Exact Mass: 456.10461060000006

Exact Mass Matches: 456.10461060000006

Found 238 metabolites which its exact mass value is equals to given mass value 456.10461060000006, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Flavin mononucleotide

{[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy}phosphonic acid

C17H21N4O9P (456.1046106)


Flavin mononucleotide, also known as riboflavin 5-monophosphate or riboflavine dihydrogen phosphate, is a member of the class of compounds known as flavin nucleotides. Flavin nucleotides are nucleotides containing a flavin moiety. Flavin is a compound that contains the tricyclic isoalloxazine ring system, which bears 2 oxo groups at the 2- and 4-positions. Flavin mononucleotide is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Flavin mononucleotide can be found in a number of food items such as spinach, elliotts blueberry, tea leaf willow, and black mulberry, which makes flavin mononucleotide a potential biomarker for the consumption of these food products. Flavin mononucleotide can be found primarily in blood, as well as throughout most human tissues. Flavin mononucleotide exists in all living species, ranging from bacteria to humans. In humans, flavin mononucleotide is involved in several metabolic pathways, some of which include riboflavin metabolism, pyrimidine metabolism, beta-alanine metabolism, and doxorubicin metabolism pathway. Flavin mononucleotide is also involved in several metabolic disorders, some of which include beta ureidopropionase deficiency, UMP synthase deficiency (orotic aciduria), carnosinuria, carnosinemia, and hypophosphatasia. Moreover, flavin mononucleotide is found to be associated with anorexia nervosa. Flavin mononucleotide (FMN), or riboflavin-5′-phosphate, is a biomolecule produced from riboflavin (vitamin B2) by the enzyme riboflavin kinase and functions as prosthetic group of various oxidoreductases including NADH dehydrogenase as well as cofactor in biological blue-light photo receptors. During the catalytic cycle, a reversible interconversion of the oxidized (FMN), semiquinone (FMNH•) and reduced (FMNH2) forms occurs in the various oxidoreductases. FMN is a stronger oxidizing agent than NAD and is particularly useful because it can take part in both one- and two-electron transfers. In its role as blue-light photo receptor, (oxidized) FMN stands out from the conventional photo receptors as the signaling state and not an E/Z isomerization . Flavin mononucleotide (FMN), or riboflavin-5′-phosphate, is a biomolecule produced from riboflavin (vitamin B2) by the enzyme riboflavin kinase and functions as the prosthetic group of various oxidoreductases, including NADH dehydrogenase, as well as cofactor in biological blue-light photo receptors. During the catalytic cycle, a reversible interconversion of the oxidized (FMN), semiquinone (FMNH), and reduced (FMNH2) forms occurs in the various oxidoreductases. FMN is a stronger oxidizing agent than NAD and is particularly useful because it can take part in both one- and two-electron transfers. In its role as blue-light photo receptor, (oxidized) FMN stands out from the conventional photo receptors as the signaling state and not an E/Z isomerization. It is the principal form in which riboflavin is found in cells and tissues. It requires more energy to produce, but is more soluble than riboflavin. Flavin mononucleotide belongs to the class of organic compounds known as flavin nucleotides. These are nucleotides containing a flavin moiety. Flavin is a compound that contains the tricyclic isoalloxazine ring system, which bears 2 oxo groups at the 2- and 4-positions. Flavin mononucleotide exists in all living species, ranging from bacteria to humans. Within humans, flavin mononucleotide participates in a number of enzymatic reactions. In particular, formic acid and flavin mononucleotide can be biosynthesized from FMNH2; which is catalyzed by the enzyme lanosterol 14-alpha demethylase. In addition, formic acid and flavin mononucleotide can be biosynthesized from FMNH2 through the action of the enzyme lanosterol 14-alpha demethylase. In humans, flavin mononucleotide is involved in bloch pathway (cholesterol biosynthesis). Outside of the human body, flavin mononucleotide has been detected, but not quantified in several different foods, such as mandarin orange (clementine, tangerine), horseradish tree, black elderberries, angelica, and ostrich ferns. Acquisition and generation of the data is financially supported in part by CREST/JST. D018977 - Micronutrients > D014815 - Vitamins

   

stegnacin

(-)-Steganacin

C24H24O9 (456.14202539999997)


   

Epicatechin 3-O-(4-methylgallate)

(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,5-dihydroxy-4-methoxybenzoate

C23H20O10 (456.105642)


Epicatechin 3-(4-methylgallate) is a member of the class of compounds known as catechin gallates. Catechin gallates are organic compounds containing a gallate moiety glycosidically linked to a catechin. Thus, epicatechin 3-(4-methylgallate) is considered to be a flavonoid lipid molecule. Epicatechin 3-(4-methylgallate) is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Epicatechin 3-(4-methylgallate) can be found in tea, which makes epicatechin 3-(4-methylgallate) a potential biomarker for the consumption of this food product. Epicatechin 3-O-(4-methylgallate) is found in tea. Epicatechin 3-O-(4-methylgallate) is isolated from Camellia sinensis var. assamica (commercial oolong tea).

   

Epicatechin 3-O-(3-O-methylgallate)

(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4-dihydroxy-5-methoxybenzoate

C23H20O10 (456.105642)


Epicatechin 3-O-(3-O-methylgallate) is found in tea. Epicatechin 3-O-(3-O-methylgallate) is isolated from green China tea (Camellia sinensis) leaves. Isolated from green China tea (Camellia sinensis) leaves. Epicatechin 3-(3-methylgallate) is found in tea.

   

5-S-Glutathionyl-aminochrome reduced

(2R)-2-amino-4-{[(1R)-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(5,6-dihydroxy-2,3-dihydro-1H-indol-4-yl)sulfanyl]ethyl]-C-hydroxycarbonimidoyl}butanoic acid

C18H24N4O8S (456.1314784)


This compound belongs to the family of Peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.

