Exact Mass: 458.1564448

Exact Mass Matches: 458.1564448

Found 500 metabolites which its exact mass value is equals to given mass value 458.1564448, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Raltitrexed

(2S)-2-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}thiophen-2-yl)formamido]pentanedioic acid

C21H22N4O6S (458.1259992)

Raltitrexed is only found in individuals that have used or taken this drug. It is a chemotherapy drug manufactured AstraZeneca Company, is an antimetabolite used in chemotherapy. It is an inhibitor of thymidylate synthase.Raltitrexed is an antineoplastic Agents and folic acid antagonists. Raltitrexed inhibits thymidylate synthase (TS) leading to DNA fragmentation and cell death. It is transported into cells via a reduced folate carrier. Inside the cell Raltitrexed is extensively polyglutamated, which enhances thymidylate synthase inhibitory power and duration. Inhibition of this enzyme results in decreased synthesis of thymidine triphosphate which is required for DNA synthesis. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BA - Folic acid analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2021 - Thymidylate Synthase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents Same as: D01064

FMNH2

{[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy}phosphonic acid

C17H23N4O9P (458.12025980000004)

FMNH2 is the reduced form of flavin mononucleotide. It is a substrate of the enzyme FMN reductase (EC 1.5.1.29), an enzyme that catalyzes the chemical reaction FMNH2 + NAD(P)+ <=> FMN + NAD(P)H + H+. Flavin mononucleotide (FMN), or riboflavin-5′-phosphate, is a biomolecule produced from riboflavin (vitamin B2) by the enzyme riboflavin kinase and functions as prosthetic group of various oxidoreductases including NADH dehydrogenase. During a catalytic cycle, the reversible interconversion of oxidized (FMN), semiquinone (FMNH•) and reduced (FMNH2) forms occurs in the various oxidoreductases. FMN is a stronger oxidizing agent than NAD and is particularly useful because it can take part in both one- and two-electron transfers. FMNH is a substrate for 2,4-dienoyl-CoA reductase (mitochondrial). [HMDB]

I-123 BMIPP

I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid

C22H35IO2 (458.168168)

C1446 - Radiopharmaceutical Compound > C2124 - Radioconjugate Same as: D06608

5a,11a-Dehydrooxytetracycline

C22H22N2O9 (458.13252420000003)

A member of the class of tetracyclines with formula C22H22N2O9 that is an intermediate in the biosynthesis of oxytetracycline by Streptomyces rimosus.

Valechlorin

4-[(Acetyloxy)methyl]-7-(chloromethyl)-7-hydroxy-1-[(3-methylbutanoyl)oxy]-1H,6H,7H,7ah-cyclopenta[c]pyran-6-yl 3-methylbutanoic acid

C22H31ClO8 (458.1707356)

Constituent of Valeriana officinalis (valerian). Valechlorin is found in tea, fats and oils, and herbs and spices. Valechlorin is found in fats and oils. Valechlorin is a constituent of Valeriana officinalis (valerian). Valechlorin is an iridoid monoterpenoid.

Deoxynivalenol 3-glucoside

3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8-oxaspiro[oxirane-2,12-tricyclo[7.2.1.0²,⁷]dodecan]-5-en-4-one

C21H30O11 (458.178803)

Deoxynivalenol 3-glucoside is found in cereals and cereal products. Deoxynivalenol 3-glucoside is isolated from cultures of sweet corn (Zea mays). Isolated from cultures of sweet corn (Zea mays). Deoxynivalenol 3-glucoside is found in cereals and cereal products and fats and oils.

6'-O-Acetyldaidzin

[6-[3-(4-Hydroxyphenyl)-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl ethanoate

C23H22O10 (458.1212912)

Isolated from soybean seeds (Glycine max); potential nutriceutical. 6-Acetyldaidzin is found in many foods, some of which are soy yogurt, miso, soy milk, and soy bean. 6-O-Acetyldaidzin is found in miso. 6-O-Acetyldaidzin is isolated from soybean seeds (Glycine max); potential nutriceutica

Austinol

8,12-dihydroxy-2,2,2,6,9,13-hexamethyl-16-methylidene-2,6-dihydro-10,14-dioxaspiro[pyran-3,5-tetracyclo[7.6.1.0¹,¹².0²,⁷]hexadecan]-6-ene-6,11,15-trione

C25H30O8 (458.194058)

Austinol is a metabolite of Emericella nidulans, Emericella dentata, Aspergillus variecolor and Aspergillus ustu Metabolite of Emericella nidulans, Emericella dentata, Aspergillus variecolor and Aspergillus ustus.

Gein

2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

C21H30O11 (458.178803)

Sasanquin is found in fats and oils. Sasanquin is isolated from leaves of Camellia sasanqua and Camellia japonica. Isolated from roots of Geum urbanum (herb bennet)

2'-(E)-Feruloyl-3-(arabinosylxylose)

4-Hydroxy-5-(hydroxymethyl)-2-[(2,3,5-trihydroxyoxan-4-yl)oxy]oxolan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

C20H26O12 (458.14241960000004)

2-(E)-Feruloyl-3-(arabinosylxylose) is found in cereals and cereal products. 2-(E)-Feruloyl-3-(arabinosylxylose) is isolated from corn hull

a-L-Fucopyranosyl-(1->2)-b-D-galactopyranosyl-(1->2)-D-xylose

2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[(2,4,5-trihydroxyoxan-3-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C17H30O14 (458.163548)

a-L-Fucopyranosyl-(1->2)-b-D-galactopyranosyl-(1->2)-D-xylose is found in pulses. a-L-Fucopyranosyl-(1->2)-b-D-galactopyranosyl-(1->2)-D-xylose is a constituent in the cell wall material of scarlet runner bean (Phaseolus coccineus). Constituent in the cell wall material of scarlet runner bean (Phaseolus coccineus). a-L-Fucopyranosyl-(1->2)-b-D-galactopyranosyl-(1->2)-D-xylose is found in pulses.

7-Hydroxy-4-methylphthalide O-[arabinosyl-(1->6)-glucoside]

4-methyl-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-1,3-dihydro-2-benzofuran-1-one

C20H26O12 (458.14241960000004)

7-Hydroxy-4-methylphthalide O-[arabinosyl-(1->6)-glucoside] is a constituent of the bark of Quillaja saponaria (soap-bark tree). Constituent of the bark of Quillaja saponaria (soap-bark tree)

cis-p-Coumaric acid 4-[apiosyl-(1->2)-glucoside]

(2E)-3-{4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]phenyl}prop-2-enoic acid

C20H26O12 (458.14241960000004)

cis-p-Coumaric acid 4-[apiosyl-(1->2)-glucoside] is found in herbs and spices. cis-p-Coumaric acid 4-[apiosyl-(1->2)-glucoside] is a constituent of Salvia officinalis (sage). Constituent of Salvia officinalis (sage). cis-p-Coumaric acid 4-[apiosyl-(1->2)-glucoside] is found in tea and herbs and spices.

3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside]

2-{2-hydroxy-4-[(1E)-prop-1-en-1-yl]phenoxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triol

C21H30O11 (458.178803)

3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside] is found in herbs and spices. 3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside] is a constituent of rhizomes of Alpinia officinarum (lesser galangal). Constituent of rhizomes of Alpinia officinarum (lesser galangal). 3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside] is found in herbs and spices.

Eugenol O-[a-L-Arabinofuranosyl-(1->6)-b-D-glucopyranoside]

2-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]oxane-3,4,5-triol

C21H30O11 (458.178803)

Eugenol O-[a-L-Arabinofuranosyl-(1->6)-b-D-glucopyranoside] is found in green vegetables. Eugenol O-[a-L-Arabinofuranosyl-(1->6)-b-D-glucopyranoside] is a constituent of Rosa damascena (damask rose). Constituent of Rosa damascena (damask rose). Eugenol O-[a-L-Arabinofuranosyl-(1->6)-b-D-glucopyranoside] is found in herbs and spices and green vegetables.

