (396.0847)


   

Persicarin

[5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl]oxidanesulphonic acid

C16H12O10S (396.0151)


Persicarin is a member of the class of compounds known as 3-sulfated flavonoids. 3-sulfated flavonoids are flavonoids that are sulfated at the 3-ring position of the flavonoid skeleton. Thus, persicarin is considered to be a flavonoid lipid molecule. Persicarin is practically insoluble (in water) and an extremely strong acidic compound (based on its pKa). Persicarin can be found in dill, which makes persicarin a potential biomarker for the consumption of this food product.

   

TIIAS

Phenanthro(1,2-b)furan-2-sulfonic acid, 6,7,8,9,10,11-hexahydro-1,6,6-trimethyl-10,11-dioxo-, sodium salt

C19H17O6S-.Na+ (396.0644)


   
   

4-O-Demethyldehydropodophyllotoxin

4-O-Demethyldehydropodophyllotoxin

C21H16O8 (396.0845)


   

6-Hydroxyluteolin 3-methyl ether 7-sulfate

6-Hydroxyluteolin 3-methyl ether 7-sulfate

C16H12O10S (396.0151)


   

6-Hydroxykaempferol 3-methyl ether 7-O-sulfate

6-Hydroxykaempferol 3-methyl ether 7-O-sulfate

C16H12O10S (396.0151)


   

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

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

C21H16O8 (396.0845)


   

6-Methoxykaempferol 3-O-sulfate

6-Methoxykaempferol 3-O-sulfate

C16H12O10S (396.0151)


   

6-Methoxyluteolin 7-sulfate

5,7,3,4-Tetrahydroxy-6-methoxyflavone 7-sulfate

C16H12O10S (396.0151)


   

Isorhamnetin 7-O-sulfate

3,5,7,4-Tetrahydroxy-3-methoxyflavone 7-O-sulfate

C16H12O10S (396.0151)


   

Tamarixetin 3-O-sulfate

3,5,7,3-Tetrahydroxy-4-methoxyflavone 3-O-sulfate

C16H12O10S (396.0151)


   

Persicarin

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

C16H12O10S (396.0151)


   
   
   
   

N-{[5-(2-Thienyl)-2-thienylcarbonyl]oxy}-3-(trifluoromethyl)benzenecarboximidamide

N-{[5-(2-Thienyl)-2-thienylcarbonyl]oxy}-3-(trifluoromethyl)benzenecarboximidamide

C17H11F3N2O2S2 (396.0214)


   
   
   
   

(-)-mitorubrinal

(-)-mitorubrinal

C21H16O8 (396.0845)


   

preussomerin C

preussomerin C

C21H16O8 (396.0845)


   

Me ester,di-Ac-3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid

Me ester,di-Ac-3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid

C21H16O8 (396.0845)


   

Rhamnetin 3-O-sulfate

Rhamnetin 3-O-sulfate

C16H12O10S (396.0151)


   
   

CHEMBL521394

CHEMBL521394

C21H16O8 (396.0845)


   
   

Tri-Ac-1,3,8-Trihydroxy-2-methylanthraquinone

Tri-Ac-1,3,8-Trihydroxy-2-methylanthraquinone

C21H16O8 (396.0845)


   

[4-(5,7-diacetyloxy-4-oxochromen-3-yl)phenyl] acetate

[4-(5,7-diacetyloxy-4-oxochromen-3-yl)phenyl] acetate

C21H16O8 (396.0845)


   

2-O-acetylscopolin

2-O-acetylscopolin

C18H20O10 (396.1056)


   

O-Methylvicanicin

O-Methylvicanicin

C19H18Cl2O5 (396.0531)


   

Cyclovariegatin-2-acetat

Cyclovariegatin-2-acetat

C20H12O9 (396.0481)


   

Tri-Ac-1,3,6-Trihydroxy-2-methylanthraquinone

Tri-Ac-1,3,6-Trihydroxy-2-methylanthraquinone

C21H16O8 (396.0845)


   
   

(2S,6R)-7-Brom-4,6,2-trimethoxy-6-methyl-spiro[benzofuran-2,1-cyclohex-2-en]-3,4-dion|(2S,6R)-7-bromo-4,6,2-trimethoxy-6-methyl-spiro[benzofuran-2,1-cyclohex-2-ene]-3,4-dione

(2S,6R)-7-Brom-4,6,2-trimethoxy-6-methyl-spiro[benzofuran-2,1-cyclohex-2-en]-3,4-dion|(2S,6R)-7-bromo-4,6,2-trimethoxy-6-methyl-spiro[benzofuran-2,1-cyclohex-2-ene]-3,4-dione

C17H17BrO6 (396.0208)


   

(2R,3S,4R,5S,6S,7R)- 2,3,5,6,7-pentachloropentadec-14-en-4-ol

(2R,3S,4R,5S,6S,7R)- 2,3,5,6,7-pentachloropentadec-14-en-4-ol

C15H25Cl5O (396.0348)


   

(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,9,10-tetrahydroxy-2,3-trans-3,4-dihydro-2H-benzofurano[2,3-h]chromene|gambircatechol

(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,9,10-tetrahydroxy-2,3-trans-3,4-dihydro-2H-benzofurano[2,3-h]chromene|gambircatechol

C21H16O8 (396.0845)


   

Pestalotether A

Pestalotether A

C18H17ClO8 (396.0612)


   

Pestalotether C

Pestalotether C

C18H17ClO8 (396.0612)


   
   

erigeronone A

erigeronone A

C20H12O9 (396.0481)


   

