Exact Mass: 598.2342636000001

Exact Mass Matches: 598.2342636000001

Found 295 metabolites which its exact mass value is equals to given mass value 598.2342636000001, 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

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

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)

12-Ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d

C36H38MgN4O3 (598.2794258)

A chlorophyllide obtained by hydrolysis of the terpenoid ester moiety of 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyll d.

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.

Hematoporphyrin IX

3-[20-(2-carboxyethyl)-10,15-bis(1-hydroxyethyl)-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(21),2,4,6,8,10,12,14,16(22),17,19-undecaen-4-yl]propanoic acid

C34H38N4O6 (598.2791208)

Iron-free derivatives of heme with 4 methyl groups, 2 hydroxyethyl groups and 2 propionic acid groups attached to the pyrrole rings. Some of these phosphosensitizing agents are used in the phototherapy of malignant neoplasms. -- Pubchem [HMDB] Iron-free derivatives of heme with 4 methyl groups, 2 hydroxyethyl groups and 2 propionic acid groups attached to the pyrrole rings. Some of these phosphosensitizing agents are used in the phototherapy of malignant neoplasms. -- Pubchem.

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

Hematoporphyrin

3-[20-(2-carboxyethyl)-9,14-bis(1-hydroxyethyl)-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(21),2,4,6(24),7,9,11,13,15,17,19-undecaen-4-yl]propanoic acid

C34H38N4O6 (598.2791208)

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)

Rupintrivir

N-[5-Ethoxy-1-(5-hydroxy-3,4-dihydro-2H-pyrrol-4-yl)-5-oxopent-3-en-2-yl]-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazol-3-yl)formamido]-4-oxoheptanimidate

C31H39FN4O7 (598.2802635999999)

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)

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)

Foliachinenoside C

C28H38O14 (598.2261447999999)

Brianodin B

C28H38O14 (598.2261447999999)

13-O-Acetyl-brevifoliol

13-alpha-O-Acetylbrevifoliol

C33H42O10 (598.2777832)

Tinosineside B

C28H38O14 (598.2261447999999)

Paeonidanin A

C31H34O12 (598.2050164)

Quivisianolide A

C32H38O11 (598.2413998)

13-Acetylbrevifoliol

C33H42O10 (598.2777832)

Dendromoniliside E

C28H38O14 (598.2261447999999)

Swietmanin A

C33H42O10 (598.2777832)

SCHEMBL1436500

C27H27F9N2O3 (598.1877860000001)

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)

HEMATOPORPHYRIN

C34H38N4O6 (598.2791208)

D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D006415 - Hematoporphyrins C1420 - Photosensitizing Agent D003879 - Dermatologic Agents

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

C27H34O15 (598.1897614000001)

Annotation level-3

MCULE-2654579527

C27H34O15 (598.1897614000001)

Euphoheliosnoid C

C33H42O10 (598.2777832)

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)

C28H38O14

C28H38O14 (598.2261447999999)

polystachin

C32H38O11 (598.2413998)

(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

C28H38O14 (598.2261447999999)

anodendrosin B

C29H42O13 (598.2625282)

SCHEMBL6936704

C30H34N2O11 (598.2162494)

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

C27H34O15 (598.1897614000001)

15-??-Hydroxylineolon 3-O-??-D-glucopyranosyl-(1鈥樏傗垎4)-??-D-oleandropyranosyl-(1鈥樏傗垎4)-??-D-digitoxopyranosyl-(1鈥樏傗垎4)-??-D-cymaropyranosyl-(1鈥樏傗垎4)-??-D-cymaropyranoside

15-??-Hydroxylineolon 3-O-??-D-glucopyranosyl-(1鈥樏傗垎4)-??-D-oleandropyranosyl-(1鈥樏傗垎4)-??-D-digitoxopyranosyl-(1鈥樏傗垎4)-??-D-cymaropyranosyl-(1鈥樏傗垎4)-??-D-cymaropyranoside

C26H46O15 (598.2836566)

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

C27H34O15 (598.1897614000001)