   

3-(Glutathion-S-yl)acetaminophen

2-Amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-({2-hydroxy-5-[(1-hydroxyethylidene)amino]phenyl}sulphanyl)ethyl}-C-hydroxycarbonimidoyl)butanoic acid

C18H24N4O8S (456.1314784)


   

Azilsartan

2-ethoxy-1-{[2-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1-biphenyl]-4-yl]methyl}-1H-1,3-benzodiazole-7-carboxylic acid

C25H20N4O5 (456.143363)


   

Dilmapimod

8-(2,6-difluorophenyl)-2-[(1,3-dihydroxypropan-2-yl)amino]-4-(4-fluoro-2-methylphenyl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one

C23H19F3N4O3 (456.14091800000006)


C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2149 - Mitogen-Activated Protein Kinase Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor

   

15-Demethyl plumieride

Methyl 4-(hydroxymethyl)-5-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,7a-dihydro-1H,5H-spiro[cyclopenta[c]pyran-7,2-furan]-4-carboxylic acid

C20H24O12 (456.1267704)


   

Lemildipine

{[4-(2,3-dichlorophenyl)-5-(methoxycarbonyl)-6-methyl-3-[(propan-2-yloxy)carbonyl]-1,4-dihydropyridin-2-yl]methoxy}carboximidic acid

C20H22Cl2N2O6 (456.0854852)


C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker

   

(S)-(+)-Tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate

tert-butyl 2-[7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate

C23H25ClN4O2S (456.138666)


   

Xanthopappin C

Xanthopappin C

C27H20O3S2 (456.08538100000004)


   

11,5-Dihydroxy-2,3,4-trimethoxy-6,6-dimethyl-4,5-dihydropyrano[2,3:9,8]-6a,12a-didehydrorotenone

11,5-Dihydroxy-2,3,4-trimethoxy-6,6-dimethyl-4,5-dihydropyrano[2,3:9,8]-6a,12a-didehydrorotenone

C24H24O9 (456.14202539999997)


   

Pinnatifinoside D

Pinnatifinoside D

C23H20O10 (456.105642)


   

Erlangerin B

Erlangerin B

C24H24O9 (456.14202539999997)


   

Erlangerin C

Erlangerin C

C24H24O9 (456.14202539999997)


   

Bazzanin A

Bazzanin A

C28H21ClO4 (456.11282960000005)


   

Parguerol

Parguerol

C22H33BrO5 (456.15112280000005)


   

tjipanazole B

tjipanazole B

C23H18Cl2N2O4 (456.0643568)


   

3,5,7-Tris(acetyloxy)-8-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one

3,5,7-Tris (acetyloxy) -8-methoxy-2- (4-methoxyphenyl) -4H-1-benzopyran-4-one

C23H20O10 (456.105642)


   

mulberrofuran R

mulberrofuran R

C27H20O7 (456.120897)


   

Epigallocatechin 3-O-vanillate

(2R,3R) -3,5,7,3,4,5-Hexahydroxyflavan 3-O-vanillate

C23H20O10 (456.105642)


   

Epicatechin 3-O-(4-O-methylgallate)

(2R,3R) -3,5,7,3,4-Pentahydroxyflavan 3-O- (4-O-methylgallate)

C23H20O10 (456.105642)


   

WIN 54,461

WIN 54,461

C23H25BrN2O3 (456.10484399999996)


   

Maybridge1_001051

Maybridge1_001051

C19H16ClF3N4O4 (456.08121220000004)


   

ZINC1030365

ZINC1030365

C19H16F4N4O3S (456.08791940000003)


   

Maybridge1_008223

Maybridge1_008223

C20H20ClF3N4O3 (456.1175956000001)


   

6-O-[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]-1-O-[(2E)-3-phenyl-2-propenoyl]-β-D-glucopyranose

6-O-[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]-1-O-[(2E)-3-phenyl-2-propenoyl]-β-D-glucopyranose

C24H24O9 (456.14202539999997)


   

11-(2-bromo-3,6-dimethoxyphenyl)-3,3-dimethyl-2,3,4-trihydro-5H,10H,11H-benzo[ b]benzo[2,1-f]1,4-diazepin-1-one

11-(2-bromo-3,6-dimethoxyphenyl)-3,3-dimethyl-2,3,4-trihydro-5H,10H,11H-benzo[ b]benzo[2,1-f]1,4-diazepin-1-one

C23H25BrN2O3 (456.10484399999996)


relative retention time with respect to 9-anthracene Carboxylic Acid is 1.125 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.123 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.128 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.127

   

FT-0776105

FT-0776105

C20H24O12 (456.1267704)


   

Acetylepipodophyllotoxin

Acetylepipodophyllotoxin

C24H24O9 (456.14202539999997)


   

MMV688416

MMV688416

C23H25ClN4O2S (456.138666)


   

5-epi-bromo-Z-punagladin-3

5-epi-bromo-Z-punagladin-3

C21H29BrO6 (456.1147394)


   

EPIGALLOCATECHIN 3-O-GALLATE

EPIGALLOCATECHIN 3-O-GALLATE

C22H16O11 (456.0692586)


   

3,4-ethylenedioxy-5-hydroxy-3-(1-hydroxy-1-methylethyl)-6,7-dimethyl-5-methoxyflavone-8-carboxylic acid

3,4-ethylenedioxy-5-hydroxy-3-(1-hydroxy-1-methylethyl)-6,7-dimethyl-5-methoxyflavone-8-carboxylic acid

C24H24O9 (456.14202539999997)


   

isoapiosylskimmine

isoapiosylskimmine

C20H24O12 (456.1267704)


   

Pholyoside II

Pholyoside II

C17H25ClO12 (456.103448)


   

4-(beta-D-glucopyranosyloxy)-6-methyl-2H-pyran-2-one tetraacetate

4-(beta-D-glucopyranosyloxy)-6-methyl-2H-pyran-2-one tetraacetate

C20H24O12 (456.1267704)


   

10-Hydroxy,aglycone-Sulfurmycin A

10-Hydroxy,aglycone-Sulfurmycin A

C23H20O10 (456.105642)


   

Tri-Ac-4,5,7-Trihydroxy-3,3-dimethoxyflavone

Tri-Ac-4,5,7-Trihydroxy-3,3-dimethoxyflavone

C23H20O10 (456.105642)


   