6-(2-carboxyvinyl)-7-methoxy-5-hydroxybenzofuran-5-O-beta-D-glucopyranoside

6-(2-carboxyvinyl)-7-methoxy-5-hydroxybenzofuran-5-O-beta-D-glucopyranoside

C18H20O10 (396.1056)


   

6,8-dimethoxy-7-(6?-methoxy-7?-coumarinyloxy)coumarin

6,8-dimethoxy-7-(6?-methoxy-7?-coumarinyloxy)coumarin

C21H16O8 (396.0845)


   

methyl rel-(1S,2R,3R,5S,7R)-7-[(E)-caffeoyloxymethyl]-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylate

methyl rel-(1S,2R,3R,5S,7R)-7-[(E)-caffeoyloxymethyl]-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylate

C18H20O10 (396.1056)


   

Tri-Ac-Digiferrol

Tri-Ac-Digiferrol

C21H16O8 (396.0845)


   

Fuscoporine

Fuscoporine

C21H16O8 (396.0845)


   

3,4-dimetoxyphenyl 1-O-beta-(6-sulpho)-glucopyranoside

3,4-dimetoxyphenyl 1-O-beta-(6-sulpho)-glucopyranoside

C14H20O11S (396.0726)


   
   

methyl chloroasterrate

methyl chloroasterrate

C18H17ClO8 (396.0612)


   

N-Hydroxy-N-[1-[6-[1-(benzo[b]thiophene-2-yl)ethyl]benzo[b]thiophene-2-yl]ethyl]urea

N-Hydroxy-N-[1-[6-[1-(benzo[b]thiophene-2-yl)ethyl]benzo[b]thiophene-2-yl]ethyl]urea

C21H20N2O2S2 (396.0966)


   

3-(1-Oxo-3-hydroxy-2-butenyl)-4,5-dihydroxy-9,10-dihydro-9,10-dioxoanthracene-2-acetic acid methyl ester

3-(1-Oxo-3-hydroxy-2-butenyl)-4,5-dihydroxy-9,10-dihydro-9,10-dioxoanthracene-2-acetic acid methyl ester

C21H16O8 (396.0845)


   

dehydrochebulic acid trimethyl ester|Trimethyl ester dehydrochebulic acid

dehydrochebulic acid trimethyl ester|Trimethyl ester dehydrochebulic acid

C17H16O11 (396.0693)


   

1,4,5-Triacetoxy-2-methyl-anthrachinon|1,4,5-triacetoxy-2-methyl-anthraquinone|islandicin peracetate|islandicin triacetate|Islandicintriacetat|Islanelicintriacetat|Tri-Ac-1,4,5-Trihydroxy-2-methylanthraquinone|Tri-O-acetyl-islandicin

1,4,5-Triacetoxy-2-methyl-anthrachinon|1,4,5-triacetoxy-2-methyl-anthraquinone|islandicin peracetate|islandicin triacetate|Islandicintriacetat|Islanelicintriacetat|Tri-Ac-1,4,5-Trihydroxy-2-methylanthraquinone|Tri-O-acetyl-islandicin

C21H16O8 (396.0845)


   

Thymidine, 5-o-(p-toluenesulfonyl)-

Thymidine, 5-o-(p-toluenesulfonyl)-

C17H20N2O7S (396.0991)


   
   

6-O-acetylscopolin

6-O-acetylscopolin

C18H20O10 (396.1056)


   

Apigenin triacetate

Apigenin triacetate

C21H16O8 (396.0845)


   

TIIAS

Phenanthro(1,2-b)furan-2-sulfonic acid, 6,7,8,9,10,11-hexahydro-1,6,6-trimethyl-10,11-dioxo-, sodium salt

C19H17NaO6S (396.0644)


   

4-Demethyldehydropodophyllotoxin

9-Hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)furo[3,4:6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one

C21H16O8 (396.0845)


   

Thiazopyr

Thiazopyr

C16H17F5N2O2S (396.0931)


Pre-emergence control herbicide, inhibitor of cell division. It is used on fruit trees, vines sugar cane, pineapples and citrus fruits CONFIDENCE standard compound; INTERNAL_ID 1070; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9520; ORIGINAL_PRECURSOR_SCAN_NO 9518 CONFIDENCE standard compound; INTERNAL_ID 1070; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9530; ORIGINAL_PRECURSOR_SCAN_NO 9527 CONFIDENCE standard compound; INTERNAL_ID 1070; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9534; ORIGINAL_PRECURSOR_SCAN_NO 9533 CONFIDENCE standard compound; INTERNAL_ID 1070; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9569; ORIGINAL_PRECURSOR_SCAN_NO 9568 CONFIDENCE standard compound; INTERNAL_ID 1070; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9593; ORIGINAL_PRECURSOR_SCAN_NO 9591 CONFIDENCE standard compound; INTERNAL_ID 1070; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9579; ORIGINAL_PRECURSOR_SCAN_NO 9577 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3052

   

Sucralose

Sucralose

C12H19Cl3O8 (396.0145)


D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents CONFIDENCE Reference Standard (Level 1)

   
   

Acetylnemetzon

Acetylnemetzon

C21H16O8 (396.0845)


   

Flucarbazone

3-methoxy-4-methyl-5-oxo-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,2,4-triazole-1-carboxamide

C12H11F3N4O6S (396.0351)


