Exact Mass: 598.2137464

Exact Mass Matches: 598.2137464

Found 252 metabolites which its exact mass value is equals to given mass value 598.2137464, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Mg-Protoporphyrin IX 13-monomethyl ester

Mg-Protoporphyrin IX 13-monomethyl ester

C35H34MgN4O4 (598.2430424)


   

tinyatoxin

Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-, 20-(4-hydroxybenzeneacetate)

C36H38O8 (598.2566548)


A heteropentacyclic compound found in Euphorbia poissonii with molecular formula C36H38O8. It is an agonist of the transient receptor potential cation channel subfamily V member 1 (TrpV1).

   

Pentaacetyl geniposide

Geniposide pentaacetate; Pentaacetyl geniposide

C27H34O15 (598.1897614000001)


   

Tributyltin oxide

Tributyltin oxide; TBTO

C24H54OSn2 (598.2218413999999)


D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D000890 - Anti-Infective Agents D016573 - Agrochemicals D004202 - Disinfectants D010575 - Pesticides

   

Landomycin D

Landomycin D

C31H34O12 (598.2050164)


A natural product found in Streptomyces cyanogenus.

   

5-Oxo-delta-bilirubin

5-Oxo-delta-bilirubin; delta-Staphylobilin

C33H34N4O7 (598.2427374)


   

15-Oxo-beta-bilirubin

15-Oxo-beta-bilirubin; beta-Staphylobilin

C33H34N4O7 (598.2427374)


   

Dexamethazone metasulfobenzoate sodium

Dexamethazone metasulfobenzoate sodium

C29H32FO9S. Na (598.1648674)


Same as: D01510

   

10-Acetoxyoleuropein

Methyl (3E)-3-[2-(acetyloxy)ethylidene]-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid

C27H34O15 (598.1897614000001)


10-Acetoxyoleuropein is found in herbs and spices. 10-Acetoxyoleuropein is a constituent of osmanthus leaves (Osmanthus fragrans). Constituent of osmanthus leaves (Osmanthus fragrans). 10-Acetoxyoleuropein is found in herbs and spices.

   

Losartan N2-glucuronide

(2S,3S,4S,5R,6R)-6-{5-[2-(4-{[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)phenyl]-2H-1,2,3,4-tetrazol-2-yl}-3,4,5-trihydroxyoxane-2-carboxylic acid

C28H31ClN6O7 (598.1942646)


Losartan N2-glucuronide is only found in individuals that have used or taken Losartan. Losartan N2-glucuronide is a metabolite of Losartan. Losartan n2-glucuronide belongs to the family of Pyranoid Amino Acids and Derivatives. These are compounds containing a (hydro)pyran ring bearing unprotected amino and carboxylic acid functionalities.

   

C.I. Pigment Red 149

7,18-bis(3,5-dimethylphenyl)-7,18-diazaheptacyclo[14.6.2.2²,⁵.0³,¹².0⁴,⁹.0¹³,²³.0²⁰,²⁴]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone

C40H26N2O4 (598.1892476)


C.I. Pigment Red 149 is a fda approved colourant for food contact polymer FDA approved colourant for food contact polymers

   

7-N-(2-((2-(gamma-L-Glutamylamino)ethyl)dithio)ethyl)mitomycin C

2-amino-4-[(2-{[2-({8-[(carbamoyloxy)methyl]-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.0^{2,7}.0^{4,6}]trideca-1(9),11-dien-11-yl}amino)ethyl]disulfanyl}ethyl)carbamoyl]butanoic acid

C24H34N6O8S2 (598.1879444000001)


   

Leucopelargonidin 3-O-alpha-L-rhamno-beta-D-glucopyranoside

2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4,5,7-triol

C27H34O15 (598.1897614000001)


Leucopelargonidin 3-o-alpha-l-rhamno-beta-d-glucopyranoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Leucopelargonidin 3-o-alpha-l-rhamno-beta-d-glucopyranoside can be found in loquat, which makes leucopelargonidin 3-o-alpha-l-rhamno-beta-d-glucopyranoside a potential biomarker for the consumption of this food product.

   

Phloretin 3,5-Di-C-glucoside

4,2,4,6-Tetrahydroxydihydroxychalcone 3,5-Di-C-glucoside

C27H34O15 (598.1897614000001)


   

Magnesium protoporphyrin monomethyl ester

Magnesium protoporphyrin monomethyl ester

C35H34MgN4O4 (598.2430424)


   
   
   
   
   
   

calyxin A

(1E,3R,5S) -1,7-Bis (4-hydroxyphenyl) -3- [ 2,6-dihydroxy-4-methoxy-5- [ (E) -1-oxo-3- (4-hydroxyphenyl) -2-propenyl ] phenyl ] -1-heptene-5-ol

C35H34O9 (598.2202714)


   
   
   
   
   
   
   
   
   
   
   

3-Hydroxy-2-methyl-4-[(7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy]-2-butanyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside

3-Hydroxy-2-methyl-4-[(7-oxo-7H-furo[3,2-g]chromen-4-yl)oxy]-2-butanyl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside

C27H34O15 (598.1897614000001)


   

5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid

5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid

C27H34O15 (598.1897614000001)


   