Rumphioside D

C29H42O13 (598.2625282)

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)

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)

pteroidine

C29H39ClO11 (598.2180774)

NSC650386

C27H34O15 (598.1897614000001)

violide J

C28H38O14 (598.2261447999999)

Piscidofuran

C33H42O10 (598.2777832)

eleutherinoside C

C28H38O14 (598.2261447999999)

6alpha,11beta-diacetoxygedunin

C32H38O11 (598.2413998)

schizanrin J

C32H38O11 (598.2413998)

(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

C28H38O14 (598.2261447999999)

5,7,14-triacetoxy-3-benzoyloxy-15-hydroxy-9-oxojatropha-6(17),11E-diene

C33H42O10 (598.2777832)

(+)-Espinine

C35H38N2O7 (598.2678877999999)

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

C27H34O15 (598.1897614000001)

trichinenlide E

C32H38O11 (598.2413998)

picraquassioside C

C28H38O14 (598.2261447999999)

briacavatolide B

C28H38O14 (598.2261447999999)

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

C29H42O13 (598.2625282)

formicinuoside A

C29H42O13 (598.2625282)

3beta-benzoyloxy-15beta-hydroxy-7beta,8beta,9alpha-triacetoxy-14-oxo-2betaH,13alphaH-jatropha-5E,11E-diene|euphomelliferine

C33H42O10 (598.2777832)

formicinuoside B

C29H42O13 (598.2625282)

cordifolide A

C28H38O12S (598.2083868)

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)

Cardinalin 11

C32H38O11 (598.2413998)

C31H34O12

C31H34O12 (598.2050164)

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)

C33H42O10

C33H42O10 (598.2777832)

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

C27H34O15 (598.1897614000001)

(2S,3S,4R,5R,6R,8R,12S,13S,14R,15R)-5,8,14-triacetoxy-3-benzoyloxy-15-hydroxy-9-oxo-paraliane|5,8,14-triacetoxy-3-benzoyloxy-15-hydroxy-9-oyoparaliane|Paraliane 13|paraliane diterpene

C33H42O10 (598.2777832)

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

C27H34O15 (598.1897614000001)

C36H38O8

C36H38O8 (598.2566548)

6-hydroxycalyxin F

C35H34O9 (598.2202714)

5-demethylnovobiocin|TPU-0031-B

C30H34N2O11 (598.2162494)

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

C36H38O8 (598.2566548)

duranterectoside A

C27H34O15 (598.1897614000001)

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

C32H38O5S3 (598.1881258)

Hematoporphyrin_I

C34H38N4O6 (598.2791208)

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)

C27H34O15

NCGC00385037-01_C27H34O15_

C27H34O15 (598.1897614000001)

C33H42O10_1H-Cyclopent[a]-s-indacen-1-one, 4,8,9a-tris(acetyloxy)-7-(benzoyloxy)tetradecahydro-4a-hydroxy-2,2,3b,6,8a-pentamethyl-, (3aS,3bS,4R,4aR,6S,7S,7aR,8R,8aR,9aS)

NCGC00385281-01_C33H42O10_1H-Cyclopent[a]-s-indacen-1-one, 4,8,9a-tris(acetyloxy)-7-(benzoyloxy)tetradecahydro-4a-hydroxy-2,2,3b,6,8a-pentamethyl-, (3aS,3bS,4R,4aR,6S,7S,7aR,8R,8aR,9aS)-

C33H42O10 (598.2777832)

Haematoporphyrin

C34H38N4O6 (598.2791208)

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]

C27H34O15 (598.1897614000001)

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)

(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

C28H31ClN6O7 (598.1942646)

Ala His Trp Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C31H34N8O5 (598.2652034)

Ala Trp His Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C31H34N8O5 (598.2652034)

Ala Trp Trp His

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C31H34N8O5 (598.2652034)

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 Ala Trp Trp

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

C31H34N8O5 (598.2652034)

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 Ala Trp

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

C31H34N8O5 (598.2652034)

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)