CONFIDENCE standard compound; INTERNAL_ID 147; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3500; ORIGINAL_PRECURSOR_SCAN_NO 3498 CONFIDENCE standard compound; INTERNAL_ID 147; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3490; ORIGINAL_PRECURSOR_SCAN_NO 3488 CONFIDENCE standard compound; INTERNAL_ID 147; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3481; ORIGINAL_PRECURSOR_SCAN_NO 3477 CONFIDENCE standard compound; INTERNAL_ID 147; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3485; ORIGINAL_PRECURSOR_SCAN_NO 3481 CONFIDENCE standard compound; INTERNAL_ID 147; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3482; ORIGINAL_PRECURSOR_SCAN_NO 3480 CONFIDENCE standard compound; INTERNAL_ID 147; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3483; ORIGINAL_PRECURSOR_SCAN_NO 3481 CONFIDENCE standard compound; INTERNAL_ID 147; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7700; ORIGINAL_PRECURSOR_SCAN_NO 7699 CONFIDENCE standard compound; INTERNAL_ID 147; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7696; ORIGINAL_PRECURSOR_SCAN_NO 7694 CONFIDENCE standard compound; INTERNAL_ID 147; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7709; ORIGINAL_PRECURSOR_SCAN_NO 7707 CONFIDENCE standard compound; INTERNAL_ID 147; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7721; ORIGINAL_PRECURSOR_SCAN_NO 7719 CONFIDENCE standard compound; INTERNAL_ID 147; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7744; ORIGINAL_PRECURSOR_SCAN_NO 7742 CONFIDENCE standard compound; INTERNAL_ID 147; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7710; ORIGINAL_PRECURSOR_SCAN_NO 7708

   

N6-Aristololactam-II-adenine

N6-Aristololactam-II-adenine

C21H12N6O3 (396.0971)


   
   

Cys Cys Asp Gly

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

C12H20N4O7S2 (396.0773)


   

Cys Cys Gly Asp

(2S)-2-{2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]acetamido}butanedioic acid

C12H20N4O7S2 (396.0773)


   

Cys Asp Cys Gly

(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-3-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl]carbamoyl}propanoic acid

C12H20N4O7S2 (396.0773)


   

Cys Asp Gly Cys

(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-3-[({[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}methyl)carbamoyl]propanoic acid

C12H20N4O7S2 (396.0773)


   

Cys Gly Cys Asp

(2S)-2-[(2R)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-3-sulfanylpropanamido]butanedioic acid

C12H20N4O7S2 (396.0773)


   

Cys Gly Asp Cys

(3S)-3-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid

C12H20N4O7S2 (396.0773)


   

Asp Cys Cys Gly

(3S)-3-amino-3-{[(1R)-1-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

C12H20N4O7S2 (396.0773)


   

Asp Cys Gly Cys

(3S)-3-amino-3-{[(1R)-1-[({[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}methyl)carbamoyl]-2-sulfanylethyl]carbamoyl}propanoic acid

C12H20N4O7S2 (396.0773)


   

Asp Gly Cys Cys

(3S)-3-amino-3-[({[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}methyl)carbamoyl]propanoic acid

C12H20N4O7S2 (396.0773)


   

Gly Cys Cys Asp

(2S)-2-[(2R)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-sulfanylpropanamido]butanedioic acid

C12H20N4O7S2 (396.0773)


   

Gly Cys Asp Cys

(3S)-3-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid

C12H20N4O7S2 (396.0773)


   

Gly Asp Cys Cys

(3S)-3-(2-aminoacetamido)-3-{[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

C12H20N4O7S2 (396.0773)


   

4-Hydroxylevamisole Glucuronide

4-Hydroxylevamisole Glucuronide

C17H20N2O7S (396.0991)


   

Visor

methyl 2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylate

C16H17F5N2O2S (396.0931)


   

TERT-BUTYL 4-IODO-6-PHENYLPYRIDIN-3-YLCARBAMATE

TERT-BUTYL 4-IODO-6-PHENYLPYRIDIN-3-YLCARBAMATE

C16H17IN2O2 (396.0335)


   

Ethyl 4-acetoxy-8-bromo-5,6-dimethoxy-2-naphthoate

Ethyl 4-acetoxy-8-bromo-5,6-dimethoxy-2-naphthoate

C17H17BrO6 (396.0208)


   
   
   

5-BROMO-3-(1-(ETHYLSULFONYL)PIPERIDIN-4-YL)-1H-INDAZOLE-7-CARBONITRILE

5-BROMO-3-(1-(ETHYLSULFONYL)PIPERIDIN-4-YL)-1H-INDAZOLE-7-CARBONITRILE

C15H17BrN4O2S (396.0256)


   

Methyl 4-acetoxy-7-bromo-5,8-dimethoxy-6-methyl-2-naphthoate

Methyl 4-acetoxy-7-bromo-5,8-dimethoxy-6-methyl-2-naphthoate

C17H17BrO6 (396.0208)


   

Methyl 5-acetoxy-7-bromo-4,8-dimethoxy-6-methyl-2-naphthoate

Methyl 5-acetoxy-7-bromo-4,8-dimethoxy-6-methyl-2-naphthoate

C17H17BrO6 (396.0208)


   

9-(4-Bromophenyl)-9-phenylfluorene

9-(4-Bromophenyl)-9-phenylfluorene

C25H17Br (396.0514)


   

(4-METHYLTHIOPHENYL)METHYL PHENYL SULF&

(4-METHYLTHIOPHENYL)METHYL PHENYL SULF&

C15H15F3O3S3 (396.0135)


   

(4,5-diacetyloxy-9,10-dioxoanthracen-2-yl)methyl acetate

(4,5-diacetyloxy-9,10-dioxoanthracen-2-yl)methyl acetate

C21H16O8 (396.0845)


   

(Cyclopropylmethyl)(triphenyl)phosphonium bromide

(Cyclopropylmethyl)(triphenyl)phosphonium bromide

C22H22BrP (396.0642)