4,5,7-Triacetoxy-3,6-dimethoxy-flavon (synth. Jaceosidin-triacetat)|5,7,4-Triacetoxy-3,6-dimethoxy-flavon|5,7,4-Triacetoxy-6,3-dimethoxy-flavon|5,7-diacetoxy-2-(4-acetoxy-3-methoxy-phenyl)-6-methoxy-chromen-4-one|Jaceosidin-acetat|Jaceosidin-triacetat

4,5,7-Triacetoxy-3,6-dimethoxy-flavon (synth. Jaceosidin-triacetat)|5,7,4-Triacetoxy-3,6-dimethoxy-flavon|5,7,4-Triacetoxy-6,3-dimethoxy-flavon|5,7-diacetoxy-2-(4-acetoxy-3-methoxy-phenyl)-6-methoxy-chromen-4-one|Jaceosidin-acetat|Jaceosidin-triacetat

C23H20O10 (456.105642)


   

ellagic acid 4-O-beta-D-xylopyranoside-3,3-dimethyl ether

ellagic acid 4-O-beta-D-xylopyranoside-3,3-dimethyl ether

C24H24O9 (456.14202539999997)


   

O-[beta-D-xylopyranosyl(1->6)-beta-D-glucopyranosyl] 7-hydroxycoumarin|umbelliferone 7-O-beta-D-xylopyranosyl (1->6) beta-D-glucopyranoside

O-[beta-D-xylopyranosyl(1->6)-beta-D-glucopyranosyl] 7-hydroxycoumarin|umbelliferone 7-O-beta-D-xylopyranosyl (1->6) beta-D-glucopyranoside

C20H24O12 (456.1267704)


   

4-O-methyl-(-)-epigallocatechin

4-O-methyl-(-)-epigallocatechin

C23H20O10 (456.105642)


   

Eriodictyol tetraacetate

Eriodictyol tetraacetate

C23H20O10 (456.105642)


   

7-[(3-methyl-but-2-en-yl)oxy]-5-hydroxy-3,6,8-trimethoxy-3,4-methylenedioxyflavone|7-[(3-methyl-but-2-enyl)oxy]-5-hydroxy-3,6,8-trimethoxy-3,4-methylenedioxyflavone

7-[(3-methyl-but-2-en-yl)oxy]-5-hydroxy-3,6,8-trimethoxy-3,4-methylenedioxyflavone|7-[(3-methyl-but-2-enyl)oxy]-5-hydroxy-3,6,8-trimethoxy-3,4-methylenedioxyflavone

C24H24O9 (456.14202539999997)


   

(-)-epicatechin gallate-4-O-Me|4-O-methyl-(-)-epicatechin gallate|4-O-methylepicatechin-3-O-gallate

(-)-epicatechin gallate-4-O-Me|4-O-methyl-(-)-epicatechin gallate|4-O-methylepicatechin-3-O-gallate

C23H20O10 (456.105642)


   

tryptoquivaline K

tryptoquivaline K

C25H20N4O5 (456.143363)


   

C16H24O13S

C16H24O13S (456.0937574)


   

poliothrysin

poliothrysin

C20H24O12 (456.1267704)


   

2-(1,3-Benzodioxole-5-yl)-3,5,8-trimethoxy-7-(2-hydroxy-3-methyl-3-butenyloxy)-4H-1-benzopyran-4-one

2-(1,3-Benzodioxole-5-yl)-3,5,8-trimethoxy-7-(2-hydroxy-3-methyl-3-butenyloxy)-4H-1-benzopyran-4-one

C24H24O9 (456.14202539999997)


   

4,6-Dimethoxy-3,5,7-tri-O-acetyl-flavon|5,7-diacetoxy-2-(3-acetoxy-4-methoxy-phenyl)-6-methoxy-chromen-4-one|Tri-Ac-3,5,7-Trihydroxy-4,6-dimethoxyflavone

4,6-Dimethoxy-3,5,7-tri-O-acetyl-flavon|5,7-diacetoxy-2-(3-acetoxy-4-methoxy-phenyl)-6-methoxy-chromen-4-one|Tri-Ac-3,5,7-Trihydroxy-4,6-dimethoxyflavone

C23H20O10 (456.105642)


   

1,4-Diacetoxy-10-methoxy-5,8,11-trimethyl-1H-benzo[5,6][1,4]dioxepino[3,2-e]isobenzofuran-3,7-dion|1,4-diacetoxy-10-methoxy-5,8,11-trimethyl-1H-benzo[5,6][1,4]dioxepino[3,2-e]isobenzofuran-3,7-dione|hypostictic acid-diacetate

1,4-Diacetoxy-10-methoxy-5,8,11-trimethyl-1H-benzo[5,6][1,4]dioxepino[3,2-e]isobenzofuran-3,7-dion|1,4-diacetoxy-10-methoxy-5,8,11-trimethyl-1H-benzo[5,6][1,4]dioxepino[3,2-e]isobenzofuran-3,7-dione|hypostictic acid-diacetate

C23H20O10 (456.105642)


   

epicoccin L

epicoccin L

C20H28N2O6S2 (456.1388708)


   

Pinnatifin I

Pinnatifin I

C23H20O10 (456.105642)


   

(-)-Epicatechin-3-(3-O-methylgallate)

(-)-Epicatechin-3-(3-O-methylgallate)

C23H20O10 (456.105642)


   

C24H24O9

C24H24O9 (456.14202539999997)


   

SCHEMBL12032497

SCHEMBL12032497

C20H24O12 (456.1267704)


   

2-acetyl-1-coumaroyl-3-feruloylglycerol|2-acetyl-1-[(E)-p-coumaroyl]-3-[(E)-feruloyl]glycerol

2-acetyl-1-coumaroyl-3-feruloylglycerol|2-acetyl-1-[(E)-p-coumaroyl]-3-[(E)-feruloyl]glycerol

C24H24O9 (456.14202539999997)


   

Isoparguerol

Isoparguerol

C22H33BrO5 (456.15112280000005)


   

1-O-cinnamoyl-6-O-p-coumaroyl-beta-D-glucopyranoside

1-O-cinnamoyl-6-O-p-coumaroyl-beta-D-glucopyranoside

C24H24O9 (456.14202539999997)


   

Neurodazine

2-[5-(3-chlorophenyl)-2-furanyl]-4,5-bis(4-methoxyphenyl)-1H-imidazole

C27H21ClN2O3 (456.1240626)


   

Riboflavine 5-phosphate

Riboflavine 5-phosphate

C17H21N4O9P (456.10461060000006)


   

(E)-1-(glutathion-S-yl)-N-hydroxy-2-(4-hydroxyphenyl)ethan-1-imine

(E)-1-(glutathion-S-yl)-N-hydroxy-2-(4-hydroxyphenyl)ethan-1-imine

C18H24N4O8S (456.1314784)


   

adicardin

7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxychromen-2-one

C20H24O12 (456.1267704)


Apiosylskimmin is a natural product found in Gmelina arborea, Angelica pubescens, and other organisms with data available.