(1S,2S,3S,3S,7R,8R,9S,13R)-8-(acetyloxy)-2,2,2,9,13-pentamethyl-6,16-dimethylidene-6,11,15-trioxo-10,14,17-trioxaspiro[oxane-3,5-pentacyclo[7.6.1.1⁷,¹².0¹,¹².0²,⁷]heptadecane]-3-yl (2E)-2-methylbut-2-enoate

(1S,2S,3S,3S,7R,8R,9S,13R)-8-(acetyloxy)-2,2,2,9,13-pentamethyl-6,16-dimethylidene-6,11,15-trioxo-10,14,17-trioxaspiro[oxane-3,5-pentacyclo[7.6.1.1⁷,¹².0¹,¹².0²,⁷]heptadecane]-3-yl (2E)-2-methylbut-2-enoate

C32H38O11 (598.2413998)


   

Phloretin + C-Hex, C-Hex

Phloretin + C-Hex, C-Hex

C27H34O15 (598.1897614000001)


Annotation level-3

   

1,2,5,6-Tetra-O-benzoylhexitol #

1,2,5,6-Tetra-O-benzoylhexitol #

C34H30O10 (598.183888)


   
   

3-(4-Acetoxy-2-hydroxy-2,6,6-trimethylcyclohexylidene)-1-methylprop-2-enyl 2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranoside

3-(4-Acetoxy-2-hydroxy-2,6,6-trimethylcyclohexylidene)-1-methylprop-2-enyl 2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranoside

C29H42O13 (598.2625282)


   

actinoperylone dimethyl ester

actinoperylone dimethyl ester

C34H30O10 (598.183888)


   

1,2,4,6-Tetrabenzoyl-Glucitol

1,2,4,6-Tetrabenzoyl-Glucitol

C34H30O10 (598.183888)


   
   

(Sa)-rel-(5R,6R,7R,8S)-5,6,7,8-tetrahydro-1,6-dihydroxy-2,3,13-trimethoxy-6,7-dimethylbenzo[3,4]cycloocta[1,2-f][1,3]benzodioxole-5,8-diyl bis[(2Z)-2-methylbut-2-enoate]|kadsuphilol R

(Sa)-rel-(5R,6R,7R,8S)-5,6,7,8-tetrahydro-1,6-dihydroxy-2,3,13-trimethoxy-6,7-dimethylbenzo[3,4]cycloocta[1,2-f][1,3]benzodioxole-5,8-diyl bis[(2Z)-2-methylbut-2-enoate]|kadsuphilol R

C32H38O11 (598.2413998)


   

(7S,8R)-syringylglycerol-8-O-4-sinapyl ether 9-O-beta-D-glucopyranoside

(7S,8R)-syringylglycerol-8-O-4-sinapyl ether 9-O-beta-D-glucopyranoside

C28H38O14 (598.2261447999999)


   
   
   

quiquesetinerviusin A

quiquesetinerviusin A

C34H30O10 (598.183888)


   

3,4-Dihydroxyphenylethanol-8-O-[(5-O-vanilloyl)-??-D-apiofuranosyl(1鈥樏傗垎2)]-??-D-glucopyranoside

3,4-Dihydroxyphenylethanol-8-O-[(5-O-vanilloyl)-??-D-apiofuranosyl(1鈥樏傗垎2)]-??-D-glucopyranoside

C27H34O15 (598.1897614000001)


   

3,5-di-C-beta-D-glucopyranosylphloretin

3,5-di-C-beta-D-glucopyranosylphloretin

C27H34O15 (598.1897614000001)


   
   

3,4-dihydro-10-hydroxy-7-methoxy-3-(R)-methyl-1H-3,4-dihydronaphtho-<2,3c>-pyran-1-one-9-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside|3,4-dihydro-10-hydroxy-7-methoxy-3-(R)-methyl-1H-3,4-dihydronaphtho-[2,3c]-pyran-1-one-9-O-beta-D-glucopyranosyl-(1->6)-glucopyranoside

3,4-dihydro-10-hydroxy-7-methoxy-3-(R)-methyl-1H-3,4-dihydronaphtho-<2,3c>-pyran-1-one-9-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside|3,4-dihydro-10-hydroxy-7-methoxy-3-(R)-methyl-1H-3,4-dihydronaphtho-[2,3c]-pyran-1-one-9-O-beta-D-glucopyranosyl-(1->6)-glucopyranoside

C27H34O15 (598.1897614000001)


   

daphnodorin M tetramethyl ether

daphnodorin M tetramethyl ether

C34H30O10 (598.183888)


   

9-[(2R)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one

9-[(2R)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one

C27H34O15 (598.1897614000001)


   
   

Rhodoptilometrin bianthrone

Rhodoptilometrin bianthrone

C34H30O10 (598.183888)


   

3,4,4,7-Tetramethoxy-5,5-dihydroxy-8,3-biflavanone

3,4,4,7-Tetramethoxy-5,5-dihydroxy-8,3-biflavanone

C34H30O10 (598.183888)


   
   

6alpha,11beta-diacetoxygedunin

6alpha,11beta-diacetoxygedunin

C32H38O11 (598.2413998)


   