   

potassium lactobionate

potassium lactobionate

C12H21KO12 (396.067)


   

fosbretabulin

Fosbretabulin disodium

C18H21O8P (396.0974)


C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent D000970 - Antineoplastic Agents

   
   

N,N-diethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline,iodide

N,N-diethyl-4-[(1-methylpyridin-1-ium-4-yl)diazenyl]aniline,iodide

C16H21IN4 (396.0811)


   

Thymidine,5-(4-methylbenzenesulfonate)

Thymidine,5-(4-methylbenzenesulfonate)

C17H20N2O7S (396.0991)


   

1-[2-(Benzyloxy)-5-bromophenyl]adamantane

1-[2-(Benzyloxy)-5-bromophenyl]adamantane

C23H25BrO (396.1089)


   

Sodium Thiophosphate

Sodium Thiophosphate

H24Na3O15PS (396.0267)


   

4-Bromo-9,9-diphenyl-9H-fluorene

4-Bromo-9,9-diphenyl-9H-fluorene

C25H17Br (396.0514)


   

5-((4-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)QUINOLIN-6-YL)METHYLENE)THIAZOLIDINE-2,4-DIONE

5-((4-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)QUINOLIN-6-YL)METHYLENE)THIAZOLIDINE-2,4-DIONE

C19H12N2O4S2 (396.0238)


   

2-BENZYLOXY-5-BROMO-BENZOIC ACID BENZYL ESTER

2-BENZYLOXY-5-BROMO-BENZOIC ACID BENZYL ESTER

C21H17BrO3 (396.0361)


   
   

(PENTAFLUOROETHYL)DIPHENYLPHOSPHINE

(PENTAFLUOROETHYL)DIPHENYLPHOSPHINE

C12H5F13 (396.0184)


   

2-(1-oxonaphtho[2,1-b]thien-2(1H)-ylidene)naphtho[2,1-b]thiophen-1(2H)-one

2-(1-oxonaphtho[2,1-b]thien-2(1H)-ylidene)naphtho[2,1-b]thiophen-1(2H)-one

C24H12O2S2 (396.0279)


   

3-(2-Benzyloxy-5-bromo-phenyl)-3-phenyl-propan-1-ol

3-(2-Benzyloxy-5-bromo-phenyl)-3-phenyl-propan-1-ol

C22H21BrO2 (396.0725)


   

Calcium cyclamate

Calcium bis(cyclohexylsulphamate)

C12H24CaN2O6S2 (396.0702)


D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents

   

TERT-BUTYL 6-BROMO-4-OXO-3,4-DIHYDRO-1H-SPIRO[1,3-BENZOXAZINE-2,4-PIPERIDINE]-1-CARBOXYLATE

TERT-BUTYL 6-BROMO-4-OXO-3,4-DIHYDRO-1H-SPIRO[1,3-BENZOXAZINE-2,4-PIPERIDINE]-1-CARBOXYLATE

C17H21BrN2O4 (396.0685)


   

2-Bromo-9,9-diphenylfluorene

2-Bromo-9,9-diphenylfluorene

C25H17Br (396.0514)


   

3,5-bis(4-Nitrophenoxy)benzoic acid

3,5-bis-(4-Nitrophenoxy)benzoic acid

C19H12N2O8 (396.0594)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   
   

2-(4-Iodophenyl)-1-phenyl-1H-benzimidazole

2-(4-Iodophenyl)-1-phenyl-1H-benzimidazole

C19H13IN2 (396.0123)


   

9-(2-BroMo-phenyl)-9-phenyl-9H-fluorene

9-(2-BroMo-phenyl)-9-phenyl-9H-fluorene

C25H17Br (396.0514)


   

Phosphonium,3-buten-1-yltriphenyl-, bromide (1:1)

Phosphonium,3-buten-1-yltriphenyl-, bromide (1:1)

C22H22BrP (396.0642)


   

1,1-OXYBIS[3-NITRO-5(TRIFLUOROMETHYL)BENZENE]

1,1-OXYBIS[3-NITRO-5(TRIFLUOROMETHYL)BENZENE]

C14H6F6N2O5 (396.0181)


   

METHYL (S)-2-(BOC-AMINO)-3-(5-BROMO-3-INDOLYL)PROPANOATE

METHYL (S)-2-(BOC-AMINO)-3-(5-BROMO-3-INDOLYL)PROPANOATE

C17H21BrN2O4 (396.0685)


   

5,6-Dihydro-6-(3-methoxypropyl)-4-(propylamino)-4H-thieno(2,3-b)thiopyran-2-sulfonamide 7,7-dioxide

5,6-Dihydro-6-(3-methoxypropyl)-4-(propylamino)-4H-thieno(2,3-b)thiopyran-2-sulfonamide 7,7-dioxide

C14H24N2O5S3 (396.0847)


   

5-[4-(4-Chlorobenzoyl)-1-piperazinyl]-8-nitroquinoline

5-[4-(4-Chlorobenzoyl)-1-piperazinyl]-8-nitroquinoline

C20H17ClN4O3 (396.0989)


SIRT2-IN-8 is a potent SIRT2 inhibitor. SIRT2-IN-8 can be used for Huntington’s and Parkinson’s diseases research[1].