   

Azilsartan (TAK-536)

Azilsartan (TAK-536)

C25H20N4O5 (456.143363)


   

Riboflavine phosphate

Riboflavin-5′-monophosphate sodium salt hydrate

C17H21N4O9P (456.10461060000006)


   

7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxychromen-2-one

NCGC00380504-01!7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxychromen-2-one

C20H24O12 (456.1267704)


   

7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-one

NCGC00385203-01!7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-one

C20H24O12 (456.1267704)


   

NCGC00180175-03!

NCGC00180175-03!

C24H24O9 (456.14202539999997)


   

C24H24O9_6-O-[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]-1-O-[(2E)-3-phenyl-2-propenoyl]-beta-D-glucopyranose

NCGC00385169-01_C24H24O9_6-O-[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]-1-O-[(2E)-3-phenyl-2-propenoyl]-beta-D-glucopyranose

C24H24O9 (456.14202539999997)


   

Apiosylskimmin

Apiosylskimmin

C20H24O12 (456.1267704)


   

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] (E)-3-phenylprop-2-enoate

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] (E)-3-phenylprop-2-enoate

C24H24O9 (456.14202539999997)


   

Podophyllin Acetate

Podophyllin Acetate

C24H24O9 (456.14202539999997)


   

steganacin

(-)-Steganacin

C24H24O9 (456.14202539999997)


   

Flavin mononucleotide

Flavin mononucleotide

C17H21N4O9P (456.10461060000006)


A flavin mononucleotide that is riboflavin (vitamin B2) in which the primary hydroxy group has been converted to its dihydrogen phosphate ester. D018977 - Micronutrients > D014815 - Vitamins

   

MMV688416

MMV688416

C23H25N4O2ClS (456.138666)


   

7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxychromen-2-one [IIN-based on: CCMSLIB00000845708]

NCGC00380504-01!7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxychromen-2-one [IIN-based on: CCMSLIB00000845708]

C20H24O12 (456.1267704)


   

7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxychromen-2-one [IIN-based: Match]

NCGC00380504-01!7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxychromen-2-one [IIN-based: Match]

C20H24O12 (456.1267704)


   

Benzanilide, 2,2-dithiobis-

2,2-Dibenzoylaminodiphenyl disulfide

C26H20N2O2S2 (456.096614)


CONFIDENCE standard compound; INTERNAL_ID 681; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5297; ORIGINAL_PRECURSOR_SCAN_NO 5295 CONFIDENCE standard compound; INTERNAL_ID 681; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5312; ORIGINAL_PRECURSOR_SCAN_NO 5310 CONFIDENCE standard compound; INTERNAL_ID 681; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5270; ORIGINAL_PRECURSOR_SCAN_NO 5265 CONFIDENCE standard compound; INTERNAL_ID 681; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5309; ORIGINAL_PRECURSOR_SCAN_NO 5307 CONFIDENCE standard compound; INTERNAL_ID 681; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5302; ORIGINAL_PRECURSOR_SCAN_NO 5298 CONFIDENCE standard compound; INTERNAL_ID 681; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5305; ORIGINAL_PRECURSOR_SCAN_NO 5304 CONFIDENCE standard compound; INTERNAL_ID 681; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7946; ORIGINAL_PRECURSOR_SCAN_NO 7945 CONFIDENCE standard compound; INTERNAL_ID 681; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7977; ORIGINAL_PRECURSOR_SCAN_NO 7975 CONFIDENCE standard compound; INTERNAL_ID 681; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7986; ORIGINAL_PRECURSOR_SCAN_NO 7982 CONFIDENCE standard compound; INTERNAL_ID 681; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8027; ORIGINAL_PRECURSOR_SCAN_NO 8025 CONFIDENCE standard compound; INTERNAL_ID 681; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8030; ORIGINAL_PRECURSOR_SCAN_NO 8028

   

steganacin_major

steganacin_major

C24H24O9 (456.14202539999997)


   

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] (E)-3-phenylprop-2-enoate_major

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] (E)-3-phenylprop-2-enoate_major

C24H24O9 (456.14202539999997)


   

Podophyllin Acetate_major

Podophyllin Acetate_major

C24H24O9 (456.14202539999997)


   

Riboflavin 5-monophosphate_major

Riboflavin 5-monophosphate_major

C17H21N4O9P (456.10461060000006)


   

Cys Cys Cys Glu

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

C14H24N4O7S3 (456.0807074)


   

Cys Cys Glu Cys

(4S)-4-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C14H24N4O7S3 (456.0807074)


   

Cys Cys Met Thr

(2S,3R)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanoic acid

C15H28N4O6S3 (456.1170908)


   

Cys Cys Thr Met

(2S)-2-[(2S,3R)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanoic acid

C15H28N4O6S3 (456.1170908)


   

Cys Asp Gly Tyr

(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-3-[({[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}methyl)carbamoyl]propanoic acid

C18H24N4O8S (456.1314784)


   

Cys Asp Tyr Gly

(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-3-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C18H24N4O8S (456.1314784)


   

Cys Glu Cys Cys

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C14H24N4O7S3 (456.0807074)


   

Cys Phe Gly Met

(2S)-2-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]acetamido}-4-(methylsulfanyl)butanoic acid

C19H28N4O5S2 (456.1501038)


   

Cys Phe Met Gly

2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]acetic acid

C19H28N4O5S2 (456.1501038)


   