His Trp Trp Ala

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

C31H34N8O5 (598.2652034)

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 Ala His Trp

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

C31H34N8O5 (598.2652034)

Trp Ala Trp His

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

C31H34N8O5 (598.2652034)

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 Ala Trp

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

C31H34N8O5 (598.2652034)

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 His Trp Ala

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

C31H34N8O5 (598.2652034)

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 Trp Ala His

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

C31H34N8O5 (598.2652034)

Trp Trp His Ala

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

C31H34N8O5 (598.2652034)

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

C22H38N4O15 (598.2333558)

Galβ1-3[Fucα1-4]GlcNAcβ-Sp

C22H38N4O15 (598.2333558)

Galβ1-4[Fucα1-3]GlcNAcβ-Sp

C22H38N4O15 (598.2333558)

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

C29H42O13 (598.2625282)

Z-Pro-Arg-AMC · HCl

C29H35ClN6O6 (598.230648)

ISOHEMATOPORPHYRIN IX

C34H38N4O6 (598.2791208)

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

C38H30N8 (598.25933)

(3S,5R)-Atorvastatin Calcium Salt

C33H35CaFN2O5 (598.2155782)

Rupintrivir

C31H39FN4O7 (598.2802635999999)

D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor

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

C40H26N2O4 (598.1892476)

Naringin Hydrate

C27H34O15 (598.1897614000001)

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)

Benzenesulfonic acid, hexadecyl(sulfophenoxy)-, disodium salt

C28H40Na2O7S2 (598.2010730000001)

(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)

5,8,14-Triacetoxy-3-benzoyloxy-15-hydroxy-9-oxoparaliane

C33H42O10 (598.2777832)

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

C35H38N2O5S (598.2501298)

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)

3-[(21S,22S)-12-(dihydroxymethyl)-11-ethyl-4-hydroxy-16-[(1R)-1-hydroxyethyl]-17,19,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid

3-[(21S,22S)-12-(dihydroxymethyl)-11-ethyl-4-hydroxy-16-[(1R)-1-hydroxyethyl]-17,19,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid

C34H38N4O6 (598.2791208)

4-[[2-[(4-Fluorophenyl)methyl]-6-methyl-5-[(5-methyl-3-isoxazolyl)carbonylamino]-1,4-dioxoheptyl]amino]-5-(2-oxo-3-pyrrolidinyl)-2-pentenoic acid ethyl ester

C31H39FN4O7 (598.2802635999999)

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

C27H34O15 (598.1897614000001)

ligraminol B

C28H38O14 (598.2261447999999)

A natural product found in Acorus gramineus.

Ptilosaponoside B

C27H43NaO11S (598.2423648)

[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

C34H34N2O6S (598.2137464)

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

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

C33H34N4O5S (598.2249794)

(4R,5R)-4-[[2-(azidomethyl)phenyl]methyl]-5-(2-azidophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-N-(3-methoxypropyl)-5H-oxazole-4-carboxamide

C31H34N8O5 (598.2652034)

3-(1,3-benzodioxol-5-yl)-1-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methylurea

3-(1,3-benzodioxol-5-yl)-1-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methylurea

C34H38N4O6 (598.2791208)

3-(1,3-benzodioxol-5-yl)-1-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methylurea

3-(1,3-benzodioxol-5-yl)-1-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methylurea

C34H38N4O6 (598.2791208)

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

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

C30H35FN4O6S (598.2261222)

3-(1,3-benzodioxol-5-yl)-1-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methylurea

3-(1,3-benzodioxol-5-yl)-1-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methylurea

C34H38N4O6 (598.2791208)

3-(1,3-benzodioxol-5-yl)-1-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methylurea

3-(1,3-benzodioxol-5-yl)-1-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methylurea

C34H38N4O6 (598.2791208)

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

C30H35FN4O6S (598.2261222)

1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

C32H37F3N4O4 (598.2766758)

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

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

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

C30H35FN4O6S (598.2261222)

1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

C32H37F3N4O4 (598.2766758)