   
   

3-(4-Fluorophenoxy)-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene 1-oxide

3-(4-Fluorophenoxy)-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene 1-oxide

C22H17FO4S (396.0832)


   

3-(2-Furanylmethyl)-5,6-dimethyl-2-[(3-methylphenyl)methylthio]-4-thieno[2,3-d]pyrimidinone

3-(2-Furanylmethyl)-5,6-dimethyl-2-[(3-methylphenyl)methylthio]-4-thieno[2,3-d]pyrimidinone

C21H20N2O2S2 (396.0966)


   

4-[(1,3-Dioxo-5-benzo[de]isoquinolinyl)sulfonylamino]benzoic acid

4-[(1,3-Dioxo-5-benzo[de]isoquinolinyl)sulfonylamino]benzoic acid

C19H12N2O6S (396.0416)


   

Zinc;[amino-[2-[[5-[amino(azaniumylidene)methyl]benzimidazol-1-id-2-yl]methyl]benzimidazol-1-id-5-yl]methylidene]azanium

Zinc;[amino-[2-[[5-[amino(azaniumylidene)methyl]benzimidazol-1-id-2-yl]methyl]benzimidazol-1-id-5-yl]methylidene]azanium

C17H16N8Zn+2 (396.0789)


   

4-Dedimethylamino-4-oxo-anhydrotetracycline

4-Dedimethylamino-4-oxo-anhydrotetracycline

C20H14NO8- (396.0719)


   
   

methyl (1R,2R)-2,5,7-trihydroxy-2-methyl-4,6,11-trioxo-1,3-dihydrotetracene-1-carboxylate

methyl (1R,2R)-2,5,7-trihydroxy-2-methyl-4,6,11-trioxo-1,3-dihydrotetracene-1-carboxylate

C21H16O8 (396.0845)


   

Trans-combretastatin A-4 phosphate (*disodium salt*)

Trans-combretastatin A-4 phosphate (*disodium salt*)

C18H21O8P (396.0974)


   

1-(4-Fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea

1-(4-Fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea

C18H13F5N4O (396.1009)


   

3-(2,4-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one

3-(2,4-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one

C20H16N2O3S2 (396.0602)


   

N-tert-butyl-2-[(2-chloro-1-oxoethyl)-(2-furanylmethyl)amino]-2-(4-chlorophenyl)acetamide

N-tert-butyl-2-[(2-chloro-1-oxoethyl)-(2-furanylmethyl)amino]-2-(4-chlorophenyl)acetamide

C19H22Cl2N2O3 (396.1007)


   

2-[(4-Chlorophenyl)sulfonyl-methylamino]acetic acid (2-anilino-2-oxoethyl) ester

2-[(4-Chlorophenyl)sulfonyl-methylamino]acetic acid (2-anilino-2-oxoethyl) ester

C17H17ClN2O5S (396.0547)


   

N-[4-methyl-5-[2-(4-methylanilino)-4-thiazolyl]-2-thiazolyl]-2-furancarboxamide

N-[4-methyl-5-[2-(4-methylanilino)-4-thiazolyl]-2-thiazolyl]-2-furancarboxamide

C19H16N4O2S2 (396.0715)


   

2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

C18H16N6OS2 (396.0827)


   

N-[3-[(4-chlorophenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyridinecarboxamide

N-[3-[(4-chlorophenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyridinecarboxamide

C21H17ClN2O2S (396.0699)


   

1-[2-Furanyl(oxo)methyl]-6-(1-pyrrolidinylsulfonyl)-2-benzo[cd]indolone

1-[2-Furanyl(oxo)methyl]-6-(1-pyrrolidinylsulfonyl)-2-benzo[cd]indolone

C20H16N2O5S (396.078)


   

5-bromo-N-[2-(4-fluorophenyl)-2-(4-morpholinyl)ethyl]-2-furancarboxamide

5-bromo-N-[2-(4-fluorophenyl)-2-(4-morpholinyl)ethyl]-2-furancarboxamide

C17H18BrFN2O3 (396.0485)


   

N-[[2-cyanoethyl(methyl)amino]-sulfanylidenemethyl]-4-(4-morpholinylsulfonyl)benzamide

N-[[2-cyanoethyl(methyl)amino]-sulfanylidenemethyl]-4-(4-morpholinylsulfonyl)benzamide

C16H20N4O4S2 (396.0926)


   

2,4-diamino-10-(2-chlorophenyl)-5-imino-8-oxo-7,8,9,10-tetrahydro-5H-thiopyrano[2,3-b:4,5-b]dipyridine-3-carbonitrile

2,4-diamino-10-(2-chlorophenyl)-5-imino-8-oxo-7,8,9,10-tetrahydro-5H-thiopyrano[2,3-b:4,5-b]dipyridine-3-carbonitrile

C18H13ClN6OS (396.056)


   

(6R,7S)-3-(acetyloxymethyl)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7S)-3-(acetyloxymethyl)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C16H16N2O6S2 (396.045)


   

5-(2-Methoxy-2-oxoethyl)uridine 5-monophosphate

5-(2-Methoxy-2-oxoethyl)uridine 5-monophosphate

C12H17N2O11P (396.057)


   

(2Z)-2-[(3-Hydroxyphenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one

(2Z)-2-[(3-Hydroxyphenyl)methylidene]-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one

C24H16N2O2S (396.0932)


   

5-(3-Methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione

5-(3-Methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione

C20H16N2O5S (396.078)


   

[3-(3,5,7-Trihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] hydrogen sulate

[3-(3,5,7-Trihydroxy-6-methoxy-4-oxochromen-2-yl)phenyl] hydrogen sulate

C16H12O10S (396.0151)


   

bromotsitsikammamine B

bromotsitsikammamine B

C19H15BrN3O2+ (396.0348)


   

2,3,4,6,7-Pentaacetoxy-2,4,6-cycloheptatrien-1-one

2,3,4,6,7-Pentaacetoxy-2,4,6-cycloheptatrien-1-one

C17H16O11 (396.0693)


   

Cephalothin

Cephalothin

C16H16N2O6S2 (396.045)


J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DB - First-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

   

[4,5-Dihydroxy-9,10-dioxo-3-(3-oxopentanoyl)-9,10-dihydroanthracen-2-yl]acetic acid

[4,5-Dihydroxy-9,10-dioxo-3-(3-oxopentanoyl)-9,10-dihydroanthracen-2-yl]acetic acid

C21H16O8 (396.0845)


   

Nogalaviketone

methyl (1R,2S)-2,5,7-trihydroxy-2-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

C21H16O8 (396.0845)


A methyl ester derived from (1R,2S)-2,5,7-trihydroxy-2-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylic acid.