Cys Gly Asp Tyr

(3S)-3-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C18H24N4O8S (456.1314784)


   

Cys Gly Phe Met

(2S)-2-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid

C19H28N4O5S2 (456.1501038)


   

Cys Gly Met Phe

(2S)-2-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-4-(methylsulfanyl)butanamido]-3-phenylpropanoic acid

C19H28N4O5S2 (456.1501038)


   

Cys Gly Tyr Asp

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

C18H24N4O8S (456.1314784)


   

Cys Met Cys Thr

(2S,3R)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-hydroxybutanoic acid

C15H28N4O6S3 (456.1170908)


   

Cys Met Phe Gly

2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]acetic acid

C19H28N4O5S2 (456.1501038)


   

Cys Met Gly Phe

(2S)-2-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]acetamido}-3-phenylpropanoic acid

C19H28N4O5S2 (456.1501038)


   

Cys Met Thr Cys

(2R)-2-[(2S,3R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-sulfanylpropanoic acid

C15H28N4O6S3 (456.1170908)


   

Cys Thr Cys Met

(2S)-2-[(2R)-2-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C15H28N4O6S3 (456.1170908)


   

Cys Thr Met Cys

(2R)-2-[(2S)-2-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C15H28N4O6S3 (456.1170908)


   

Cys Tyr Asp Gly

(3S)-3-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-[(carboxymethyl)carbamoyl]propanoic acid

C18H24N4O8S (456.1314784)


   

Cys Tyr Gly Asp

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

C18H24N4O8S (456.1314784)


   

Asp Cys Gly Tyr

(3S)-3-amino-3-{[(1R)-1-[({[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}methyl)carbamoyl]-2-sulfanylethyl]carbamoyl}propanoic acid

C18H24N4O8S (456.1314784)


   

Asp Cys Tyr Gly

(3S)-3-amino-3-{[(1R)-1-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

C18H24N4O8S (456.1314784)


   

Asp Gly Cys Tyr

(3S)-3-amino-3-[({[(1R)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}methyl)carbamoyl]propanoic acid

C18H24N4O8S (456.1314784)


   

Asp Gly Tyr Cys

(3S)-3-amino-3-[({[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}methyl)carbamoyl]propanoic acid

C18H24N4O8S (456.1314784)


   

Asp Tyr Cys Gly

(3S)-3-amino-3-{[(1S)-1-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C18H24N4O8S (456.1314784)


   

Asp Tyr Gly Cys

(3S)-3-amino-3-{[(1S)-1-[({[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}methyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C18H24N4O8S (456.1314784)


   

Glu Cys Cys Cys

(4S)-4-amino-4-{[(1R)-1-{[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C14H24N4O7S3 (456.0807074)


   

Phe Cys Gly Met

(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]acetamido}-4-(methylsulfanyl)butanoic acid

C19H28N4O5S2 (456.1501038)


   

Phe Cys Met Gly

2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]acetic acid

C19H28N4O5S2 (456.1501038)


   

Phe Gly Cys Met

(2S)-2-[(2R)-2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C19H28N4O5S2 (456.1501038)


   

Phe Gly Met Cys

(2R)-2-[(2S)-2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C19H28N4O5S2 (456.1501038)


   

Phe Met Cys Gly

2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]acetic acid

C19H28N4O5S2 (456.1501038)


   

Phe Met Gly Cys

(2R)-2-{2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]acetamido}-3-sulfanylpropanoic acid

C19H28N4O5S2 (456.1501038)


   

Gly Cys Asp Tyr

(3S)-3-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C18H24N4O8S (456.1314784)


   

Gly Cys Phe Met

(2S)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid

C19H28N4O5S2 (456.1501038)


   

Gly Cys Met Phe

(2S)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanoic acid

C19H28N4O5S2 (456.1501038)


   

Gly Cys Tyr Asp

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

C18H24N4O8S (456.1314784)


   

Gly Asp Cys Tyr

(3S)-3-(2-aminoacetamido)-3-{[(1R)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid

C18H24N4O8S (456.1314784)


   

Gly Asp Tyr Cys

(3S)-3-(2-aminoacetamido)-3-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}propanoic acid

C18H24N4O8S (456.1314784)


   

Gly Phe Cys Met

(2S)-2-[(2R)-2-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C19H28N4O5S2 (456.1501038)


   

Gly Phe Met Cys

(2R)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C19H28N4O5S2 (456.1501038)


   

Gly Met Cys Phe

(2S)-2-[(2R)-2-[(2S)-2-(2-aminoacetamido)-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-phenylpropanoic acid

C19H28N4O5S2 (456.1501038)


   

Gly Met Phe Cys

(2R)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-sulfanylpropanoic acid

C19H28N4O5S2 (456.1501038)


   

Gly Tyr Cys Asp

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

C18H24N4O8S (456.1314784)


   

Gly Tyr Asp Cys

(3S)-3-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid

C18H24N4O8S (456.1314784)


   

Met Cys Cys Thr

(2S,3R)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxybutanoic acid

C15H28N4O6S3 (456.1170908)


   

Met Cys Phe Gly

2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]acetic acid

C19H28N4O5S2 (456.1501038)


   

Met Cys Gly Phe

(2S)-2-{2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]acetamido}-3-phenylpropanoic acid

C19H28N4O5S2 (456.1501038)


   

Met Cys Thr Cys

(2R)-2-[(2S,3R)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-sulfanylpropanoic acid

C15H28N4O6S3 (456.1170908)


   

Met Phe Cys Gly

2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]acetic acid

C19H28N4O5S2 (456.1501038)


   

Met Phe Gly Cys

(2R)-2-{2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]acetamido}-3-sulfanylpropanoic acid

C19H28N4O5S2 (456.1501038)


   

Met Gly Cys Phe

(2S)-2-[(2R)-2-{2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]acetamido}-3-sulfanylpropanamido]-3-phenylpropanoic acid

C19H28N4O5S2 (456.1501038)


   

Met Gly Phe Cys

(2R)-2-[(2S)-2-{2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]acetamido}-3-phenylpropanamido]-3-sulfanylpropanoic acid

C19H28N4O5S2 (456.1501038)


   