12-Hydroxynevirapine glucuronide

(2S,3S,4S,5R)-3,4,5-trihydroxy-6-{[2-(2-hydroxycyclopropyl)-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,9,12,14-heptaen-10-yl]oxy}oxane-2-carboxylic acid

C21H22N4O8 (458.1437572)

12-Hydroxynevirapine glucuronide is a metabolite of nevirapine. Nevirapine, also marketed under the trade name Viramune, is a non-nucleoside reverse transcriptase inhibitor (NNRTI) used to treat HIV-1 infection and AIDS. As with other antiretroviral drugs, HIV rapidly develops resistance if nevirapine is used alone, so recommended therapy consists of combinations of three or more antiretrovirals. (Wikipedia)

2-Hydroxynevirapine glucuronide

(2S,3S,4S,5R,6S)-6-({2-cyclopropyl-10-hydroxy-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H22N4O8 (458.1437572)

2-Hydroxynevirapine glucuronide is a metabolite of nevirapine. Nevirapine, also marketed under the trade name Viramune, is a non-nucleoside reverse transcriptase inhibitor (NNRTI) used to treat HIV-1 infection and AIDS. As with other antiretroviral drugs, HIV rapidly develops resistance if nevirapine is used alone, so recommended therapy consists of combinations of three or more antiretrovirals. (Wikipedia)

3-Hydroxynevirapine glucuronide

(2S,3S,4S,5R)-6-({2-cyclopropyl-6-hydroxy-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,9,12,14-heptaen-10-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H22N4O8 (458.1437572)

3-Hydroxynevirapine glucuronide is a metabolite of nevirapine. Nevirapine, also marketed under the trade name Viramune, is a non-nucleoside reverse transcriptase inhibitor (NNRTI) used to treat HIV-1 infection and AIDS. As with other antiretroviral drugs, HIV rapidly develops resistance if nevirapine is used alone, so recommended therapy consists of combinations of three or more antiretrovirals. (Wikipedia)

8-Hydroxynevirapine glucuronide

(2R,3R,4R,5S,6R)-6-({2-cyclopropyl-7-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H22N4O8 (458.1437572)

8-Hydroxynevirapine glucuronide is a metabolite of nevirapine. Nevirapine, also marketed under the trade name Viramune, is a non-nucleoside reverse transcriptase inhibitor (NNRTI) used to treat HIV-1 infection and AIDS. As with other antiretroviral drugs, HIV rapidly develops resistance if nevirapine is used alone, so recommended therapy consists of combinations of three or more antiretrovirals. (Wikipedia)

Fluprostenol

7-(3,5-dihydroxy-2-{3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-en-1-yl}cyclopentyl)hept-5-enoic acid

C23H29F3O6 (458.191613)

Iodofiltic Acid

15-(4-iodophenyl)-3-methylpentadecanoic acid

C22H35IO2 (458.168168)

Lignan

ethyl 6,7-dimethoxy-3-methyl-4-oxo-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate

C25H30O8 (458.194058)

Lorglumide

4-{[(3,4-dichlorophenyl)(hydroxy)methylidene]amino}-4-(dipentylcarbamoyl)butanoic acid

C22H32Cl2N2O4 (458.1739012)

D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent

7-[2,5-Dihydroxy-2-[3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid

7-(2,5-dihydroxy-2-{3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-en-1-yl}cyclopentyl)hept-5-enoic acid

C23H29F3O6 (458.191613)

10,14-Dihydroxy-11-methoxy-3,3-dimethyl-12-(3-methyl-2-butenyl)-[1]benzopyrano[5,6-b]xanthen-13(3H)-one

2,18-dihydroxy-19-methoxy-7,7-dimethyl-20-(3-methylbut-2-en-1-yl)-8,15-dioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1,3(12),4(9),5,10,13,16,18,20-nonaen-22-one

C28H26O6 (458.17292960000003)

MulberrosideC

(2S,3R,4S,5R)-2-[3-hydroxy-5-(6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl)phenoxy]oxane-3,4,5-triol

C24H26O9 (458.15767460000006)

Mulberroside C is a natural product found in Morus lhou, Morus wittiorum, and Morus alba with data available. Mulberroside C is one of the main bioactive constituents in mulberry (Morus alba L.)[1]. Mulberroside C is a HCV replicon inhibitor. Antiviral activity[2]. Mulberroside C is one of the main bioactive constituents in mulberry (Morus alba L.)[1]. Mulberroside C is a HCV replicon inhibitor. Antiviral activity[2].

6)-beta-D-glucopyranoside

4-Allyl-2-methoxyphenyl 6-O-beta-D-apiofuranosyl-(1-

C21H30O11 (458.178803)

Pericomin

C25H30O8 (458.194058)

Isopericomin

C25H30O8 (458.194058)

Ganbajunin F

C27H22O7 (458.1365462)

Ganbajunin G

C27H22O7 (458.1365462)

7-Hydroxy-5,4-dimethoxy-8-methylisoflavone 7-O-rhamnoside

C24H26O9 (458.15767460000006)

2-O-Acetylfrangulin A

C23H22O10 (458.1212912)

Zinaflorin I

C25H30O8 (458.194058)

Rhododendroketoside

C21H30O11 (458.178803)

[3aS-[3aR,4R,5S(Z),6S,10Z,11aS*]]-2,3,3a,4,5,6,7,11a-Octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-4-[(2-methyl-1-oxo-2-propenyl)oxy]-2,7-dioxo-6,9-epoxycyclodeca[b]furan-5-yl ester 2-methyl-2-butenoic acid

[3aS-[3aR*,4R*,5S*(Z),6S*,10Z,11aS*]]-2,3,3a,4,5,6,7,11a-Octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-4-[(2-methyl-1-oxo-2-propenyl)oxy]-2,7-dioxo-6,9-epoxycyclodeca[b]furan-5-yl ester 2-methyl-2-butenoic acid

C24H26O9 (458.15767460000006)

[3aS-(3aR,4R,5S,6S,10Z,11aS*)]-2,3,3a,4,5,6,7,11a-Octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-4-[(2-methyl-1-oxo-2-propenyl)oxy]-2,7-dioxo-6,9-epoxycyclodeca[b]furan-5-yl ester 3-methyl-2-butenoic acid

[3aS-(3aR*,4R*,5S*,6S*,10Z,11aS*)]-2,3,3a,4,5,6,7,11a-Octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-4-[(2-methyl-1-oxo-2-propenyl)oxy]-2,7-dioxo-6,9-epoxycyclodeca[b]furan-5-yl ester 3-methyl-2-butenoic acid

C24H26O9 (458.15767460000006)

Chrysin 7-(4-acetylglucoside)

7-[(4-O-Acetyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-phenyl-4H-1-benzopyran-4-one

C23H22O10 (458.1212912)

CJ 13357

C23H26N2O8 (458.1689076)

Linichlorin C

C21H27ClO9 (458.1343522000001)

Kopsimaline B

C23H26N2O8 (458.1689076)

6-O-Acetyldaidzin

7- (6-O-Acetyl-beta-D-glucopyranosyloxy) -3- (4-hydroxyphenyl) -4H-1-benzopyran-4-one

C23H22O10 (458.1212912)

15(S)-Fluprostenol

9α,11α,15S-trihydroxy-16-(3-(trifuloromethyl)phenoxy)-17,18,19,20-tetranor-prosta-5Z,13E-dien-1-oic acid

C23H29F3O6 (458.191613)

MCULE-2632009995

C21H26N6O2S2 (458.1558576)

TNP00227

C23H22O10 (458.1212912)

MMV595321

C21H26N6O4S (458.17361560000006)

CHEMBL4535129

C24H25F3N4O2 (458.19295059999996)

dihydrochelonanthoside

C21H30O11 (458.178803)

6,6,7,8-Tetra-Me ether,di-Ac-2,5,6,6,7,8-Hexahydroxyflavone

C23H22O10 (458.1212912)

8-O-beta-D-(6-O-acetyl)glucopyranosyl-chrysophanol|8-O-??-D-(6-O-Acetyl)glucopyranosylchrysophanol|chrysophanol-8-O-beta-D-(6-O-acetyl)glucopyranoside|emodin-8-O-beta-D-((6)-O-acetyl)glucopyranoside

C23H22O10 (458.1212912)

14,14-dihydroxyperrottetin E

C28H26O6 (458.17292960000003)

bipinnatin d

C24H26O9 (458.15767460000006)

Dihydroprasanthaline

C25H30O8 (458.194058)

Benzyl glycoside,2-Ac-beta-Pyranose-3-O-alpha-L-Rhamnopyranosyl-D-galactose

C21H30O11 (458.178803)

C28H26O6

C28H26O6 (458.17292960000003)

Penstanid|Peustonid

C21H30O11 (458.178803)

alpha-D-Glcp-(1->4)-6-O-(1-L-maloyl)-alpha/beta-D-Glcp|veracylglucan B

C16H26O15 (458.1271646)

SCHEMBL14007412

C24H26O9 (458.15767460000006)

6-acetoxy-1-hydroxy-2-methylanthraquinone-3-O-alpha-L-rhamnopyranoside|rubiacordone A