   

4-de(dimethylamino)-4-oxoanhydrotetracycline(1-)

4-de(dimethylamino)-4-oxoanhydrotetracycline(1-)

C20H14NO8 (396.0719)


An organic anion that is the conjugate base of 4-dedimethylamino-4-oxoanhydrotetracycline, obtained by deprotonation of the 2-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

   

Cefalotin

Cefalotin

C16H16N2O6S2 (396.045)


A semisynthetic, first-generation cephalosporin antibiotic with acetoxymethyl and (2-thienylacetyl)nitrilo moieties at positions 3 and 7, respectively, of the core structure. Administered parenterally during surgery and to treat a wide spectrum of blood infections.

   
   

PIT

PIT

C20H16N2O5S (396.078)


PIT (2,2'-Pyridylisatogen tosylate) is a selective and non-competitive antagonist of P2Y1 receptor with an IC50 value of 0.14 μM for human P2Y1 receptor. PIT antagonizes P2Y1 receptor signaling without affecting nucleotide binding. PIT is an irreversible antagonist of responses to ATP at metabotropic purinoceptors (of the P2Y family) in some smooth muscles. PIT can be used for the research of chronic bronchitis and asthma[1][2][3].

   

(2r,3r,4s,5r,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(6-methoxy-2-oxochromen-7-yl)oxy]oxan-4-yl acetate

(2r,3r,4s,5r,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(6-methoxy-2-oxochromen-7-yl)oxy]oxan-4-yl acetate

C18H20O10 (396.1056)


   

5,13-dichloro-14-hydroxy-6-methoxy-4,7,12-trimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-15-carbaldehyde

5,13-dichloro-14-hydroxy-6-methoxy-4,7,12-trimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-15-carbaldehyde

C18H14Cl2O6 (396.0167)


   

10-hydroxy-16-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,12-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8,10,15-pentaen-14-one

10-hydroxy-16-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,12-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8,10,15-pentaen-14-one

C21H16O8 (396.0845)


   

13,15-dichloro-5,14-dihydroxy-7,12-dipropyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one

13,15-dichloro-5,14-dihydroxy-7,12-dipropyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one

C19H18Cl2O5 (396.0531)


   

methyl 1,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalene-2-carboxylate

methyl 1,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalene-2-carboxylate

C18H20O10 (396.1056)


   

2-(2h-1,3-benzodioxol-5-yl)-3,5,6-trimethoxyfuro[2,3-h]chromen-4-one

2-(2h-1,3-benzodioxol-5-yl)-3,5,6-trimethoxyfuro[2,3-h]chromen-4-one

C21H16O8 (396.0845)


   

7,10,15-trihydroxy-2,4,17-trimethyl-13,20-dioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1(12),4,9,14,16,18-hexaene-6,8,11-trione

7,10,15-trihydroxy-2,4,17-trimethyl-13,20-dioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1(12),4,9,14,16,18-hexaene-6,8,11-trione

C21H16O8 (396.0845)


   

5,8-bis(acetyloxy)-6-methyl-9,10-dioxoanthracen-1-yl acetate

5,8-bis(acetyloxy)-6-methyl-9,10-dioxoanthracen-1-yl acetate

C21H16O8 (396.0845)


   

methyl 1,5-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalene-2-carboxylate

methyl 1,5-dihydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalene-2-carboxylate

C18H20O10 (396.1056)


   

(2r)-2-amino-4-{[(1r)-1-{[(3r)-3-methoxy-2-oxo-1-sulfoazetidin-3-yl]-c-hydroxycarbonimidoyl}ethyl]-c-hydroxycarbonimidoyl}butanoic acid

(2r)-2-amino-4-{[(1r)-1-{[(3r)-3-methoxy-2-oxo-1-sulfoazetidin-3-yl]-c-hydroxycarbonimidoyl}ethyl]-c-hydroxycarbonimidoyl}butanoic acid

C12H20N4O9S (396.0951)


   

anthraxin

NA

C21H16O8 (396.0845)


{"Ingredient_id": "HBIN016298","Ingredient_name": "anthraxin","Alias": "NA","Ingredient_formula": "C21H16O8","Ingredient_Smile": "CC(CC1=CC(=O)C2=C(O1)C=C(C3=C2OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)O","Ingredient_weight": "396.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1371","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101515731","DrugBank_id": "NA"}

   

5,15-dichloro-6,14-dihydroxy-4,12-dipropyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

5,15-dichloro-6,14-dihydroxy-4,12-dipropyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

C19H18Cl2O5 (396.0531)


   

3,5-dihydroxy-2-(hydroxymethyl)-6-[(6-methoxy-2-oxochromen-7-yl)oxy]oxan-4-yl acetate

3,5-dihydroxy-2-(hydroxymethyl)-6-[(6-methoxy-2-oxochromen-7-yl)oxy]oxan-4-yl acetate

C18H20O10 (396.1056)