Met Thr Cys Cys

(2R)-2-[(2R)-2-[(2S,3R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C15H28N4O6S3 (456.1170908)


   

Thr Cys Cys Met

(2S)-2-[(2R)-2-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C15H28N4O6S3 (456.1170908)


   

Thr Cys Met Cys

(2R)-2-[(2S)-2-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C15H28N4O6S3 (456.1170908)


   

Thr Met Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C15H28N4O6S3 (456.1170908)


   

Tyr Cys Asp Gly

(3S)-3-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-[(carboxymethyl)carbamoyl]propanoic acid

C18H24N4O8S (456.1314784)


   

Tyr Cys Gly Asp

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

C18H24N4O8S (456.1314784)


   

Tyr Asp Cys Gly

(3S)-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl]carbamoyl}propanoic acid

C18H24N4O8S (456.1314784)


   

Tyr Asp Gly Cys

(3S)-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-[({[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}methyl)carbamoyl]propanoic acid

C18H24N4O8S (456.1314784)


   

Tyr Gly Cys Asp

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

C18H24N4O8S (456.1314784)


   

Tyr Gly Asp Cys

(3S)-3-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid

C18H24N4O8S (456.1314784)


   

PICROPODOPHYLLOTOXIN ACETATE

PICROPODOPHYLLOTOXIN ACETATE

C24H24O9 (456.14202539999997)


   

PODOPHYLLOTOXIN ACETATE

PODOPHYLLOTOXIN ACETATE

C24H24O9 (456.14202539999997)


   

2-ETHOXYCARBONYL-2-ETHOXYOXALOYLOXYDIHYDROCHRYSIN DIMETHYL ETHER

2-ETHOXYCARBONYL-2-ETHOXYOXALOYLOXYDIHYDROCHRYSIN DIMETHYL ETHER

C24H24O9 (456.14202539999997)


   

CAY10561

N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H-pyrrole-2-carboxamide

C22H15Cl2FN4O2 (456.05560419999995)


   

Epicatechin 3-O-(3-O-methylgallate)

Epicatechin 3-O-(3-O-methylgallate)

C23H20O10 (456.105642)


   

3-O-(4-Methylgalloyl)epicatechin

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,5-dihydroxy-4-methoxybenzoate

C23H20O10 (456.105642)


   

KN-92

KN-92

C24H25ClN2O3S (456.127433)


   

(-)-ecg-3-o-me

epicatechin 3-O-(3-O-methylgallate)

C23H20O10 (456.105642)


A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epicatechin.

   

Vat Violet 10

Vat Violet 10

C34H16O2 (456.1150236)


   

2-((4-(METHYLTHIO)PHENYL)AMINO)-1-(2-(TRIFLUOROMETHYL)BENZYL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDE

2-((4-(METHYLTHIO)PHENYL)AMINO)-1-(2-(TRIFLUOROMETHYL)BENZYL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDE

C23H19F3N4OS (456.12316000000004)


   

15-DeMethylpluMieride

15-DeMethylpluMieride

C20H24O12 (456.1267704)


   

Methyl 5-acetamido-7,8,9-O-triacetyl-2,6-anhydro-4-azido-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonate

Methyl 5-acetamido-7,8,9-O-triacetyl-2,6-anhydro-4-azido-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonate

C18H24N4O10 (456.14923639999995)


   

(tert-Butoxycarbonylmethyl)triphenylphosphanium bromide

(tert-Butoxycarbonylmethyl)triphenylphosphanium bromide

C24H26BrO2P (456.08536860000004)


   

3,5-Bis(benzoyl)-1-methanesulfonyloxy-2-deoxy-2,2-difluororibose

3,5-Bis(benzoyl)-1-methanesulfonyloxy-2-deoxy-2,2-difluororibose

C20H18F2O8S (456.06904119999996)


   

Violanthrone

Violanthrone

C34H16O2 (456.1150236)


   

EGNHS

EGNHS

C18H20N2O12 (456.10162)


   

Sivelestat Sodium

Sivelestat Sodium

C20H21N2NaO7S (456.09671160000005)


   

Ammonium aluminum disulfate dodecahydrate

Ammonium aluminum disulfate dodecahydrate

AlH31NO20S2 (456.0696216)


   

BRAF inhibitor

BRAF inhibitor

C22H18F2N4O3S (456.10676219999993)


BRAF inhibitor is a B-Raf inhibitor extracted from patent WO/2011103196 A1, Compound P-0850.

   

2-Deoxy-2,2-difluoro-D-ribofuranose-3,5-dibenzoate-1-methanesulfonate

2-Deoxy-2,2-difluoro-D-ribofuranose-3,5-dibenzoate-1-methanesulfonate

C20H18F2O8S (456.06904119999996)


   

(+)-JQ-1

(S)-(+)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-6-yl)acetate

C23H25ClN4O2S (456.138666)


   

(-)-JQ-1

(R)-(-)-JQ1 Enantiomer

C23H25ClN4O2S (456.138666)


   

Azilsartan

Azilsartan

C25H20N4O5 (456.143363)


C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C66930 - Angiotensin II Receptor Antagonist COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Azilsartan (TAK-536) is an orally active, potent, selective and specific angiotensin II type 1 receptor (AT1) antagonist. Azilsartan induces ROS formation and apoptosis in HepG2 cells. Azilsartan shows neuroprotective and anticancer activity. Azilsartan can be used for hypertension and stroke research[1][2][3][4][5].