C23H22O10 (458.1212912)

(Z)-1-O-p-Coumaroyl-beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranose

C20H26O12 (458.14241960000004)

aspernolide D

C24H26O9 (458.15767460000006)

8,9-Dihydro,8-hydroxy-Exiguaflavanone D|exiguaflavanone M

C25H30O8 (458.194058)

3,4,5,7-tetrahydroxy-6-[7-hydroxy-3,7-dimethyl-2(E)-octenyl]flavanone

C25H30O8 (458.194058)

8beta-<5-(4-hydroxytigloyl)-4-hydroxytigloyloxy>-kauniolide|8beta-[5-(4-hydroxytigloyl)-4-hydroxytigloyloxy]-kauniolide

C25H30O8 (458.194058)

8beta-<5-<4,5-dihydroxytigloyloxy>-tigloyloxy>-kauniolide|8beta-[5-(4,5-dihydroxytigloyloxy)-tigloyloxy]-kauniolide

C25H30O8 (458.194058)

Gymnasterkoreaside B

C21H30O11 (458.178803)

Tricoccin S 36

C25H30O8 (458.194058)

Tricoccin S 24

C25H30O8 (458.194058)

rel-5-(3S,8S-dihydroxy-1R,5S-dimethyl-7-oxa-6-oxobicyclo[3,2,1]oct-8-yl)-3-methyl-2Z,4E-pentadienoic acid 3-O-beta-D-glucopyranoside

C21H30O11 (458.178803)

benzosceptrin A

C22H22N10O2 (458.19271119999996)

1-O-(6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl)-2-hydroxy-4-allylbenzene|3,4-Dihydroxyallylbenzene 4-O-[??-L-rhamnopyranosyl-(1鈥樏傗垎6)]-??-D-glucopyranoside|demethyleugenol beta-rutinoside

1-O-(6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl)-2-hydroxy-4-allylbenzene|3,4-Dihydroxyallylbenzene 4-O-[??-L-rhamnopyranosyl-(1鈥樏傗垎6)]-??-D-glucopyranoside|demethyleugenol beta-rutinoside

C21H30O11 (458.178803)

Peuarenin

C24H26O9 (458.15767460000006)

Origin: Plant, Coumarins

11-hydroxysulfurmycinone

C23H22O10 (458.1212912)

2-methoxy-5-(E)-propenyl-phenol-beta-vicianoside

C21H30O11 (458.178803)

3-O-acetylfrangulin

C23H22O10 (458.1212912)

7-O-tigloylsecologanolic acid

C21H30O11 (458.178803)

Ligustrin-<5-O-(4-hydroxytigloyl)-4-hydroxy>-sarracinate|Ligustrin-[5-O-(4-hydroxytigloyl)-4-hydroxy]-sarracinate

C25H30O8 (458.194058)

Glomelliferic acid

C25H30O8 (458.194058)

(1R,2S,4S,5S,6R,7R,9S,10S)-1,9,15-triacetoxy-2,4,6-trihydroxy-8-oxodihydro-beta-agarofuran

C21H30O11 (458.178803)

5-methyl-wogonin-7-glucuronide

C23H22O10 (458.1212912)

(2E)-2-decene-4,6-diyne-1,8-diol 8-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|(2E)-2-Decene-4,6-diyne-1,8-diol 8-O-??-D-apiofuranosyl-(1鈥樏傗垎6)-??-D-glucopyranoside

C21H30O11 (458.178803)

C17H30O14

C17H30O14 (458.163548)

<2-O-(trans-feruloyl)-alpha-L-arabinofuranosyl>-(1->5)-L-arabinofuranose|O-(2-O-trans-feruloyl-alpha-L-arabinofuranosyl)-(1<>5)-alpha-L-arabinofuranose|O-(2-O-trans-feruloyl-alpha-L-arabinofuranosyl)-(1[]5)-alpha-L-arabinofuranose|O-[2-O-(trans-feruloyl)-alpha-L-arabinofuranosyl]-(1-5)-L-arabinofuranose

<2-O-(trans-feruloyl)-alpha-L-arabinofuranosyl>-(1->5)-L-arabinofuranose|O-(2-O-trans-feruloyl-alpha-L-arabinofuranosyl)-(1<*>5)-alpha-L-arabinofuranose|O-(2-O-trans-feruloyl-alpha-L-arabinofuranosyl)-(1[*]5)-alpha-L-arabinofuranose|O-[2-O-(trans-feruloyl)-alpha-L-arabinofuranosyl]-(1-5)-L-arabinofuranose

C20H26O12 (458.14241960000004)

Tricoccin S27

C25H30O8 (458.194058)

8beta-4-hydroxy-5-(tigloyloxy)-tigloyloxy-4beta,15-dihydro-3-dehydrozaluzanin C

C25H30O8 (458.194058)

22-alpha-D-Glucuronopyranosylxylobiose

C16H26O15 (458.1271646)

desacetoxyzuubergenin-8beta-4-hydroxy-5-(5-hydroxysarracinoyl)-tiglate

C25H30O8 (458.194058)

4-N-Demththyl-4-N-ethyloxytetracycline-5-Deoxy

C23H26N2O8 (458.1689076)

C25H30O8

C25H30O8 (458.194058)

epicoccin K

C20H30N2O6S2 (458.15452)

7-O-beta-D-[(6-acetyl)glucopyranosyl]chrysin|chrysin 7-(6-O-acetyl)-O-beta-D-glucopyranoside

C23H22O10 (458.1212912)

rhaposerin|rhaposerine

C21H27ClO9 (458.1343522000001)

patagonic acid

C25H30O8 (458.194058)

8beta-5-(5-hydroxytigloyloxy)-tigloyloxy-3-dehydro-4beta,15-dihydro-zaluzanin C|8beta-5-<5-hydroxytigloyloxy>-tigloyloxy-3-dehydro-4beta,15-dihydro-zaluzanin C

C25H30O8 (458.194058)

C23H22O10

C23H22O10 (458.1212912)

C27H22O7

C27H22O7 (458.1365462)

4-allyl-2-methoxyphenyl 6-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|4-allyl-2-methoxyphenyl-O-beta-D-apiosyl-(1->6)-beta-D-glucopyranoside

C21H30O11 (458.178803)

Mallopallidol

C25H30O8 (458.194058)

2-O-<5-O-(trans-feruloyl)-beta-L-arabinofuranosyl>-D-xylopyranose|2-O-[5-O-(trans-feruloyl)-beta-L-arabinofuranosyl]-D-xylopyranose

C20H26O12 (458.14241960000004)

Durantin C

C23H22O10 (458.1212912)

Regaloside E

C20H26O12 (458.14241960000004)

C20H26O12

C20H26O12 (458.14241960000004)

15-chlorotajixanthone hydrate

C25H27ClO6 (458.14960720000005)

16-chlorotajixanthone

C25H27ClO6 (458.14960720000005)

rupesin B

C22H31ClO8 (458.1707356)

1-O-(2-methoxy-4-acetylphenyl)-6-O-(E-cinnamoyl)-beta-D-glucopyranoside|scrophuloside C

C24H26O9 (458.15767460000006)

methyl 3-O-beta-D-glucopyranosyl-6?-O-caffeoyl-(3R)-4-hydroxybutanoate

C20H26O12 (458.14241960000004)

tomentodiplacone C

C24H26O9 (458.15767460000006)

C16H26O15

C16H26O15 (458.1271646)

MCULE-4696588422

C21H30O11 (458.178803)

(6-cis-p-coumaroyl)-3-O-beta-D-glucopyranosyl-2-deoxy-D-ribonic acid

C20H26O12 (458.14241960000004)

4-O-benzoylchlorogenic acid|mumeic acid-A

C23H22O10 (458.1212912)

luteusin E

C25H27ClO6 (458.14960720000005)

4-Allyl-2-methoxyphenyl 6-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside

C21H30O11 (458.178803)

10,10-Dihydroxyperrottetin E

C28H26O6 (458.17292960000003)

4-methoxy-cinnamyl-(6-O-alpha-L-arabinopyranosyl)-O-beta-D-glucopyranoside|4-methoxycinnamyl 6-O-(alpha-L-arabinopyranosyl)-beta-D-glucopyranoside

C21H30O11 (458.178803)

C24H26O9

C24H26O9 (458.15767460000006)

CHEMBL462316

C23H22O10 (458.1212912)

Di-Ac-Eupatoretin

C23H22O10 (458.1212912)