(2S)-6,8-dimethyl-5,7,2,5-tetrahydroflavanone 7-O-(6-O-p-hydroxybenzoyl)-beta-D-glucopyranoside|myrciacitrin V

(2S)-6,8-dimethyl-5,7,2,5-tetrahydroflavanone 7-O-(6-O-p-hydroxybenzoyl)-beta-D-glucopyranoside|myrciacitrin V

C30H30O13 (598.168633)


   

3-Methoxy-5,7-dihydroxy-8-[2,4-dihydroxy-3-[3-(4-hydroxyphenyl)propionyl]-5-methyl-6-methoxybenzyl]flavone

3-Methoxy-5,7-dihydroxy-8-[2,4-dihydroxy-3-[3-(4-hydroxyphenyl)propionyl]-5-methyl-6-methoxybenzyl]flavone

C34H30O10 (598.183888)


   
   

(7R,8S)-erythro-syringylglycerol-beta-O-4-sinapyl ether 9-O-beta-D-glucopyranoside|2-[4-(3-hydroxy-1-propenyl)-2,6-dimethoxy-phenoxy]-3-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)propyl-beta-D-glucopyranoside

(7R,8S)-erythro-syringylglycerol-beta-O-4-sinapyl ether 9-O-beta-D-glucopyranoside|2-[4-(3-hydroxy-1-propenyl)-2,6-dimethoxy-phenoxy]-3-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)propyl-beta-D-glucopyranoside

C28H38O14 (598.2261447999999)


   

(-)-5,5-dimethoxy-4-O-(beta-D-glucopyranosyl) lariciresinol

(-)-5,5-dimethoxy-4-O-(beta-D-glucopyranosyl) lariciresinol

C28H38O14 (598.2261447999999)


   
   

2?-beta-D-glucopyranosyloxybenzyl 6-alpha-L-rhamnopyranosyloxy-2-hydroxy-3-methoxybenzoate

2?-beta-D-glucopyranosyloxybenzyl 6-alpha-L-rhamnopyranosyloxy-2-hydroxy-3-methoxybenzoate

C27H34O15 (598.1897614000001)


   

2?-beta-D-glucopyranosyloxybenzyl 6-alpha-L-rhamnopyranosyloxy-3-hydroxy-2-methoxybenzoate

2?-beta-D-glucopyranosyloxybenzyl 6-alpha-L-rhamnopyranosyloxy-3-hydroxy-2-methoxybenzoate

C27H34O15 (598.1897614000001)


   
   
   
   
   

3,5-bis(3-methyl-2-butenyl)-4-O-[beta-D-glucopyranosyl-(1?4)-beta-D-glucopyranosyl]benzoic acid

3,5-bis(3-methyl-2-butenyl)-4-O-[beta-D-glucopyranosyl-(1?4)-beta-D-glucopyranosyl]benzoic acid

C29H42O13 (598.2625282)


   
   
   
   
   

1-(2,4-bis-beta-D-glucopyranosyloxy-6-hydroxy-phenyl)-3-(4-hydroxy-phenyl)-propan-1-one|1-(2,4-Bis-beta-D-lucopyranosyloxy-6-hydroxy-phenyl)-3-(4-hydroxy-phenyl)-propan-1-on|phloretin-2,4-di-O-beta-D-glucopyranoside

1-(2,4-bis-beta-D-glucopyranosyloxy-6-hydroxy-phenyl)-3-(4-hydroxy-phenyl)-propan-1-one|1-(2,4-Bis-beta-D-lucopyranosyloxy-6-hydroxy-phenyl)-3-(4-hydroxy-phenyl)-propan-1-on|phloretin-2,4-di-O-beta-D-glucopyranoside

C27H34O15 (598.1897614000001)


   
   

2-(4-{[(3-ethylheptanoyl)oxy]methyl}phenyl)-5-methoxy-4-oxo-4H-chromen-7-yl (E)-3-(4-methoxyphenyl)-2-propenoate|prunusin A

2-(4-{[(3-ethylheptanoyl)oxy]methyl}phenyl)-5-methoxy-4-oxo-4H-chromen-7-yl (E)-3-(4-methoxyphenyl)-2-propenoate|prunusin A

C36H38O8 (598.2566548)


   

sec-[O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranosyl]-oxypeucedanin hydrate

sec-[O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranosyl]-oxypeucedanin hydrate

C27H34O15 (598.1897614000001)


   

3-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-[4-(3-hydroxy-1-(E)-propenyl)-26-dimethoxyphenoxy]propyl-beta-D-glucopyranoside

3-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-[4-(3-hydroxy-1-(E)-propenyl)-26-dimethoxyphenoxy]propyl-beta-D-glucopyranoside

C28H38O14 (598.2261447999999)


   

beta-D-glucopyranosyl (6->1)-beta-D-glucopyranosyl-4-(4-ethylphenyl)gallate|mimusopstannin

beta-D-glucopyranosyl (6->1)-beta-D-glucopyranosyl-4-(4-ethylphenyl)gallate|mimusopstannin

C27H34O15 (598.1897614000001)


   

6-hydroxycalyxin F

6-hydroxycalyxin F

C35H34O9 (598.2202714)


   