   

(3s,6r)-6-bromo-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-3-methylhex-1-en-3-ol

(3s,6r)-6-bromo-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-3-methylhex-1-en-3-ol

C15H26Br2O2 (396.0299)


   

[(2r,3s,4s,5r,6s)-6-(3,4-dimethoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid

[(2r,3s,4s,5r,6s)-6-(3,4-dimethoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid

C14H20O11S (396.0726)


   

(7r)-7-methyl-6,8-dioxo-3-[(1e)-3-oxoprop-1-en-1-yl]isochromen-7-yl 2,4-dihydroxy-6-methylbenzoate

(7r)-7-methyl-6,8-dioxo-3-[(1e)-3-oxoprop-1-en-1-yl]isochromen-7-yl 2,4-dihydroxy-6-methylbenzoate

C21H16O8 (396.0845)


   

(2s)-2-amino-4-{[(2r)-2-{[(3r)-3-methoxy-2-oxo-1-sulfoazetidin-3-yl]amino}propanoyl]-c-hydroxycarbonimidoyl}butanoic acid

(2s)-2-amino-4-{[(2r)-2-{[(3r)-3-methoxy-2-oxo-1-sulfoazetidin-3-yl]amino}propanoyl]-c-hydroxycarbonimidoyl}butanoic acid

C12H20N4O9S (396.0951)


   

3-[2-(3,4-dihydroxyphenyl)ethenyl]-8,9-dihydroxy-6-methoxy-6h-pyrano[4,3-c]isochromen-1-one

3-[2-(3,4-dihydroxyphenyl)ethenyl]-8,9-dihydroxy-6-methoxy-6h-pyrano[4,3-c]isochromen-1-one

C21H16O8 (396.0845)


   

(2s)-2-amino-4-{[(2s)-2-{[(3r)-3-methoxy-2-oxo-1-sulfoazetidin-3-yl]amino}propanoyl]-c-hydroxycarbonimidoyl}butanoic acid

(2s)-2-amino-4-{[(2s)-2-{[(3r)-3-methoxy-2-oxo-1-sulfoazetidin-3-yl]amino}propanoyl]-c-hydroxycarbonimidoyl}butanoic acid

C12H20N4O9S (396.0951)


   

(2s,6'r)-7-bromo-2',4,6-trimethoxy-6'-methylspiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione

(2s,6'r)-7-bromo-2',4,6-trimethoxy-6'-methylspiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione

C17H17BrO6 (396.0208)


   

3-(acetyloxy)-5-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4-dihydroxycyclohexane-1-carboxylic acid

3-(acetyloxy)-5-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4-dihydroxycyclohexane-1-carboxylic acid

C18H20O10 (396.1056)


   

{3,4,5-trihydroxy-6-[2-hydroxy-5-(2-hydroxyethyl)phenoxy]oxan-2-yl}methoxysulfonic acid

{3,4,5-trihydroxy-6-[2-hydroxy-5-(2-hydroxyethyl)phenoxy]oxan-2-yl}methoxysulfonic acid

C14H20O11S (396.0726)


   

{3,4,5-trihydroxy-6-[(6-methoxy-2-oxochromen-7-yl)oxy]oxan-2-yl}methyl acetate

{3,4,5-trihydroxy-6-[(6-methoxy-2-oxochromen-7-yl)oxy]oxan-2-yl}methyl acetate

C18H20O10 (396.1056)


   

methyl 4-chloro-2-hydroxy-3-[3-hydroxy-2-(methoxycarbonyl)-5-methylphenoxy]-5-methoxybenzoate

methyl 4-chloro-2-hydroxy-3-[3-hydroxy-2-(methoxycarbonyl)-5-methylphenoxy]-5-methoxybenzoate

C18H17ClO8 (396.0612)


   

7-(4-carboxybuta-1,3-dien-1-yl)-2,5,8-trihydroxy-9,10-dioxophenanthrene-3-carboxylic acid

7-(4-carboxybuta-1,3-dien-1-yl)-2,5,8-trihydroxy-9,10-dioxophenanthrene-3-carboxylic acid

C20H12O9 (396.0481)


   

2-[2-chloro-5-hydroxy-6-(methoxycarbonyl)-3-methylphenoxy]-3,5-dimethoxybenzoic acid

2-[2-chloro-5-hydroxy-6-(methoxycarbonyl)-3-methylphenoxy]-3,5-dimethoxybenzoic acid

C18H17ClO8 (396.0612)


   

4-[5,7-bis(acetyloxy)-4-oxochromen-3-yl]phenyl acetate

4-[5,7-bis(acetyloxy)-4-oxochromen-3-yl]phenyl acetate

C21H16O8 (396.0845)


   

methyl 3-chloro-2-hydroxy-6-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoate

methyl 3-chloro-2-hydroxy-6-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoate

C18H17ClO8 (396.0612)


   

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-hydroxy-5-(2-hydroxyethyl)phenoxy]oxan-2-yl]methoxysulfonic acid

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-hydroxy-5-(2-hydroxyethyl)phenoxy]oxan-2-yl]methoxysulfonic acid

C14H20O11S (396.0726)


   

2,3,5,6,7-pentachloropentadec-14-en-4-ol

2,3,5,6,7-pentachloropentadec-14-en-4-ol

C15H25Cl5O (396.0348)


   

16-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8,10,15-pentaen-12-one

16-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8,10,15-pentaen-12-one

C21H16O8 (396.0845)


   

methyl 3-chloro-6-hydroxy-2-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoate

methyl 3-chloro-6-hydroxy-2-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-4-methylbenzoate

C18H17ClO8 (396.0612)