1-(beta-D-glucopyranosyloxybenzyl)-2-hydroxy-2-isopropyl-malate methyl ester

C21H30O11 (458.178803)

Interruptin G

C27H22O7 (458.1365462)

glucofuraneol tetraacetate

C20H26O12 (458.14241960000004)

piperchabaoside A|trans-cinnamyl alcohol O-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside

C21H30O11 (458.178803)

NSC329501

C24H26O9 (458.15767460000006)

Perrottetin H

C28H26O6 (458.17292960000003)

Lasiocarpin C

C23H22O10 (458.1212912)

1,6-dihydroxy-7-methoxy-8-(3-methyl-2-butenyl)-2,2-dimethylchromeno[5,6:2,3]xanthone

C28H26O6 (458.17292960000003)

5-O-[(E)-feruloyl]-O-[beta-D-xylopyranosyl-(1->2)]-L-arabinofuranose|beta-D-xylopyranosyl-(1->2)-5-O-trans-feruloyl-L-arabinofuranose

C20H26O12 (458.14241960000004)

Bazzanin S

C28H23ClO4 (458.12847880000004)

1-(4-beta-D-glucopyranosyloxybenzyl)-(2R)-2-isobutylmalate|4-{{[(2R)-2-(carboxymethyl)-2-hydroxy-4-methyl-1-oxopentyl]oxy}methyl}phnyl beta-D-glucopyranoside|gymnoside I

C21H30O11 (458.178803)

17-dihydro-17-hydroxy-18-chlorovernonataloide

C21H27ClO9 (458.1343522000001)

4-(4-beta-D-glucopyranosyloxybenzyl)-(2R)-2-isobutylmalanate|4-{{[(3R)-3-carboxy-3-hydroxy-5-methyl-1-oxohexyl]oxy}methyl}phenyl beta-D- glucopyranoside|gymnoside II

C21H30O11 (458.178803)

6-trans-<2-O-(alpha-rhamnopyranosyl)>-ethenyl-5,7,4-trihydroxyflavone|drymariatin A

C23H22O10 (458.1212912)

5-[2,3-epoxy-3-methylbutyl]-3-O-beta-D-xylopyranosyl-6,5-dihydroxy-2-phenylbenzofuran|moracinoside M

C24H26O9 (458.15767460000006)

Tyr Asn Tyr

C22H26N4O7 (458.1801406)

Tyr Tyr Asn

C22H26N4O7 (458.1801406)

Asn Tyr Tyr

C22H26N4O7 (458.1801406)

His Thr Ser Asp

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]butanedioic acid

C17H26N6O9 (458.1761186)

(±)-Phrymarolin II

[(3R,3aS,6S,6aR)-3-(1,3-benzodioxol-5-yloxy)-6-(6-methoxy-1,3-benzodioxol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl] acetate

C23H22O10 (458.1212912)

Geoside

(2S,3R,4S,5S,6R)-2-(4-Allyl-2-methoxyphenoxy)-6-((((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3,4,5-triol

C21H30O11 (458.178803)

Geoside is a natural product found in Salacia chinensis, Rhodiola rosea, and other organisms with data available.

5-(6-acetyloxy-3,5,7-trimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl acetate

C23H22O10 (458.1212912)

relative retention time with respect to 9-anthracene Carboxylic Acid is 1.247 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.248

2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol

NCGC00380568-01!2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol

C21H30O11 (458.178803)

C24H26O9

NCGC00380783-01_C24H26O9_

C24H26O9 (458.15767460000006)

Raltitrexed

C21H22N4O6S (458.1259992)

L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BA - Folic acid analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2021 - Thymidylate Synthase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents

MMV687180

C24H25N4O2F3 (458.19295059999996)

Deoxynivalenol 3-glucoside

3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8-oxaspiro[oxirane-2,12-tricyclo[7.2.1.0^{2,7}]dodecan]-5-en-4-one

C21H30O11 (458.178803)

D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Reference Standard (Level 1)

Isoflavone base + 2O, O-AcetylHex

C23H22O10 (458.1212912)

Annotation level-3

Ala Cys Cys Tyr

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

C18H26N4O6S2 (458.1293696)

Ala Cys Glu His

(4S)-4-[(2R)-2-[(2S)-2-aminopropanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C17H26N6O7S (458.15836060000004)

Ala Cys His Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-aminopropanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]pentanedioic acid

C17H26N6O7S (458.15836060000004)

Ala Cys Tyr Cys

(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-aminopropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C18H26N4O6S2 (458.1293696)

Ala Glu Cys His

(4S)-4-[(2S)-2-aminopropanamido]-4-{[(1R)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C17H26N6O7S (458.15836060000004)

Ala Glu His Cys

(4S)-4-[(2S)-2-aminopropanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C17H26N6O7S (458.15836060000004)

Ala His Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]pentanedioic acid

C17H26N6O7S (458.15836060000004)

Ala His Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-aminopropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C17H26N6O7S (458.15836060000004)

Ala Tyr Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C18H26N4O6S2 (458.1293696)

Cys Ala Cys Tyr

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

C18H26N4O6S2 (458.1293696)

Cys Ala Glu His

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

C17H26N6O7S (458.15836060000004)

Cys Ala His Glu

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

C17H26N6O7S (458.15836060000004)

Cys Ala Tyr Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C18H26N4O6S2 (458.1293696)

Cys Cys Ala Tyr

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

C18H26N4O6S2 (458.1293696)

Cys Cys Phe Ser

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

C18H26N4O6S2 (458.1293696)

Cys Cys His Pro

(2S)-1-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid

C17H26N6O5S2 (458.1406026)

Cys Cys Pro His

(2S)-2-{[(2S)-1-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanoic acid

C17H26N6O5S2 (458.1406026)

Cys Cys Ser Phe

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

C18H26N4O6S2 (458.1293696)

Cys Cys Tyr Ala

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

C18H26N4O6S2 (458.1293696)

Cys Glu Ala His

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

C17H26N6O7S (458.15836060000004)

Cys Glu His Ala

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C17H26N6O7S (458.15836060000004)

Cys Phe Cys Ser

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

C18H26N4O6S2 (458.1293696)

Cys Phe Ser Cys

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

C18H26N4O6S2 (458.1293696)

Cys His Ala Glu

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

C17H26N6O7S (458.15836060000004)

Cys His Cys Pro

(2S)-1-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

C17H26N6O5S2 (458.1406026)

Cys His Glu Ala

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-{[(1S)-1-carboxyethyl]carbamoyl}butanoic acid

C17H26N6O7S (458.15836060000004)

Cys His Pro Cys

(2R)-2-{[(2S)-1-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid

C17H26N6O5S2 (458.1406026)

Cys Pro Cys His

(2S)-2-[(2R)-2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C17H26N6O5S2 (458.1406026)

Cys Pro His Cys

(2R)-2-[(2S)-2-{[(2S)-1-[(2R)-2-amino-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoic acid

C17H26N6O5S2 (458.1406026)

Cys Ser Cys Phe

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

C18H26N4O6S2 (458.1293696)

Cys Ser Phe Cys

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

C18H26N4O6S2 (458.1293696)

Cys Ser Ser Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanoic acid

C18H26N4O8S (458.14712760000003)

Cys Ser Tyr Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanoic acid

C18H26N4O8S (458.14712760000003)

Cys Tyr Ala Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]-3-sulfanylpropanoic acid

C18H26N4O6S2 (458.1293696)

Cys Tyr Cys Ala

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

C18H26N4O6S2 (458.1293696)

Cys Tyr Ser Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-hydroxypropanoic acid

C18H26N4O8S (458.14712760000003)

Asp Gly His Met

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-carboxypropanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C17H26N6O7S (458.15836060000004)

Asp Gly Met His

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

C17H26N6O7S (458.15836060000004)

Asp His Gly Met

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanamido]acetamido}-4-(methylsulfanyl)butanoic acid

C17H26N6O7S (458.15836060000004)

Asp His Met Gly

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-[(carboxymethyl)carbamoyl]-3-(methylsulfanyl)propyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C17H26N6O7S (458.15836060000004)

Asp His Ser Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-hydroxybutanoic acid

C17H26N6O9 (458.1761186)

Asp His Thr Ser

(3S)-3-amino-3-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C17H26N6O9 (458.1761186)

Asp Met Gly His

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

C17H26N6O7S (458.15836060000004)

Asp Met His Gly

(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C17H26N6O7S (458.15836060000004)

Asp Met Pro Pro

(2S)-1-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carboxylic acid

C19H30N4O7S (458.183511)