(1R*,3aS*,4E,6Z,8S*,8aR*,9S*,11R*,12R*,12aS*,13S*,13aS*)-5-(chloromethyl)-1,3a,8,8a,9,10,11,12a,13,13a-decahydro-13a-hydroxy-1,8a-dimethyl-2-oxo-2H-spiro[benzo[4,5]cyclodeca[1,2-b]furan-12,2-oxirane]-8,9,11,13-tetrayl tetraacetate|frajunolide C|rel-(1R,2S,7S,8S,9S,10S,11R,12R,14S,17R)-2,9,12,14-tetraacetoxy-16-chloro-11,20-epoxy-8-hydroxybriara-3,5-dien-18,7-olide

(1R*,3aS*,4E,6Z,8S*,8aR*,9S*,11R*,12R*,12aS*,13S*,13aS*)-5-(chloromethyl)-1,3a,8,8a,9,10,11,12a,13,13a-decahydro-13a-hydroxy-1,8a-dimethyl-2-oxo-2H-spiro[benzo[4,5]cyclodeca[1,2-b]furan-12,2-oxirane]-8,9,11,13-tetrayl tetraacetate|frajunolide C|rel-(1R,2S,7S,8S,9S,10S,11R,12R,14S,17R)-2,9,12,14-tetraacetoxy-16-chloro-11,20-epoxy-8-hydroxybriara-3,5-dien-18,7-olide

C28H35ClO12 (598.1816940000001)


   

5-demethylnovobiocin|TPU-0031-B

5-demethylnovobiocin|TPU-0031-B

C30H34N2O11 (598.2162494)


   

(1S,4R,5S,6R,7R,8R,9S,10S)-1,8,9-tribenzoyloxy-6-hydroxydihydro-beta-agarofuran

(1S,4R,5S,6R,7R,8R,9S,10S)-1,8,9-tribenzoyloxy-6-hydroxydihydro-beta-agarofuran

C36H38O8 (598.2566548)


   

Antibiotic A 39183A

Antibiotic A 39183A

C34H30O10 (598.183888)


   
   
   

[4-(5-sulfanylidenedithiol-3-yl)phenyl] 7-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enoate

[4-(5-sulfanylidenedithiol-3-yl)phenyl] 7-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enoate

C32H38O5S3 (598.1881258)


   

{3,4,5-triacetyloxy-6-[3-(4-methoxyphenyl)-4-oxochromen-6-yloxy]-2H-3,4,5,6-te trahydropyran-2-yl}methyl acetate

{3,4,5-triacetyloxy-6-[3-(4-methoxyphenyl)-4-oxochromen-6-yloxy]-2H-3,4,5,6-te trahydropyran-2-yl}methyl acetate

C30H30O13 (598.168633)


relative retention time with respect to 9-anthracene Carboxylic Acid is 1.356 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.355

   

4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one

NCGC00385154-02!4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one

C27H34O15 (598.1897614000001)


   

4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one

NCGC00385154-01!4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one

C27H34O15 (598.1897614000001)


   

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetyl]oxy-6-[[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetyl]oxymethyl]oxan-3-yl] 2-phenylacetate

NCGC00347589-02![(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetyl]oxy-6-[[2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetyl]oxymethyl]oxan-3-yl] 2-phenylacetate

C30H30O13 (598.168633)


   

C27H34O15

NCGC00385037-01_C27H34O15_

C27H34O15 (598.1897614000001)


   

4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one [IIN-based: Match]

NCGC00385154-01!4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one [IIN-based: Match]

C27H34O15 (598.1897614000001)


   

4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000848662]

NCGC00385154-01!4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000848662]

C27H34O15 (598.1897614000001)


   

CP-532623

CP-532623

C27H27F9N2O3 (598.1877860000001)


CONFIDENCE standard compound; INTERNAL_ID 689; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5617; ORIGINAL_PRECURSOR_SCAN_NO 5613 CONFIDENCE standard compound; INTERNAL_ID 689; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5639; ORIGINAL_PRECURSOR_SCAN_NO 5637 CONFIDENCE standard compound; INTERNAL_ID 689; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5599; ORIGINAL_PRECURSOR_SCAN_NO 5597 CONFIDENCE standard compound; INTERNAL_ID 689; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5626; ORIGINAL_PRECURSOR_SCAN_NO 5624 CONFIDENCE standard compound; INTERNAL_ID 689; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5625; ORIGINAL_PRECURSOR_SCAN_NO 5622 CONFIDENCE standard compound; INTERNAL_ID 689; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5627; ORIGINAL_PRECURSOR_SCAN_NO 5624

   

5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid_major

5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid_major

C27H34O15 (598.1897614000001)


   

JACAGLABROSIDE B_40.5\\%

JACAGLABROSIDE B_40.5\\%

C30H30O13 (598.168633)


   

JACAGLABROSIDE B_major

JACAGLABROSIDE B_major

C30H30O13 (598.168633)


   

JACAGLABROSIDE B_74.3\\%

JACAGLABROSIDE B_74.3\\%

C30H30O13 (598.168633)


   