   

methyl 4-chloro-3-hydroxy-2-[3-hydroxy-2-(methoxycarbonyl)-5-methylphenoxy]-5-methoxybenzoate

methyl 4-chloro-3-hydroxy-2-[3-hydroxy-2-(methoxycarbonyl)-5-methylphenoxy]-5-methoxybenzoate

C18H17ClO8 (396.0612)


   

(2r)-2-amino-4-{[(1s)-1-{[(3r)-3-methoxy-2-oxo-1-sulfoazetidin-3-yl]-c-hydroxycarbonimidoyl}ethyl]-c-hydroxycarbonimidoyl}butanoic acid

(2r)-2-amino-4-{[(1s)-1-{[(3r)-3-methoxy-2-oxo-1-sulfoazetidin-3-yl]-c-hydroxycarbonimidoyl}ethyl]-c-hydroxycarbonimidoyl}butanoic acid

C12H20N4O9S (396.0951)


   

13,15-dichloro-6,14-dihydroxy-4,12-dipropyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one

13,15-dichloro-6,14-dihydroxy-4,12-dipropyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one

C19H18Cl2O5 (396.0531)


   

[5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxidanesulfonic acid

[5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxidanesulfonic acid

C16H12O10S (396.0151)


   

(6r)-3-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-8,9-dihydroxy-6-methoxy-6h-pyrano[4,3-c]isochromen-1-one

(6r)-3-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-8,9-dihydroxy-6-methoxy-6h-pyrano[4,3-c]isochromen-1-one

C21H16O8 (396.0845)


   

7-[(1e,3e)-4-carboxybuta-1,3-dien-1-yl]-2,5,8-trihydroxy-9,10-dioxophenanthrene-3-carboxylic acid

7-[(1e,3e)-4-carboxybuta-1,3-dien-1-yl]-2,5,8-trihydroxy-9,10-dioxophenanthrene-3-carboxylic acid

C20H12O9 (396.0481)


   

7-bromo-2',4,6-trimethoxy-6'-methylspiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione

7-bromo-2',4,6-trimethoxy-6'-methylspiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione

C17H17BrO6 (396.0208)


   

(3s,6r)-6-bromo-6-[(2s,5s)-5-bromo-2,6,6-trimethyloxan-2-yl]-3-methylhex-1-en-3-ol

(3s,6r)-6-bromo-6-[(2s,5s)-5-bromo-2,6,6-trimethyloxan-2-yl]-3-methylhex-1-en-3-ol

C15H26Br2O2 (396.0299)


   

5,7-dihydroxy-13-methoxy-3,11,21,22-tetraoxaheptacyclo[10.9.1.1¹,⁶.1¹²,¹⁶.0²,⁴.0¹⁰,²⁴.0²⁰,²³]tetracosa-6(24),7,9,16,18,20(23)-hexaen-15-one

5,7-dihydroxy-13-methoxy-3,11,21,22-tetraoxaheptacyclo[10.9.1.1¹,⁶.1¹²,¹⁶.0²,⁴.0¹⁰,²⁴.0²⁰,²³]tetracosa-6(24),7,9,16,18,20(23)-hexaen-15-one

C21H16O8 (396.0845)


   

6-bromo-6-(5-bromo-2,6,6-trimethyloxan-2-yl)-3-methylhex-1-en-3-ol

6-bromo-6-(5-bromo-2,6,6-trimethyloxan-2-yl)-3-methylhex-1-en-3-ol

C15H26Br2O2 (396.0299)


   

(2r,3s,4r,5s,6s,7r)-2,3,5,6,7-pentachloropentadec-14-en-4-ol

(2r,3s,4r,5s,6s,7r)-2,3,5,6,7-pentachloropentadec-14-en-4-ol

C15H25Cl5O (396.0348)


   

[6-(3,4-dimethoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid

[6-(3,4-dimethoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid

C14H20O11S (396.0726)


   

7-methyl-6,8-dioxo-3-(3-oxoprop-1-en-1-yl)isochromen-7-yl 2,4-dihydroxy-6-methylbenzoate

7-methyl-6,8-dioxo-3-(3-oxoprop-1-en-1-yl)isochromen-7-yl 2,4-dihydroxy-6-methylbenzoate

C21H16O8 (396.0845)


   

3-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-8,9-dihydroxy-6-methoxy-6h-pyrano[4,3-c]isochromen-1-one

3-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-8,9-dihydroxy-6-methoxy-6h-pyrano[4,3-c]isochromen-1-one

C21H16O8 (396.0845)


   

(3s,6s)-6-bromo-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-3-methylhex-1-en-3-ol

(3s,6s)-6-bromo-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-3-methylhex-1-en-3-ol

C15H26Br2O2 (396.0299)


   

5,13-dichloro-14-hydroxy-6-methoxy-7,12,15-trimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-4-carbaldehyde

5,13-dichloro-14-hydroxy-6-methoxy-7,12,15-trimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-4-carbaldehyde

C18H14Cl2O6 (396.0167)


   

(3s,6s)-6-bromo-6-[(5s)-5-bromo-2,6,6-trimethyloxan-2-yl]-3-methylhex-1-en-3-ol

(3s,6s)-6-bromo-6-[(5s)-5-bromo-2,6,6-trimethyloxan-2-yl]-3-methylhex-1-en-3-ol

C15H26Br2O2 (396.0299)


   

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(6-methoxy-2-oxochromen-7-yl)oxy]oxan-2-yl]methyl acetate

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(6-methoxy-2-oxochromen-7-yl)oxy]oxan-2-yl]methyl acetate

C18H20O10 (396.1056)