Asp Asn Asn Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carbamoylpropanamido]-3-carbamoylpropanoyl]pyrrolidine-2-carboxylic acid

C17H26N6O9 (458.1761186)

Asp Asn Pro Asn

(3S)-3-amino-3-{[(2S)-3-carbamoyl-1-[(2S)-2-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}propanoic acid

C17H26N6O9 (458.1761186)

Asp Pro Met Pro

(2S)-1-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

C19H30N4O7S (458.183511)

Asp Pro Asn Asn

(3S)-3-amino-4-[(2S)-2-{[(1S)-2-carbamoyl-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}ethyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid

C17H26N6O9 (458.1761186)

Asp Pro Pro Met

(3S)-3-amino-4-[(2S)-2-{[(2S)-2-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}pyrrolidin-1-yl]carbonyl}pyrrolidin-1-yl]-4-oxobutanoic acid

C19H30N4O7S (458.183511)

Asp Ser His Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanoic acid

C17H26N6O9 (458.1761186)

Asp Ser Thr His

(3S)-3-amino-3-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid

C17H26N6O9 (458.1761186)

Asp Thr His Ser

(3S)-3-amino-3-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanoic acid

C17H26N6O9 (458.1761186)

Asp Thr Ser His

(3S)-3-amino-3-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanoic acid

C17H26N6O9 (458.1761186)

Glu Ala Cys His

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

C17H26N6O7S (458.15836060000004)

Glu Ala His Cys

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

C17H26N6O7S (458.15836060000004)

Glu Cys Ala His

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

C17H26N6O7S (458.15836060000004)

Glu Cys His Ala

(4S)-4-amino-4-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C17H26N6O7S (458.15836060000004)

Glu His Ala Cys

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

C17H26N6O7S (458.15836060000004)

Glu His Cys Ala

(4S)-4-amino-4-{[(1S)-1-{[(1R)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid

C17H26N6O7S (458.15836060000004)

Glu His Ser Ser

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

C17H26N6O9 (458.1761186)

Glu Ser His Ser

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

C17H26N6O9 (458.1761186)

Glu Ser Ser His

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

C17H26N6O9 (458.1761186)

Phe Cys Cys Ser

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

C18H26N4O6S2 (458.1293696)

Phe Cys Ser Cys

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

C18H26N4O6S2 (458.1293696)

Phe Ser Cys Cys

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

C18H26N4O6S2 (458.1293696)

Gly Asp His Met

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C17H26N6O7S (458.15836060000004)

Gly Asp Met His

(3S)-3-(2-aminoacetamido)-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C17H26N6O7S (458.15836060000004)

Gly Gly Tyr Tyr

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

C22H26N4O7 (458.1801406)

Gly His Asp Met

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanoic acid

C17H26N6O7S (458.15836060000004)

Gly His Met Asp

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]butanedioic acid

C17H26N6O7S (458.15836060000004)

Gly Met Asp His

(3S)-3-[(2S)-2-(2-aminoacetamido)-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C17H26N6O7S (458.15836060000004)

Gly Met His Asp

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]butanedioic acid

C17H26N6O7S (458.15836060000004)

Gly Tyr Gly Tyr

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

C22H26N4O7 (458.1801406)

Gly Tyr Tyr Gly

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

C22H26N4O7 (458.1801406)

His Ala Cys Glu

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

C17H26N6O7S (458.15836060000004)

His Ala Glu Cys

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

C17H26N6O7S (458.15836060000004)

His Cys Ala Glu

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

C17H26N6O7S (458.15836060000004)

His Cys Cys Pro

(2S)-1-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid

C17H26N6O5S2 (458.1406026)

His Cys Glu Ala

(4S)-4-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxyethyl]carbamoyl}butanoic acid

C17H26N6O7S (458.15836060000004)

His Cys Pro Cys

(2R)-2-{[(2S)-1-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanoic acid

C17H26N6O5S2 (458.1406026)

His Asp Gly Met

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]acetamido}-4-(methylsulfanyl)butanoic acid

C17H26N6O7S (458.15836060000004)

His Asp Met Gly

(3S)-3-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-{[(1S)-1-[(carboxymethyl)carbamoyl]-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid

C17H26N6O7S (458.15836060000004)

His Asp Ser Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]-3-hydroxypropanamido]-3-hydroxybutanoic acid

C17H26N6O9 (458.1761186)

His Asp Thr Ser

(3S)-3-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-{[(1S,2R)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanoic acid

C17H26N6O9 (458.1761186)

His Glu Ala Cys

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

C17H26N6O7S (458.15836060000004)

His Glu Cys Ala

(4S)-4-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-{[(1R)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C17H26N6O7S (458.15836060000004)

His Glu Ser Ser

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

C17H26N6O9 (458.1761186)

His Gly Asp Met

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-carboxypropanamido]-4-(methylsulfanyl)butanoic acid

C17H26N6O7S (458.15836060000004)

His Gly Met Asp

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]acetamido}-4-(methylsulfanyl)butanamido]butanedioic acid

C17H26N6O7S (458.15836060000004)

His Met Asp Gly

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-[(carboxymethyl)carbamoyl]propanoic acid

C17H26N6O7S (458.15836060000004)

His Met Gly Asp

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]acetamido}butanedioic acid

C17H26N6O7S (458.15836060000004)

His Pro Cys Cys

(2R)-2-[(2R)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C17H26N6O5S2 (458.1406026)

His Ser Asp Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-carboxypropanamido]-3-hydroxybutanoic acid

C17H26N6O9 (458.1761186)

His Ser Glu Ser

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

C17H26N6O9 (458.1761186)

His Ser Ser Glu

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

C17H26N6O9 (458.1761186)

His Ser Thr Asp

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]butanedioic acid

C17H26N6O9 (458.1761186)

His Thr Asp Ser

(3S)-3-[(2S,3R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanamido]-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propanoic acid

C17H26N6O9 (458.1761186)

Met Asp Gly His

(3S)-3-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-[({[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}methyl)carbamoyl]propanoic acid

C17H26N6O7S (458.15836060000004)

Met Asp His Gly

(3S)-3-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C17H26N6O7S (458.15836060000004)

Met Asp Pro Pro

(2S)-1-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carboxylic acid

C19H30N4O7S (458.183511)

Met Gly Asp His

(3S)-3-{2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]acetamido}-3-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C17H26N6O7S (458.15836060000004)

Met Gly His Asp

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]butanedioic acid

C17H26N6O7S (458.15836060000004)

Met His Asp Gly

(3S)-3-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-[(carboxymethyl)carbamoyl]propanoic acid

C17H26N6O7S (458.15836060000004)

Met His Gly Asp

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]acetamido}butanedioic acid

C17H26N6O7S (458.15836060000004)

Met Pro Asp Pro

(2S)-1-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

C19H30N4O7S (458.183511)

Met Pro Pro Asp

(2S)-2-{[(2S)-1-{[(2S)-1-[(2S)-2-amino-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}butanedioic acid

C19H30N4O7S (458.183511)

Asn Asp Asn Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carboxypropanamido]-3-carbamoylpropanoyl]pyrrolidine-2-carboxylic acid

C17H26N6O9 (458.1761186)

Asn Asp Pro Asn

(3S)-3-[(2S)-2-amino-3-carbamoylpropanamido]-4-[(2S)-2-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid

C17H26N6O9 (458.1761186)

Asn Asn Asp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

C17H26N6O9 (458.1761186)

Asn Asn Pro Asp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

C17H26N6O9 (458.1761186)

Asn Pro Asp Asn

(3S)-3-{[(2S)-1-[(2S)-2-amino-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}propanoic acid

C17H26N6O9 (458.1761186)

Asn Pro Asn Asp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanamido]butanedioic acid

C17H26N6O9 (458.1761186)

Pro Cys Cys His

(2S)-3-(1H-imidazol-4-yl)-2-[(2R)-2-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]propanoic acid

C17H26N6O5S2 (458.1406026)

Pro Cys His Cys

(2R)-2-[(2S)-3-(1H-imidazol-4-yl)-2-[(2R)-2-[(2S)-pyrrolidin-2-ylformamido]-3-sulfanylpropanamido]propanamido]-3-sulfanylpropanoic acid

C17H26N6O5S2 (458.1406026)

Pro Asp Met Pro

(2S)-1-[(2S)-2-[(2S)-3-carboxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-4-(methylsulfanyl)butanoyl]pyrrolidine-2-carboxylic acid

C19H30N4O7S (458.183511)

Pro Asp Asn Asn

(3S)-3-{[(1S)-2-carbamoyl-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}ethyl]carbamoyl}-3-[(2S)-pyrrolidin-2-ylformamido]propanoic acid