(1S,2S,3S,3S,7R,8R,9S,13R)-8-(acetyloxy)-2,2,2,9,13-pentamethyl-6,16-dimethylidene-6,11,15-trioxo-10,14,17-trioxaspiro[oxane-3,5-pentacyclo[7.6.1.1?,¹².0¹,¹².0²,?]heptadecane]-3-yl (2E)-2-methylbut-2-enoate

(1S,2S,3S,3S,7R,8R,9S,13R)-8-(acetyloxy)-2,2,2,9,13-pentamethyl-6,16-dimethylidene-6,11,15-trioxo-10,14,17-trioxaspiro[oxane-3,5-pentacyclo[7.6.1.1?,¹².0¹,¹².0²,?]heptadecane]-3-yl (2E)-2-methylbut-2-enoate

C32H38O11 (598.2413998)


   

Losartan Metabolite (b-D-Glucopyranuronic acid, 1-[5-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imi

Losartan Metabolite (b-D-Glucopyranuronic acid, 1-[5-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imi

C28H31ClN6O7 (598.1942646)


   

Cys Lys Trp Tyr

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2R)-2-amino-3-sulfanylpropanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C29H38N6O6S (598.2573408000001)


   

Cys Lys Tyr Trp

(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2R)-2-amino-3-sulfanylpropanamido]hexanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C29H38N6O6S (598.2573408000001)


   

Cys Gln Trp Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C28H34N6O7S (598.2209574000001)


   

Cys Gln Tyr Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C28H34N6O7S (598.2209574000001)


   

Cys Trp Lys Tyr

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]-3-(4-hydroxyphenyl)propanoic acid

C29H38N6O6S (598.2573408000001)


   

Cys Trp Gln Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanoic acid

C28H34N6O7S (598.2209574000001)


   

Cys Trp Tyr Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]hexanoic acid

C29H38N6O6S (598.2573408000001)


   

Cys Trp Tyr Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanoic acid

C28H34N6O7S (598.2209574000001)


   

Cys Tyr Lys Trp

(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-(1H-indol-3-yl)propanoic acid

C29H38N6O6S (598.2573408000001)


   

Cys Tyr Gln Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoic acid

C28H34N6O7S (598.2209574000001)


   

Cys Tyr Trp Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]hexanoic acid

C29H38N6O6S (598.2573408000001)


   

Cys Tyr Trp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

C28H34N6O7S (598.2209574000001)


   

Glu His Gln Trp

(4S)-4-amino-4-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C27H34N8O8 (598.2499484)


   

Glu His Trp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

C27H34N8O8 (598.2499484)


   

Glu Gln His Trp

(4S)-4-amino-4-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propyl]carbamoyl}butanoic acid

C27H34N8O8 (598.2499484)


   

Glu Gln Trp His

(4S)-4-amino-4-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propyl]carbamoyl}butanoic acid

C27H34N8O8 (598.2499484)


   

Glu Trp His Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid

C27H34N8O8 (598.2499484)


   

Glu Trp Gln His

(4S)-4-amino-4-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C27H34N8O8 (598.2499484)


   

His Glu Gln Trp

(4S)-4-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propyl]carbamoyl}butanoic acid

C27H34N8O8 (598.2499484)


   

His Glu Trp Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

C27H34N8O8 (598.2499484)


   

His Gln Glu Trp

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C27H34N8O8 (598.2499484)


   

His Gln Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C27H34N8O8 (598.2499484)


   

His Trp Glu Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-4-carbamoylbutanoic acid

C27H34N8O8 (598.2499484)


   

His Trp Gln Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]pentanedioic acid

C27H34N8O8 (598.2499484)


   

Lys Cys Trp Tyr

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2,6-diaminohexanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C29H38N6O6S (598.2573408000001)


   

Lys Cys Tyr Trp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2,6-diaminohexanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C29H38N6O6S (598.2573408000001)


   

Lys Trp Cys Tyr

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C29H38N6O6S (598.2573408000001)


   

Lys Trp Tyr Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C29H38N6O6S (598.2573408000001)


   

Lys Tyr Cys Trp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C29H38N6O6S (598.2573408000001)


   

Lys Tyr Trp Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C29H38N6O6S (598.2573408000001)


   

Gln Cys Trp Tyr

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C28H34N6O7S (598.2209574000001)


   

Gln Cys Tyr Trp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C28H34N6O7S (598.2209574000001)


   

Gln Glu His Trp

(4S)-4-[(2S)-2-amino-4-carbamoylbutanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C27H34N8O8 (598.2499484)


   

Gln Glu Trp His

(4S)-4-[(2S)-2-amino-4-carbamoylbutanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C27H34N8O8 (598.2499484)


   

Gln His Glu Trp

(4S)-4-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C27H34N8O8 (598.2499484)


   

Gln His Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C27H34N8O8 (598.2499484)


   

Gln Trp Cys Tyr

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C28H34N6O7S (598.2209574000001)


   

Gln Trp Glu His

(4S)-4-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C27H34N8O8 (598.2499484)


   

Gln Trp His Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]pentanedioic acid

C27H34N8O8 (598.2499484)


   

Gln Trp Tyr Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C28H34N6O7S (598.2209574000001)


   

Gln Tyr Cys Trp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C28H34N6O7S (598.2209574000001)


   

Gln Tyr Trp Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C28H34N6O7S (598.2209574000001)


   