   

Poly(oxy-1,2-ethanediyl), .alpha.-tridecyl-.omega.-hydroxy-, phosphate, potassium salt

Poly(oxy-1,2-ethanediyl), .alpha.-tridecyl-.omega.-hydroxy-, phosphate, potassium salt

C15H32K3O6P (456.0847642)


   

Phosphonium,(4-ethoxy-4-oxobutyl)triphenyl-, bromide (1:1)

Phosphonium,(4-ethoxy-4-oxobutyl)triphenyl-, bromide (1:1)

C24H26BrO2P (456.08536860000004)


   

2-Deoxy-2,2-difluoro-D-erythro-pentofuranose-3,5-dibenzoate-1-methanesulfonate

2-Deoxy-2,2-difluoro-D-erythro-pentofuranose-3,5-dibenzoate-1-methanesulfonate

C20H18F2O8S (456.06904119999996)


   

(5-Carboxypentyl) triphenyl phosphonium bromide

(5-Carboxypentyl) triphenyl phosphonium bromide

C24H26BrO2P (456.08536860000004)


   

2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium bromide

2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium bromide

C24H26BrO2P (456.08536860000004)


   

Yoshimulactone Green (YLG)

Yoshimulactone Green (YLG)

C27H20O7 (456.120897)


   

BGB-102

BGB-102

C22H25BrN4O2 (456.11607699999996)


   

2-AMINO-3,6-DICHLOROBENZOICACID

2-AMINO-3,6-DICHLOROBENZOICACID

C24H26BrO2P (456.08536860000004)


   

LEAD TRIPHENYL HYDROXIDE

LEAD TRIPHENYL HYDROXIDE

C18H16OPb (456.09674959999995)


   

Macozinone

Macozinone

C20H23F3N4O3S (456.14428840000005)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent

   

2-Deoxy-3,4-Bis-O-[3-(4-Hydroxyphenyl)propanoyl]-L-Threo-Pentaric Acid

2-Deoxy-3,4-Bis-O-[3-(4-Hydroxyphenyl)propanoyl]-L-Threo-Pentaric Acid

C23H20O10 (456.105642)


   

Flavin mononucleotide semiquinone

Flavin mononucleotide semiquinone

C17H21N4O9P (456.10461060000006)


   

(S)-(+)-Tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate

(S)-(+)-Tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate

C23H25ClN4O2S (456.138666)


   

3-(Glutathion-S-yl)acetaminophen

3-(Glutathion-S-yl)acetaminophen

C18H24N4O8S (456.1314784)


   

2-benzyl-3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one

2-benzyl-3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one

C25H17ClN4O3 (456.0989122)


   

Riboflavine 5-(dihydrogen phosphate)

Riboflavine 5-(dihydrogen phosphate)

C17H21N4O9P (456.10461060000006)


   

5-(3-Morpholin-4-YL-propyl)-2-(3-nitro-phenyl)-4-thioxo-4,5-dihydro-1-thia-3B,5-diaza-cyclopenta[A]pentalen-6-one

5-(3-Morpholin-4-YL-propyl)-2-(3-nitro-phenyl)-4-thioxo-4,5-dihydro-1-thia-3B,5-diaza-cyclopenta[A]pentalen-6-one

C21H20N4O4S2 (456.092592)


   

Dilmapimod

Dilmapimod

C23H19F3N4O3 (456.14091800000006)


C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2149 - Mitogen-Activated Protein Kinase Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor

   

Lemildipine

Lemildipine

C20H22Cl2N2O6 (456.0854852)


C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker

   

6-(2-bromo-3,6-dimethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

6-(2-bromo-3,6-dimethoxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

C23H25BrN2O3 (456.10484399999996)


   

Tert-butyl 4-[4-[5-(4-chlorophenyl)thiophen-2-yl]pyrimidin-2-yl]piperazine-1-carboxylate

Tert-butyl 4-[4-[5-(4-chlorophenyl)thiophen-2-yl]pyrimidin-2-yl]piperazine-1-carboxylate

C23H25ClN4O2S (456.138666)


   

reduced FMN dianion

reduced FMN dianion

C17H21N4O9P-2 (456.10461060000006)


   

(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(Z)-N-hydroxy-C-[(4-hydroxyphenyl)methyl]carbonimidoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(Z)-N-hydroxy-C-[(4-hydroxyphenyl)methyl]carbonimidoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

C18H24N4O8S (456.1314784)


   

methyl 4-(hydroxymethyl)-5-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2-furan]-4-carboxylate

methyl 4-(hydroxymethyl)-5-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2-furan]-4-carboxylate

C20H24O12 (456.1267704)


   

(-)-Steganacin

(-)-Steganacin

C24H24O9 (456.14202539999997)


   

4-o-Methylepicatechin-3-o-gallate

4-o-Methylepicatechin-3-o-gallate

C23H20O10 (456.105642)


A natural product found in Parapiptadenia rigida.

   

Glucosamine sulfate

Glucosamine sulfate

C12H28N2O14S (456.12611880000003)


   

1-Benzothiophene-3-carboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

1-Benzothiophene-3-carboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

C25H16N2O3S2 (456.0602306)


   

1-O-Cinnamoyl-6-O-p-coumaroyl-b-D-glucopyranose

1-O-Cinnamoyl-6-O-p-coumaroyl-b-D-glucopyranose

C24H24O9 (456.14202539999997)


   

N-[4-[[2-(4-hydroxyphenyl)-1,3-dioxo-5-isoindolyl]oxy]phenyl]-2-thiophenecarboxamide

N-[4-[[2-(4-hydroxyphenyl)-1,3-dioxo-5-isoindolyl]oxy]phenyl]-2-thiophenecarboxamide

C25H16N2O5S (456.0779886)


   

5,12-Bis(4-hydroxyphenyl)-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone

5,12-Bis(4-hydroxyphenyl)-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone

C26H20N2O6 (456.13213)


   

6-[4-Oxo-2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-thieno[3,2-d]pyrimidinyl]hexanoic acid

6-[4-Oxo-2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-thieno[3,2-d]pyrimidinyl]hexanoic acid

C21H20N4O4S2 (456.092592)


   

N-[(3Z)-3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethylidene]isoindol-1-yl]thiophene-2-carboxamide

N-[(3Z)-3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethylidene]isoindol-1-yl]thiophene-2-carboxamide

C25H20N4O3S (456.12560500000006)


   

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]acetamide

C22H24N4O5S (456.1467334)


   

3-[2-[4-(4-Chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

3-[2-[4-(4-Chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

C19H25ClN4O5S (456.12341100000003)


   

4-(1-Piperidinyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid ethyl ester

4-(1-Piperidinyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid ethyl ester

C21H23F3N2O4S (456.13305540000005)


   

7-(6-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyloxy)coumarin

7-(6-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyloxy)coumarin

C20H24O12 (456.1267704)