C17H26N6O9 (458.1761186)

Pro Asp Pro Met

(2S)-2-{[(2S)-1-[(2S)-3-carboxy-2-[(2S)-pyrrolidin-2-ylformamido]propanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanoic acid

C19H30N4O7S (458.183511)

Pro His Cys Cys

(2R)-2-[(2R)-2-[(2S)-3-(1H-imidazol-4-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C17H26N6O5S2 (458.1406026)

Pro Met Asp Pro

(2S)-1-[(2S)-3-carboxy-2-[(2S)-4-(methylsulfanyl)-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]propanoyl]pyrrolidine-2-carboxylic acid

C19H30N4O7S (458.183511)

Pro Met Pro Asp

(2S)-2-{[(2S)-1-[(2S)-4-(methylsulfanyl)-2-[(2S)-pyrrolidin-2-ylformamido]butanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

C19H30N4O7S (458.183511)

Pro Asn Asp Asn

(3S)-3-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-3-[(2S)-3-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanoic acid

C17H26N6O9 (458.1761186)

Pro Asn Asn Asp

(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-3-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]butanedioic acid

C17H26N6O9 (458.1761186)

Pro Pro Asp Met

(2S)-2-[(2S)-3-carboxy-2-{[(2S)-1-{[(2S)-pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}propanamido]-4-(methylsulfanyl)butanoic acid

C19H30N4O7S (458.183511)

Pro Pro Met Asp

(2S)-2-[(2S)-4-(methylsulfanyl)-2-{[(2S)-1-{[(2S)-pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}butanamido]butanedioic acid

C19H30N4O7S (458.183511)

Ser Cys Cys Phe

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

C18H26N4O6S2 (458.1293696)

Ser Cys Phe Cys

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

C18H26N4O6S2 (458.1293696)

Ser Cys Ser Tyr

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanoic acid

C18H26N4O8S (458.14712760000003)

Ser Cys Tyr Ser

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanoic acid

C18H26N4O8S (458.14712760000003)

Ser Asp His Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanoic acid

C17H26N6O9 (458.1761186)

Ser Asp Thr His

(3S)-3-[(2S)-2-amino-3-hydroxypropanamido]-3-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanoic acid

C17H26N6O9 (458.1761186)

Ser Glu His Ser

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

C17H26N6O9 (458.1761186)

Ser Glu Ser His

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

C17H26N6O9 (458.1761186)

Ser Phe Cys Cys

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

C18H26N4O6S2 (458.1293696)

Ser His Asp Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]-3-hydroxybutanoic acid

C17H26N6O9 (458.1761186)

Ser His Glu Ser

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

C17H26N6O9 (458.1761186)

Ser His Ser Glu

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

C17H26N6O9 (458.1761186)

Ser His Thr Asp

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanamido]butanedioic acid

C17H26N6O9 (458.1761186)

Ser Ser Cys Tyr

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C18H26N4O8S (458.14712760000003)

Ser Ser Glu His

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

C17H26N6O9 (458.1761186)

Ser Ser His Glu

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

C17H26N6O9 (458.1761186)

Ser Ser Tyr Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C18H26N4O8S (458.14712760000003)

Ser Thr Asp His

(3S)-3-[(2S,3R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxybutanamido]-3-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C17H26N6O9 (458.1761186)

Ser Thr His Asp

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxybutanamido]-3-(1H-imidazol-4-yl)propanamido]butanedioic acid

C17H26N6O9 (458.1761186)

Ser Tyr Cys Ser

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C18H26N4O8S (458.14712760000003)

Ser Tyr Ser Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C18H26N4O8S (458.14712760000003)

Thr Asp His Ser

(3S)-3-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C17H26N6O9 (458.1761186)

Thr Asp Ser His

(3S)-3-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid

C17H26N6O9 (458.1761186)

Thr His Asp Ser

(3S)-3-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propanoic acid

C17H26N6O9 (458.1761186)

Thr His Ser Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]butanedioic acid

C17H26N6O9 (458.1761186)

Thr Ser Asp His

(3S)-3-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxypropanamido]-3-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C17H26N6O9 (458.1761186)

Thr Ser His Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]butanedioic acid

C17H26N6O9 (458.1761186)

Tyr Ala Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C18H26N4O6S2 (458.1293696)

Tyr Cys Ala Cys

(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]propanamido]-3-sulfanylpropanoic acid

C18H26N4O6S2 (458.1293696)

Tyr Cys Cys Ala

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

C18H26N4O6S2 (458.1293696)

Tyr Cys Ser Ser

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-hydroxypropanoic acid

C18H26N4O8S (458.14712760000003)

Tyr Gly Gly Tyr

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

C22H26N4O7 (458.1801406)

Tyr Gly Tyr Gly

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

C22H26N4O7 (458.1801406)

Tyr Ser Cys Ser

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C18H26N4O8S (458.14712760000003)

Tyr Ser Ser Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C18H26N4O8S (458.14712760000003)

Tyr Tyr Gly Gly

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

C22H26N4O7 (458.1801406)

fluprostenol

(+)-9α,11α,15R-trihydroxy-16-(3-(trifluoromethyl)phenoxy)-17,18,19,20-tetranor-prosta-5Z,13E-dien-1-oic acid

C23H29F3O6 (458.191613)

D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D012102 - Reproductive Control Agents > D008186 - Luteolytic Agents C78568 - Prostaglandin Analogue

5-trans Fluprostenol

9,11,15-trihydroxy-16-(3-(trifluoromethyl)phenoxy)-17,18,19,20-tetranor-prosta-5E,13E-dien-1-oic acid

C23H29F3O6 (458.191613)

Mitoxantrone monocarboxylic acid

C22H26N4O7 (458.1801406)

2'-(E)-Feruloyl-3-(arabinosylxylose)

4-hydroxy-5-(hydroxymethyl)-2-[(2,3,5-trihydroxyoxan-4-yl)oxy]oxolan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C20H26O12 (458.14241960000004)

6-o-acetyldaidzin

[6-[3-(4-Hydroxyphenyl)-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl ethanoate

C23H22O10 (458.1212912)

cis-p-Coumaric acid 4-[apiosyl-(1->2)-glucoside]

(2E)-3-{4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]phenyl}prop-2-enoic acid

C20H26O12 (458.14241960000004)

3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside]

2-{2-hydroxy-4-[(1E)-prop-1-en-1-yl]phenoxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triol

C21H30O11 (458.178803)

Eugenol O-[a-L-Arabinofuranosyl-(1->6)-b-D-glucopyranoside]

2-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]oxane-3,4,5-triol

C21H30O11 (458.178803)

Valechlorin

4-[(acetyloxy)methyl]-7-(chloromethyl)-7-hydroxy-1-[(3-methylbutanoyl)oxy]-1H,6H,7H,7aH-cyclopenta[c]pyran-6-yl 3-methylbutanoate

C22H31ClO8 (458.1707356)

a-L-Fucopyranosyl-(1->2)-b-D-galactopyranosyl-(1->2)-D-xylose

2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[(2,4,5-trihydroxyoxan-3-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C17H30O14 (458.163548)

7-Hydroxy-4-methylphthalide O-[arabinosyl-(1->6)-glucoside]

4-methyl-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-1,3-dihydro-2-benzofuran-1-one

C20H26O12 (458.14241960000004)

1,3-diisocyanato-2-methylbenzene,ethane-1,2-diol,hexanedioic acid,propane-1,2-diol

C20H30N2O10 (458.19003599999996)

Ethanaminium, N, N,N-triethyl-, (T-4)-tetrachloronickelate(2-) (2:1)

C16H40Cl4N2Ni (458.129891)

4-[(2-Amino-1,3-benzothiazol-6-yl)amino]-6-methyl-7-[2-(1-piperid inyl)ethoxy]-3-quinolinecarbonitrile

C25H26N6OS (458.18887060000003)

2-[(2-cyanoethyl)[p-[(p-nitrophenyl)azo]phenyl]amino]ethyl carbanilate

C24H22N6O4 (458.1702452)

[bis(4-amino-3,5-dimethylphenyl)-(2,6-dichlorophenyl)methoxy]boronic acid

C23H25BCl2N2O3 (458.133519)

1-(PERFLUOROHEXYL)DEC-1-ENE

C16H19F13 (458.12790899999993)

3,4,5-TRIMETHOXYCINNAMIC ACID ANHYDRIDE

C24H26O9 (458.15767460000006)

Methacryloxypropyltris(vinyldimethylsiloxy)silane

C19H38O5Si4 (458.1796218)