1-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

C32H37F3N4O4 (598.2766758)

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)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

C32H37F3N4O4 (598.2766758)

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

C30H35FN4O6S (598.2261222)

1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea

C32H37F3N4O4 (598.2766758)

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

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

C30H35FN4O6S (598.2261222)

3-(1,3-benzodioxol-5-yl)-1-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methylurea

3-(1,3-benzodioxol-5-yl)-1-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methylurea

C34H38N4O6 (598.2791208)

3-(1,3-benzodioxol-5-yl)-1-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methylurea

3-(1,3-benzodioxol-5-yl)-1-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methylurea

C34H38N4O6 (598.2791208)

(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

C33H34N4O5S (598.2249794)

3-(1,3-benzodioxol-5-yl)-1-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methylurea

3-(1,3-benzodioxol-5-yl)-1-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methylurea

C34H38N4O6 (598.2791208)

Losartan N1-Glucuronide

C28H31ClN6O7 (598.1942646)

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)

[1-Acetyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] nonanoate

C26H46O15 (598.2836566)

[1-Pentanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] hexanoate

C26H46O15 (598.2836566)

[1-Propanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] octanoate

C26H46O15 (598.2836566)

[1-Butanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] heptanoate

C26H46O15 (598.2836566)

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] (Z)-tetradec-9-enoate

C26H47O13P (598.2754141999999)

[1-butanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (Z)-tridec-9-enoate

C26H47O13P (598.2754141999999)

[(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)

[1-acetyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (Z)-pentadec-9-enoate

C26H47O13P (598.2754141999999)

PA 18:4/8:3;O3

C29H43O11P (598.2542857999999)

PA 26:7;O3

C29H43O11P (598.2542857999999)

LPG 20:3;O4

C26H47O13P (598.2754141999999)

PI 13:0/4:1

C26H47O13P (598.2754141999999)

PI 15:1/2:0

C26H47O13P (598.2754141999999)

PI 17:1

C26H47O13P (598.2754141999999)

PI 17:1(9Z)/0:0

C26H47O13P (598.2754141999999)

ST 22:4;O8;GlcA

C28H38O14 (598.2261447999999)

ST 23:3;O7;GlcA

C29H42O13 (598.2625282)

ST 27:7;O4;GlcA

C33H42O10 (598.2777832)

ST 23:4;O8;Hex

C29H42O13 (598.2625282)

ST 29:5;O8;S

C29H42O11S (598.2447702000001)

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].

methyl 2-[6-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,5,15,15-tetramethyl-14-[(3-methyl-2-oxopent-3-en-1-yl)oxy]-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-11-en-16-yl]acetate

C33H42O10 (598.2777832)

(1s,2s,3s,4s,7s,8z,10s,11r,12s,13r,16r,17s)-10,12,16-tris(acetyloxy)-3,4,11,17-tetrahydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,14-dien-2-yl acetate

C28H38O14 (598.2261447999999)

(2s,3r,4s,5s,6r)-2-{4-[(2s,3s,4s,5s)-5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-bis(hydroxymethyl)oxolan-2-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C28H38O14 (598.2261447999999)

4,11,13-tris(acetyloxy)-3a-hydroxy-2,5,8,8-tetramethyl-12-methylidene-9-oxo-1h,2h,3h,4h,5h,10h,11h,13h,13ah-cyclopenta[12]annulen-1-yl benzoate

C33H42O10 (598.2777832)

2-{[(1-{2-[(3-amino-10-chloro-1,2-dihydroxydecylidene)amino]-3-hydroxybutanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}-3-(4-hydroxyphenyl)propanoic acid

C28H43ClN4O8 (598.2769268000001)

[3,4,5-tris(acetyloxy)-6-({4-[4-(acetyloxy)-2-hydroxy-2,6,6-trimethylcyclohexylidene]but-3-en-2-yl}oxy)oxan-2-yl]methyl acetate

C29H42O13 (598.2625282)

methyl (4s,5e,6s)-5-[2-(acetyloxy)ethylidene]-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate

C27H34O15 (598.1897614000001)

(2r,3r,4s,5s,6r)-2-[(2r,3s)-3-hydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-{4-[(1e)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenoxy}propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C28H38O14 (598.2261447999999)

(2s,3r,4s,5s,6r)-2-{[(1r,3r)-10-hydroxy-9-methoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl]oxy}-6-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

C28H38O14 (598.2261447999999)

(2e)-1-{2,4-dihydroxy-3-[(2r,3s,4r,6s)-3-hydroxy-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-yl]-6-methoxyphenyl}-3-(4-hydroxyphenyl)prop-2-en-1-one

C35H34O9 (598.2202714)

(3r)-10-hydroxy-7-methoxy-3-methyl-9-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3h,4h-naphtho[2,3-c]pyran-1-one

C27H34O15 (598.1897614000001)

2-{[3-(4-{[1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)prop-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C28H38O14 (598.2261447999999)

3-chloro-5-[(2e,4r)-4-{[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-3-methyl-5-[(1s,2r,6r)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-en-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde

3-chloro-5-[(2e,4r)-4-{[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-3-methyl-5-[(1s,2r,6r)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-en-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde

C30H43ClO10 (598.2544608000001)

5-{8-chloro-12-hydroxy-10,13,14-trimethyl-9,16-dioxo-4,11,15-trioxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁷]heptadeca-2,5,7-trien-5-yl}-3-methylpent-4-en-2-yl 2-methoxy-2-phenylacetate

C32H35ClO9 (598.196949)

(2r,3r,4s,5s,6r)-2-{[(2e)-3-(4-{[(1s,2r)-1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)prop-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C28H38O14 (598.2261447999999)

(1s,2r,4r,6r,7r,11r,12r,14r,15s,16s,18s)-7-(furan-3-yl)-15-hydroxy-18-(2-methoxy-2-oxoethyl)-1,6,17,17-tetramethyl-9,19-dioxo-3,8,13-trioxahexacyclo[13.3.1.0²,⁴.0²,¹².0⁶,¹¹.0¹²,¹⁴]nonadecan-16-yl (2e)-2-methylbut-2-enoate

(1s,2r,4r,6r,7r,11r,12r,14r,15s,16s,18s)-7-(furan-3-yl)-15-hydroxy-18-(2-methoxy-2-oxoethyl)-1,6,17,17-tetramethyl-9,19-dioxo-3,8,13-trioxahexacyclo[13.3.1.0²,⁴.0²,¹².0⁶,¹¹.0¹²,¹⁴]nonadecan-16-yl (2e)-2-methylbut-2-enoate

C32H38O11 (598.2413998)

(1s,2r,5s,6s,7s,8r,9s,12r)-7,8-bis(benzoyloxy)-12-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate

C36H38O8 (598.2566548)

(2s,4as,6as,7r,9s,10r,10ar,10bs)-9-(acetyloxy)-2-(furan-3-yl)-4a-hydroxy-10b-methyl-4-oxo-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydronaphtho[2,1-c]pyran-10-yl acetate

(2s,4as,6as,7r,9s,10r,10ar,10bs)-9-(acetyloxy)-2-(furan-3-yl)-4a-hydroxy-10b-methyl-4-oxo-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydronaphtho[2,1-c]pyran-10-yl acetate

C28H38O14 (598.2261447999999)

(1s,2s,3ar,4r,5r,11r,13r,13ar)-4,11,13-tris(acetyloxy)-3a-hydroxy-2,5,8,8-tetramethyl-12-methylidene-9-oxo-1h,2h,3h,4h,5h,10h,11h,13h,13ah-cyclopenta[12]annulen-1-yl benzoate

C33H42O10 (598.2777832)

methyl (1s,4ar,6s,7r,7as)-4a,7-dihydroxy-6-{[(2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate

methyl (1s,4ar,6s,7r,7as)-4a,7-dihydroxy-6-{[(2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate

C27H34O15 (598.1897614000001)