   

1-[[(2S,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea

1-[[(2S,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea

C19H29BrN4O4 (456.1372054)


   

1-[[(2R,3S)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea

1-[[(2R,3S)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea

C19H29BrN4O4 (456.1372054)


   

1-[[(2S,3S)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea

1-[[(2S,3S)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea

C19H29BrN4O4 (456.1372054)


   

1-[[(2S,3S)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea

1-[[(2S,3S)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea

C19H29BrN4O4 (456.1372054)


   

1-[[(2R,3S)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea

1-[[(2R,3S)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea

C19H29BrN4O4 (456.1372054)


   

1-[[(2S,3R)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea

1-[[(2S,3R)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea

C19H29BrN4O4 (456.1372054)


   

1-[[(2R,3R)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea

1-[[(2R,3R)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea

C19H29BrN4O4 (456.1372054)


   

1-[[(2R,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea

1-[[(2R,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea

C19H29BrN4O4 (456.1372054)


   

[(3aS,4S,9bS)-8-(2-fluorophenyl)-1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol

[(3aS,4S,9bS)-8-(2-fluorophenyl)-1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol

C24H22F2N2O3S (456.1319126000001)


   

[(1S)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-(3-pyridinyl)methanone

[(1S)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-(3-pyridinyl)methanone

C22H24N4O5S (456.1467334)


   

[(1R)-1-(hydroxymethyl)-7-methoxy-1-methylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-(2-pyridinyl)methanone

[(1R)-1-(hydroxymethyl)-7-methoxy-1-methylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-(2-pyridinyl)methanone

C22H24N4O5S (456.1467334)


   

(6R,7S,8S)-7-[4-(1-cyclopentenyl)phenyl]-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

(6R,7S,8S)-7-[4-(1-cyclopentenyl)phenyl]-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

C24H25FN2O4S (456.1518982)


   

(6S,7S,8R)-7-[4-(1-cyclopentenyl)phenyl]-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

(6S,7S,8R)-7-[4-(1-cyclopentenyl)phenyl]-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

C24H25FN2O4S (456.1518982)


   

[(3aR,4R,9bR)-8-(2-fluorophenyl)-1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol

[(3aR,4R,9bR)-8-(2-fluorophenyl)-1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol

C24H22F2N2O3S (456.1319126000001)


   

[(3aS,4R,9bS)-8-(2-fluorophenyl)-1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol

[(3aS,4R,9bS)-8-(2-fluorophenyl)-1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol

C24H22F2N2O3S (456.1319126000001)


   

[(3aR,4S,9bR)-8-(2-fluorophenyl)-1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol

[(3aR,4S,9bR)-8-(2-fluorophenyl)-1-(2-fluorophenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol

C24H22F2N2O3S (456.1319126000001)


   

[(1R)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-(3-pyridinyl)methanone

[(1R)-1-(hydroxymethyl)-7-methoxy-2-methylsulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-(3-pyridinyl)methanone

C22H24N4O5S (456.1467334)


   

[(1S)-1-(hydroxymethyl)-7-methoxy-1-methylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-(2-pyridinyl)methanone

[(1S)-1-(hydroxymethyl)-7-methoxy-1-methylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-(2-pyridinyl)methanone

C22H24N4O5S (456.1467334)


   

(6R,7R,8S)-7-[4-(1-cyclopentenyl)phenyl]-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

(6R,7R,8S)-7-[4-(1-cyclopentenyl)phenyl]-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

C24H25FN2O4S (456.1518982)


   

(6R,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

(6R,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

C24H25FN2O4S (456.1518982)


   

(6S,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

(6S,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-4-(3-fluorophenyl)sulfonyl-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one

C24H25FN2O4S (456.1518982)


   

4-(1-Benzofuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-prop-2-enoxyphenyl)pyrrolidine-2,3-dione

4-(1-Benzofuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-prop-2-enoxyphenyl)pyrrolidine-2,3-dione

C26H20N2O6 (456.13213)


   

3,4,5-Trihydroxy-6-[(4,5,6-trihydroxy-2-{[(3-methoxy-3-oxopropanoyl)oxy]methyl}oxan-3-yl)oxy]oxane-2-carboxylic acid

3,4,5-Trihydroxy-6-[(4,5,6-trihydroxy-2-{[(3-methoxy-3-oxopropanoyl)oxy]methyl}oxan-3-yl)oxy]oxane-2-carboxylic acid

C16H24O15 (456.11151540000003)


   

FMNH2(2-)

FMNH2(2-)

C17H21N4O9P (456.10461060000006)


Dianion of reduced flavin mononucleotide arising from deprotonation of both phosphate OH groups.

   

LPG 11:3;O3

LPG 11:3;O3

C17H29O12P (456.13965640000004)


   

LPI 7:3;O

LPI 7:3;O

C16H25O13P (456.103273)


   

ST 20:5;O7;S

ST 20:5;O7;S

C20H24O10S (456.1090124)


   

ST 21:4;O6;S

ST 21:4;O6;S

C21H28O9S (456.1453958000001)


   

Tinlorafenib

Tinlorafenib

C19H19ClF2N4O3S (456.08343979999995)


Tinlorafenib (PF-07284890) (compound 10) is an orally active BRAF kinase inhibitor, with IC50s of 4.25 and 2.7 nM for BRAFV600E/V600K respectively. Tinlorafenib demonstrates CNS penetration and can be used in the research of BRAF-associated malignant and benign tumors of the CNS as well as extracranial malignancies[1].

   

UNC9994 (hydrochloride)

UNC9994 (hydrochloride)

C21H23Cl3N2OS (456.0596598)


UNC9994 hydrochloride is a functionally selective, β-arrestin–biased dopamine D2 receptor (D2R) agonist that selectively activates β-arrestin recruitment and signaling. UNC9994 hydrochloride shows a binding affinity with a Ki of 79 nM for D2R. UNC9994 hydrochloride is also an antagonist of Gi-regulated cAMP production and partial agonist for D2R/β-arrestin-2 interactions. UNC9994 hydrochloride shows antipsychotic-like activity[1].