Trp Cys Lys Tyr

(2S)-2-[(2S)-6-amino-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]hexanamido]-3-(4-hydroxyphenyl)propanoic acid

C29H38N6O6S (598.2573408000001)


   

Trp Cys Gln Tyr

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanoic acid

C28H34N6O7S (598.2209574000001)


   

Trp Cys Tyr Lys

(2S)-6-amino-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]hexanoic acid

C29H38N6O6S (598.2573408000001)


   

Trp Cys Tyr Gln

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanoic acid

C28H34N6O7S (598.2209574000001)


   

Trp Glu His Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid

C27H34N8O8 (598.2499484)


   

Trp Glu Gln His

(4S)-4-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propyl]carbamoyl}butanoic acid

C27H34N8O8 (598.2499484)


   

Trp His Glu Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carboxybutanamido]-4-carbamoylbutanoic acid

C27H34N8O8 (598.2499484)


   

Trp His Gln Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanamido]pentanedioic acid

C27H34N8O8 (598.2499484)


   

Trp Lys Cys Tyr

(2S)-2-[(2R)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]hexanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C29H38N6O6S (598.2573408000001)


   

Trp Lys Tyr Cys

(2R)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]hexanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C29H38N6O6S (598.2573408000001)


   

Trp Gln Cys Tyr

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C28H34N6O7S (598.2209574000001)


   

Trp Gln Glu His

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C27H34N8O8 (598.2499484)


   

Trp Gln His Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido]pentanedioic acid

C27H34N8O8 (598.2499484)


   

Trp Gln Tyr Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C28H34N6O7S (598.2209574000001)


   

Trp Tyr Cys Lys

(2S)-6-amino-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]hexanoic acid

C29H38N6O6S (598.2573408000001)


   

Trp Tyr Cys Gln

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-4-carbamoylbutanoic acid

C28H34N6O7S (598.2209574000001)


   

Trp Tyr Lys Cys

(2R)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-sulfanylpropanoic acid

C29H38N6O6S (598.2573408000001)


   

Trp Tyr Gln Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-sulfanylpropanoic acid

C28H34N6O7S (598.2209574000001)


   

Tyr Cys Lys Trp

(2S)-2-[(2S)-6-amino-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]hexanamido]-3-(1H-indol-3-yl)propanoic acid

C29H38N6O6S (598.2573408000001)


   

Tyr Cys Gln Trp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanoic acid

C28H34N6O7S (598.2209574000001)


   

Tyr Cys Trp Lys

(2S)-6-amino-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]hexanoic acid

C29H38N6O6S (598.2573408000001)


   

Tyr Cys Trp Gln

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanoic acid

C28H34N6O7S (598.2209574000001)


   

Tyr Lys Cys Trp

(2S)-2-[(2R)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C29H38N6O6S (598.2573408000001)


   

Tyr Lys Trp Cys

(2R)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C29H38N6O6S (598.2573408000001)


   

Tyr Gln Cys Trp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C28H34N6O7S (598.2209574000001)


   

Tyr Gln Trp Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C28H34N6O7S (598.2209574000001)


   

Tyr Trp Cys Lys

(2S)-6-amino-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]hexanoic acid

C29H38N6O6S (598.2573408000001)


   

Tyr Trp Cys Gln

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-4-carbamoylbutanoic acid

C28H34N6O7S (598.2209574000001)


   

Tyr Trp Lys Cys

(2R)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]-3-sulfanylpropanoic acid

C29H38N6O6S (598.2573408000001)


   

Tyr Trp Gln Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-3-sulfanylpropanoic acid

C28H34N6O7S (598.2209574000001)


   

Fucα1-2Galβ1-3GlcNAcβ-Sp

Fucα1-2Galβ1-3GlcNAcβ-Sp

C22H38N4O15 (598.2333558)


   

Galβ1-3[Fucα1-4]GlcNAcβ-Sp

Galβ1-3[Fucα1-4]GlcNAcβ-Sp

C22H38N4O15 (598.2333558)


   

Galβ1-4[Fucα1-3]GlcNAcβ-Sp

Galβ1-4[Fucα1-3]GlcNAcβ-Sp

C22H38N4O15 (598.2333558)


   

Fucα1-2Galβ1-4GlcNAcβ-Sp

Fucα1-2Galβ1-4GlcNAcβ-Sp

C22H38N4O15 (598.2333558)


   

12S-acetoxy-punaglandin 1

methyl 5S,6R,7R,12S-tetraacetoxy-9-oxo-10-chloro-10Z,14Z,17Z-prostatrienoate-cyclo[8R,12S]

C29H39ClO11 (598.2180774)


   

ACS 67

7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-4-(3-thioxo-3H-1,2-dithiol-5-yl)phenyl ester, 5Z-heptenoic acid

C32H38O5S3 (598.1881258)


   

Losartan N2-glucuronide

(2S,3S,4S,5R,6R)-6-{5-[2-(4-{[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)phenyl]-2H-1,2,3,4-tetrazol-2-yl}-3,4,5-trihydroxyoxane-2-carboxylic acid

C28H31ClN6O7 (598.1942646)


   

Pigment Red 149

7,18-bis(3,5-dimethylphenyl)-7,18-diazaheptacyclo[14.6.2.2^{2,5}.0^{3,12}.0^{4,9}.0^{13,23}.0^{20,24}]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone

C40H26N2O4 (598.1892476)


   

10-Acetoxyoleuropein

methyl (3E)-3-[2-(acetyloxy)ethylidene]-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate

C27H34O15 (598.1897614000001)


   

12S-acetoxy-punaglandin 1

methyl 5S,6R,7R,12S-tetraacetoxy-9-oxo-10-chloro-10Z,14Z,17Z-prostatrienoate-cyclo[8R,12S]

C29H39O11Cl (598.2180774)


   

Ethylene glycol,1,2-propanediol,trimethylolpropane diallyl ether,maleic anhydride,phthalic anhydride polymer

Ethylene glycol,1,2-propanediol,trimethylolpropane diallyl ether,maleic anhydride,phthalic anhydride polymer

C29H42O13 (598.2625282)


   
   

Heraclenol 3-O-[beta-D-apiofuranosyl-(1-6)-beta-D-glucopyranoside]

Heraclenol 3-O-[beta-D-apiofuranosyl-(1-6)-beta-D-glucopyranoside]

C27H34O15 (598.1897614000001)


   

N-anilino-N-[4-[4-[[(Z)-N-anilino-C-phenylcarbonimidoyl]diazenyl]phenyl]phenyl]iminobenzenecarboximidamide

N-anilino-N-[4-[4-[[(Z)-N-anilino-C-phenylcarbonimidoyl]diazenyl]phenyl]phenyl]iminobenzenecarboximidamide

C38H30N8 (598.25933)


   

(3S,5R)-Atorvastatin Calcium Salt

(3S,5R)-Atorvastatin Calcium Salt

C33H35CaFN2O5 (598.2155782)


   

Mupirocin calcium hydrate

Mupirocin calcium hydrate

C26H44O9.1/2Ca.H2O (598.2342636000001)


Mupirocin (BRL-4910A, Pseudomonic acid) calcium hydrate is an orally active antibiotic isolated from Pseudomonas fluorescens. Mupirocin calcium hydrate apparently exerts its antimicrobial activity by reversibly inhibiting isoleucyl-transfer RNA, thereby inhibiting bacterial protein and RNA synthesis[1][2].

   

N,N-BIS(2,6-DIMETHYLPHENYL)PERYLENE-3,4,9,10-TETRACARBOXYLIC DIIMIDE

N,N-BIS(2,6-DIMETHYLPHENYL)PERYLENE-3,4,9,10-TETRACARBOXYLIC DIIMIDE

C40H26N2O4 (598.1892476)


   
   

2,9-bis(2-phenylethyl)anthra[2,1,9-def:6,5,10-def]diisoquinoline-1,3,8,10(2H,9H)-tetrone

2,9-bis(2-phenylethyl)anthra[2,1,9-def:6,5,10-def]diisoquinoline-1,3,8,10(2H,9H)-tetrone

C40H26N2O4 (598.1892476)


   

N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-1-methyl-2,3-dioxopiperidine-4-carboxamide

N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-1-methyl-2,3-dioxopiperidine-4-carboxamide

C31H27ClN6O5 (598.1731362)


   

Benzenesulfonic acid, hexadecyl(sulfophenoxy)-, disodium salt

Benzenesulfonic acid, hexadecyl(sulfophenoxy)-, disodium salt

C28H40Na2O7S2 (598.2010730000001)


   

1,2-BIS(DICYCLOHEXYLPHOSPHINO)ETHANE]PALLADIUM(II) CHLORIDE

1,2-BIS(DICYCLOHEXYLPHOSPHINO)ETHANE]PALLADIUM(II) CHLORIDE

C26H48Cl2P2Pd (598.1642877999999)


   

(2R,4S)-4-(Acetyl(3,5-bis(trifluoromethyl)benzyl)amino)-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid isopropyl ester

(2R,4S)-4-(Acetyl(3,5-bis(trifluoromethyl)benzyl)amino)-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid isopropyl ester

C27H27F9N2O3 (598.1877860000001)


   

3-({5-Benzyl-6-hydroxy-2,4-bis-(4-hydroxy-benzyl)-3-oxo-[1,2,4]-triazepane-1-sulfonyl)-benzonitrile

3-({5-Benzyl-6-hydroxy-2,4-bis-(4-hydroxy-benzyl)-3-oxo-[1,2,4]-triazepane-1-sulfonyl)-benzonitrile

C32H30N4O6S (598.188596)


   

3-[N-[Benzyloxycarbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonylmethylbenzene

3-[N-[Benzyloxycarbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonylmethylbenzene

C35H38N2O5S (598.2501298)


   

Dexamethazone metasulfobenzoate sodium

Dexamethazone metasulfobenzoate sodium

C29H32FNaO9S (598.1648674)


   

3-[(2E)-2-[[3-(2-carboxyethyl)-5-[3-ethenyl-5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrole-2-carbonyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-5-oxopyrrol-3-yl]propanoic acid

3-[(2E)-2-[[3-(2-carboxyethyl)-5-[3-ethenyl-5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrole-2-carbonyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-5-oxopyrrol-3-yl]propanoic acid

C33H34N4O7 (598.2427374)