Phenolphthalein dibutyrate

C28H26O6 (458.17292960000003)

2-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-5-[(4-nitrophenyl)azo]thiophene-3-carbonitrile

C22H18N8O2S (458.12733679999997)

Cbz-Valacyclovir

C21H26N6O6 (458.1913736)

Tetradecamethylhexasiloxane

C14H42O5Si6 (458.1647762)

ethyl 6-fluoro-1-(4-fluorophenyl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate

C23H24F2N4O4 (458.1765528)

1,1,1,3,5,7,7,7-OCTAMETHYL-3,5-BIS(TRIM&

C14H42O5Si6 (458.1647762)

(S,S)-DIPAMP

C28H28O2P2 (458.1564448)

BMS-2

1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide

C25H16F2N4O3 (458.1190409999999)

[(1R,2S,3R,4R,5R,6S)-3-benzoyloxy-4-butanoyloxy-2,5,6-trihydroxycyclohexyl] benzoate

C24H26O9 (458.15767460000006)

ethane-1,2-diol,hexanedioic acid,1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene

C23H26N2O8 (458.1689076)

blasticidin s hydrochloride

C17H27ClN8O5 (458.1792842)

fmoc-pro-onp

C26H22N2O6 (458.1477792)

C.I. Basic Brown 4

C21H24Cl2N8 (458.15008839999996)

5-(diisopropylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium methyl sulphate

C18H30N6O4S2 (458.176986)

3,4-DI-O-ACETYL-1,2-O-ISOPROPYLIDENE-5-O-TOSYL-ALPHA-L-SORBOPYRANSE

C20H26O10S (458.1246616000001)

Canagliflozin Impurity 17

C24H23FO6S (458.119931)

(r,r)-dipamp

C28H28O2P2 (458.1564448)

POLY(STYRENE-CO-VINYLBENZYL CHLORIDE-CO-DIVINYLBENZENE)

C27H29Cl3 (458.1334724)

ethylene glycol bis[4-(2-fluorobenzoyl)phenyl] ether

C28H20F2O4 (458.13295840000006)

Sasanquin

C21H30O11 (458.178803)

8-Hydroxynevirapine glucuronide

C21H22N4O8 (458.1437572)

3-Deoxyoctulosonic acid disaccharide

C16H26O15 (458.1271646)

N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]-2-thiophenesulfonamide

C22H26N4O3S2 (458.1446246)

n-[(9-beta-d-Ribofuranosyl-2-methylthiopurin-6-yl)carbamoyl]threonine

C16H22N6O8S (458.1219772)

Lorglumide, (S)-

C22H32Cl2N2O4 (458.1739012)

Lorglumide, (R)-

C22H32Cl2N2O4 (458.1739012)

4-[2-(1,3-dioxo-2-benzo[de]isoquinolinyl)ethyl]-N-(4-methylphenyl)-1-piperazinecarbothioamide

C26H26N4O2S (458.1776376)

4-[[4-[(Z)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid

C26H22N2O6 (458.1477792)

4-[2-[[3-(4-Methylphenyl)-5-triazolo[1,5-a]quinazolinyl]amino]ethyl]benzenesulfonamide

C24H22N6O2S (458.1524872)

4-[(diethylamino)sulfonyl]-N-[1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide

C21H26N6O4S (458.17361560000006)

Trimethylsilyl 3,4,5-tris[(trimethylsilyl)oxy]benzoate

C19H38O5Si4 (458.1796218)

Iodofiltic acid (123I)

C22H35IO2 (458.168168)

C1446 - Radiopharmaceutical Compound > C2124 - Radioconjugate

4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide

C19H25F3N6O2S (458.1711706)

(2s,4s,5r)-1-(4-Tert-Butylbenzoyl)-2-Isobutyl-5-(1,3-Thiazol-2-Yl)pyrrolidine-2,4-Dicarboxylic Acid

C24H30N2O5S (458.18753300000003)

N-[Isoleucinyl]-N-[adenosyl]-diaminosufone

C16H26N8O6S (458.16959360000004)

5-(4-Phenoxyphenyl)-5-(4-Pyrimidin-2-Ylpiperazin-1-Yl)pyrimidine-2,4,6(2h,3h)-Trione

C24H22N6O4 (458.1702452)

(2S,3S)-2-amino-4-cyclopropyl-3-[(3R)-3-(2-fluoro-4-methylsulfonylphenyl)-1,2,4-oxadiazolidin-5-yl]-1-[(3S)-3-fluoropyrrolidin-1-yl]butan-1-one

C20H28F2N4O4S (458.1799232)

2-(Hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol

C21H30O11 (458.178803)

6-O-ACETYLDAIDZIN

[6-[3-(4-Hydroxyphenyl)-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl ethanoate

C23H22O10 (458.1212912)

(1S,4aS,11R,12R,12aR)-3-carbamoyl-1-(dimethylazaniumyl)-4a,7,11,12-tetrahydroxy-11-methyl-4,5,6-trioxo-1,4,4a,5,6,11,12,12a-octahydrotetracen-2-olate

C22H22N2O9 (458.13252420000003)

O-methyl-4-O-[alpha-L-rhamnopyranosyl-(1->3)-2-O-methyl-alpha-L-rhamnopyranosyl]-hydroxybenzoate

C21H30O11 (458.178803)

Deoxynortryptoquialanone

C25H22N4O5 (458.1590122)

2-Hydroxynevirapine glucuronide

C21H22N4O8 (458.1437572)

10,14-Dihydroxy-11-methoxy-3,3-dimethyl-12-(3-methyl-2-butenyl)-[1]benzopyrano[5,6-b]xanthen-13(3H)-one

C28H26O6 (458.17292960000003)

Travoprost-d4Acid

C23H29F3O6 (458.191613)

7-[2,5-Dihydroxy-2-[3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid

C23H29F3O6 (458.191613)

Chartaceone A3

C28H26O6 (458.17292960000003)

A chartaceone A with 2S, 5R-configuration.

Chartaceone A4

C28H26O6 (458.17292960000003)

A chartaceone A with 2S, 5S-configuration.

Src Inhibitor-5

C23H27ClN4O4 (458.17207320000006)

chartaceone A2

C28H26O6 (458.17292960000003)

A chartaceone A with 2R, 5S-configuration.

chartaceone A1

C28H26O6 (458.17292960000003)

A chartaceone A with 2R, 5R-configuration.

(+-)-chartaceone B

C28H26O6 (458.17292960000003)

A dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7 and a 6-carboxy-1-phenylhex-1-en-1-yl group at position 6. It has been isolated as a racemate from the bark of Cryptocarya chartacea.

6-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

C22H20F2N4O3S (458.12241140000003)

rac-(6E)-5-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-6-yl)-7-phenylhept-6-enoic acid

C28H26O6 (458.17292960000003)

Daidzein 6-O-acetate

C23H22O10 (458.1212912)

3-deoxy-8-O-(3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl)-alpha-D-manno-oct-2-ulopyranosonic acid

C16H26O15 (458.1271646)

4-[3-(2-Furanyl)-4-(3-nitrophenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoic acid ethyl ester

C24H18N4O6 (458.1226288)

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[2-[2-(4-morpholinyl)-2-oxoethyl]-1-benzimidazolyl]acetamide

C22H20F2N4O5 (458.14016940000005)

2-[[4-(4-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide

C26H26N4O2S (458.1776376)

4-(1,3-Dioxo-2-benzo[de]isoquinolinyl)butanoic acid [2-(2-acetylanilino)-2-oxoethyl] ester

C26H22N2O6 (458.1477792)

1-[2,5-Dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]ethanone

C22H26N4O3S2 (458.1446246)

2-[3-[(Z)-(3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]-2-methylindol-1-yl]acetamide

C26H26N4O2S (458.1776376)

11-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}-3-(2-methoxyethyl)-3,11-dihydro-4H-pyrimido[5,4:4,5]pyrrolo[2,3-b]quinoxalin-4-one

C24H22N6O4 (458.1702452)

N-(2,4-Difluorophenyl)-2-[2-methylimino-4-oxo-3-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]-1,3-thiazolidin-5-yl]acetamide

C22H20F2N4O3S (458.12241140000003)

N-[2-methyl-5-[oxo-[3-(1-oxoprop-2-enylamino)-5-(trifluoromethyl)anilino]methyl]phenyl]-5-isoxazolecarboxamide

C22H17F3N4O4 (458.1201838)

2-[(2R,4aS,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester

C23H26N2O6S (458.15114960000005)