   

3-[(2E)-2-[[3-(2-carboxyethyl)-5-[4-ethenyl-5-[(E)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-3-methyl-1H-pyrrole-2-carbonyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-5-oxopyrrol-3-yl]propanoic acid

3-[(2E)-2-[[3-(2-carboxyethyl)-5-[4-ethenyl-5-[(E)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-3-methyl-1H-pyrrole-2-carbonyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-5-oxopyrrol-3-yl]propanoic acid

C33H34N4O7 (598.2427374)


   

Leucopelargonidin 3-O-alpha-L-rhamno-beta-D-glucopyranoside

Leucopelargonidin 3-O-alpha-L-rhamno-beta-D-glucopyranoside

C27H34O15 (598.1897614000001)


   

ligraminol B

ligraminol B

C28H38O14 (598.2261447999999)


A natural product found in Acorus gramineus.

   
   

Myrciacitrin V

Myrciacitrin V

C30H30O13 (598.168633)


A flavanone glycoside that is (2S)-flavanone substituted by hydroxy groups at positions 5, 2 and 5, methyl groups at positions 6 and 8 and a (6-O-p-hydroxybenzoyl)-beta-D-glucopyranosyloxy residue at position 7. Isolated from the leaves of Myrcia multiflora, it exhibits inhibitory activity against aldose reductase.

   

[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2R,4R)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]methanone

[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2R,4R)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]methanone

C34H34N2O6S (598.2137464)


   

[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2S,4S)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]methanone

[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2S,4S)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]methanone

C34H34N2O6S (598.2137464)


   

Benzoic acid [3,4-dibenzoyloxy-5-(2,4-dioxo-5-propan-2-yl-1-pyrimidinyl)-2-oxolanyl]methyl ester

Benzoic acid [3,4-dibenzoyloxy-5-(2,4-dioxo-5-propan-2-yl-1-pyrimidinyl)-2-oxolanyl]methyl ester

C33H30N2O9 (598.195121)


   

(3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

(3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

C33H34N4O5S (598.2249794)


   

(3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

(3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

C33H34N4O5S (598.2249794)


   

3-fluoro-N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridin-3-ylacetyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

3-fluoro-N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridin-3-ylacetyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

C30H35FN4O6S (598.2261222)


   

3-fluoro-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridin-3-ylacetyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

3-fluoro-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridin-3-ylacetyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

C30H35FN4O6S (598.2261222)


   

3-fluoro-N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridin-3-ylacetyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

3-fluoro-N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridin-3-ylacetyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

C30H35FN4O6S (598.2261222)


   

1-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

1-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

C30H35FN4O6S (598.2261222)


   

1-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

1-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

C30H35FN4O6S (598.2261222)


   

1-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

1-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

C30H35FN4O6S (598.2261222)


   

3-fluoro-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

3-fluoro-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

C30H35FN4O6S (598.2261222)


   

1-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

1-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

C30H35FN4O6S (598.2261222)


   

1-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

1-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

C30H35FN4O6S (598.2261222)


   

1-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

1-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

C30H35FN4O6S (598.2261222)


   

1-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

1-[(2S,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

C30H35FN4O6S (598.2261222)


   

1-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

1-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

C30H35FN4O6S (598.2261222)


   

3-fluoro-N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

3-fluoro-N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

C30H35FN4O6S (598.2261222)


   

3-fluoro-N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

3-fluoro-N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

C30H35FN4O6S (598.2261222)


   

3-fluoro-N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

3-fluoro-N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[1-oxo-2-(3-pyridinyl)ethyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

C30H35FN4O6S (598.2261222)


   

(3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

(3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

C33H34N4O5S (598.2249794)


   

(3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

(3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

C33H34N4O5S (598.2249794)


   
   

4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one

4-[3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one

C27H34O15 (598.1897614000001)


   

[(1S,2S,3S,5S,7R,8R,9S,13R)-8-acetyloxy-2,2,2,9,13-pentamethyl-6,16-dimethylidene-6,11,15-trioxospiro[10,14,17-trioxapentacyclo[7.6.1.17,12.01,12.02,7]heptadecane-5,3-oxane]-3-yl] (E)-2-methylbut-2-enoate

[(1S,2S,3S,5S,7R,8R,9S,13R)-8-acetyloxy-2,2,2,9,13-pentamethyl-6,16-dimethylidene-6,11,15-trioxospiro[10,14,17-trioxapentacyclo[7.6.1.17,12.01,12.02,7]heptadecane-5,3-oxane]-3-yl] (E)-2-methylbut-2-enoate

C32H38O11 (598.2413998)


   

Gemmacolide H, (rel)-

Gemmacolide H, (rel)-

C28H35ClO12 (598.1816940000001)


A natural product found in Dichotella gemmacea.

   
   
   
   
   
   

Garsorasib

Garsorasib

C32H32F2N8O2 (598.2616155999999)


Garsorasib is a potent inhibitor of KRAS G12C with an IC50 of 10 nM. Garsorasib has the potential for the research of various cancer such as pancreatic cancer, endometrial cancer, colorectal cancer, or lung cancer (non-small cell lung cancer) (extracted from patent WO2020233592A1, compound 2)[1].