(E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid

C23H29F3O6 (458.191613)

2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester

C23H26N2O6S (458.15114960000005)

N-[(2S,3R,6R)-6-[2-[(3,5-dichlorobenzoyl)amino]ethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide

C21H28Cl2N2O5 (458.1375178)

N-[(2R,3R,6S)-6-[2-[(3,5-dichlorobenzoyl)amino]ethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide

C21H28Cl2N2O5 (458.1375178)

N-[(2S,3R,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-methylbenzenesulfonamide

C24H30N2O5S (458.18753300000003)

N-[(2S,3S,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-methylbenzenesulfonamide

C24H30N2O5S (458.18753300000003)

N-[(2R,3R,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-4-methylbenzenesulfonamide

C24H30N2O5S (458.18753300000003)

2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide

C24H27FN2O6 (458.1853054)

2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxyacetyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide

C24H27FN2O6 (458.1853054)

2-[(2S,4aR,12aS)-8-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid

C23H23ClN2O6 (458.1244568)

2-[(2R,4aS,12aR)-8-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid

C23H23ClN2O6 (458.1244568)

methyl 2-[(2R,4aR,12aR)-5-methyl-6-oxo-8-[(2-thiophen-2-ylacetyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetate

C23H26N2O6S (458.15114960000005)

N-[(2S,3R,6S)-6-[2-[[(3,5-dichlorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide

C21H28Cl2N2O5 (458.1375178)

N-[(2R,3S,6R)-6-[2-[[(3,5-dichlorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide

C21H28Cl2N2O5 (458.1375178)

N-[(2R,3R,6R)-6-[2-[[(3,5-dichlorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide

C21H28Cl2N2O5 (458.1375178)

N-[(2R,3S,6S)-6-[2-[(3,5-dichlorobenzoyl)amino]ethyl]-2-(hydroxymethyl)oxan-3-yl]oxane-4-carboxamide

C21H28Cl2N2O5 (458.1375178)

N-[(2S,3S,6R)-6-[2-[[(3,5-dichlorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide

C21H28Cl2N2O5 (458.1375178)

N-[(2R,3S,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-methylbenzenesulfonamide

C24H30N2O5S (458.18753300000003)

N-[(2R,3S,6S)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-4-methylbenzenesulfonamide

C24H30N2O5S (458.18753300000003)

N-[(2R,3R,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-4-methylbenzenesulfonamide

C24H30N2O5S (458.18753300000003)

N-[(2S,3S,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-methylbenzenesulfonamide

C24H30N2O5S (458.18753300000003)

2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide

C24H27FN2O6 (458.1853054)

2-[(2R,4aR,12aS)-8-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid

C23H23ClN2O6 (458.1244568)

2-[(2S,4aS,12aS)-8-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid

C23H23ClN2O6 (458.1244568)

2-[(2R,4aR,12aR)-8-[(4-chlorobenzoyl)amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid

C23H23ClN2O6 (458.1244568)

methyl 2-[(2S,4aS,12aR)-5-methyl-6-oxo-8-[(2-thiophen-2-ylacetyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetate

C23H26N2O6S (458.15114960000005)

2-[(2R,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester

C23H26N2O6S (458.15114960000005)

methyl 2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[(2-thiophen-2-ylacetyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetate

C23H26N2O6S (458.15114960000005)

N-[(2S,3S,6S)-6-[2-[[(3,5-dichlorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide

C21H28Cl2N2O5 (458.1375178)

N-[(2S,3R,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-methylbenzenesulfonamide

C24H30N2O5S (458.18753300000003)

2-[(2S,4aR,12aR)-8-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid

C23H23ClN2O6 (458.1244568)

2-[(2S,4aS,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester

C23H26N2O6S (458.15114960000005)

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

C27H26N2O3S (458.1664046000001)

2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide

C24H27FN2O6 (458.1853054)

2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide

C24H27FN2O6 (458.1853054)

2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide

C24H27FN2O6 (458.1853054)

2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide

C24H27FN2O6 (458.1853054)

2-[(2S,4aS,12aR)-8-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid

C23H23ClN2O6 (458.1244568)

2-[(2R,4aS,12aS)-8-[[(4-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid

C23H23ClN2O6 (458.1244568)

2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester

C23H26N2O6S (458.15114960000005)

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

C27H26N2O3S (458.1664046000001)

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

C27H26N2O3S (458.1664046000001)

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

C27H26N2O3S (458.1664046000001)

[(3aS,4R,9bS)-4-(hydroxymethyl)-8-(2-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(1,3-benzodioxol-5-yl)methanone

C27H26N2O5 (458.18416260000004)

Tyr-Asn-Tyr

C22H26N4O7 (458.1801406)

Tyr-Tyr-Asn

C22H26N4O7 (458.1801406)

Asn-Tyr-Tyr

C22H26N4O7 (458.1801406)

methyl (1R,9S,10S,11S)-10-(hydroxymethyl)-12-(3-methylphenyl)sulfonyl-6-oxo-5-[(E)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylate

C23H26N2O6S (458.15114960000005)

methyl (1S,9R,10R,11R)-10-(hydroxymethyl)-12-(3-methylphenyl)sulfonyl-6-oxo-5-[(E)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylate

C23H26N2O6S (458.15114960000005)

(2E)-2-[(2-fluorophenyl)methylidene]-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one

C26H23FN4O3 (458.17540999999994)

Tcmdc-142691

C24H25F3N4O2 (458.19295059999996)

2,3,4-Trihydroxybenzoic acid, tetra-TMS

C19H38O5Si4 (458.1796218)

Trimethylsilyl 2,4,6-tris[(trimethylsilyl)oxy]benzoate

C19H38O5Si4 (458.1796218)

1-Deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2H-benzo[G]pteridin-1-ID-10(5H)-YL)-5-O-phosphonato-D-ribitol

C17H23N4O9P (458.12025980000004)

Tomudex

Raltitrexed

C21H22N4O6S (458.1259992)

lorglumide

C22H32Cl2N2O4 (458.1739012)

2-(2-Methoxy-4-prop-2-enylphenoxy)-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol

C21H30O11 (458.178803)

3-Hydroxynevirapine glucuronide

C21H22N4O8 (458.1437572)

2-(E)-Feruloyl-3-(arabinosylxylose)

C20H26O12 (458.14241960000004)

(+-)-chartaceone A

C28H26O6 (458.17292960000003)

A racemate composed of equimolar concentrations of chartaceone A1, A2, A3 and A4. It has been isolated from the barks of Cryptocarya chartacea.

chartaceone A

C28H26O6 (458.17292960000003)

A dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7 and a 6-carboxy-1-phenylhex-1-en-3-yl group at position 6.

5a,11a-dehydrooxytetracycline zwitterion

C22H22N2O9 (458.13252420000003)

A zwitterion obtained by transfer of a proton from the 2-hydroxy group to the adjacent tertiary amino group of 5a,11a-dehydrooxytetracycline; major species at pH 7.3.

FMNH2

C17H23N4O9P (458.12025980000004)

The reduced 1,5-dihydro form of flavin mononucleotide.

daidzein 7-(6-O-acetyl-beta-D-glucoside)

C23H22O10 (458.1212912)

A glycosyloxyisoflavone that is daidzein in which the phenolic hydrogen at position 7 has been replaced by a 6-O-acetyl-beta-D-glucosyl residue.

ST 20:4;O7;S

C20H26O10S (458.1246616000001)

ST 21:3;O6;S

C21H30O9S (458.16104500000006)

ST 25:7;O3;S

C25H30O6S (458.1763)

Camlipixant

C23H24F2N4O4 (458.1765528)

Camlipixant (BLU-5937) a potent, selective, non-competitive and orally active P2X3 homotrimeric receptor antagonist with an IC50 of 25 nM against hP2X3 homotrimeric. Camlipixant shows potent anti-tussive effect and no taste alteration. Camlipixant can be used for the research of unexplained, refractory chronic cough[1].

CC-90003

C22H21F3N6O2 (458.1678002)

CC-90003 is an irreversible and selective inhibitor of ERK 1/2 with antitumor activity.

Quinine (sulfate hydrate)

C20H30N2O8S (458.172278)

Quinine sulfate hydrate (2:1:4) is an orally active alkaloid extracted from cinchona bark and can be used in anti-malarial studies. Quinine sulfate hydrate (2:1:4) is a potassium channel inhibitor that inhibits WT mouse Slo3 (KCa5.1) channel currents evoked by voltage pulses to +100?mV with an IC50 of 169 μM[1][2].