Exact Mass: 458.1375

Exact Mass Matches: 458.1375

Found 500 metabolites which its exact mass value is equals to given mass value 458.1375, 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 (458.126)

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 (458.1203)

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 (458.1682)

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

5a,11a-Dehydrooxytetracycline

C22H22N2O9 (458.1325)

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 (458.1707)

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 (458.1788)

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 (458.1213)

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

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 (458.1788)

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 (458.1424)

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 (458.1635)

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 (458.1424)

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 (458.1424)

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 (458.1788)

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 (458.1788)

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 (458.1438)

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 (458.1438)

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 (458.1438)

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 (458.1438)

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)

Iodofiltic Acid

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

C22H35IO2 (458.1682)

Lorglumide

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

C22H32Cl2N2O4 (458.1739)

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

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 (458.1729)

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 (458.1577)

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 (458.1788)

Ganbajunin F

C27H22O7 (458.1365)

Ganbajunin G

C27H22O7 (458.1365)

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

C24H26O9 (458.1577)

2-O-Acetylfrangulin A

C23H22O10 (458.1213)

Rhododendroketoside

C21H30O11 (458.1788)

[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 (458.1577)

[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 (458.1577)

Chrysin 7-(4-acetylglucoside)

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

C23H22O10 (458.1213)

CJ 13357

C23H26N2O8 (458.1689)

Linichlorin C

C21H27ClO9 (458.1344)

Kopsimaline B

C23H26N2O8 (458.1689)

6-O-Acetyldaidzin

C21H30O11 (458.1788)

Peuarenin

C17H30O14

C17H30O14 (458.1635)

<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

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 (458.1761)

(±)-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 (458.1213)

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

C23H22O10 (458.1213)

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

Tianeptine sodium

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 (458.1471)

1H-Indole-3-acetic acid, 5-[[(methylamino)sulfonyl]methyl]- glucuronide

C18H22N2O10S (458.0995)

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 (458.1471)

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 (458.1471)

His-Phe4Cl-OH

(S)-2-(3-(2-(1H-imidazol-4-yl)ethoxy)-4-nitrobenzamido)-3-(4-chlorophenyl)propanoic acid

C21H19ClN4O6 (458.0993)

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 (458.1424)

6-o-acetyldaidzin

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

C23H22O10 (458.1213)

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 (458.1424)

Valechlorin

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

C22H31ClO8 (458.1707)

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 (458.1635)

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 (458.1424)

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

C16H40Cl4N2Ni (458.1299)

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

C24H22N6O4 (458.1702)

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

C23H25BCl2N2O3 (458.1335)

N-(2-fluorophenyl)-2-[4-methyl-5-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide

C20H19FN6O4S (458.1172)

1-(PERFLUOROHEXYL)DEC-1-ENE

C16H19F13 (458.1279)

3,4,5-TRIMETHOXYCINNAMIC ACID ANHYDRIDE

C24H26O9 (458.1577)

Phenolphthalein dibutyrate

C28H26O6 (458.1729)

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

C22H18N8O2S (458.1273)

Tetradecamethylhexasiloxane

C14H42O5Si6 (458.1648)

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

C23H24F2N4O4 (458.1766)

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

C14H42O5Si6 (458.1648)

(S,S)-DIPAMP

C28H28O2P2 (458.1564)

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 (458.119)

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

C24H26O9 (458.1577)

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

C23H26N2O8 (458.1689)

fmoc-pro-onp

C26H22N2O6 (458.1478)

C.I. Basic Brown 4

C21H24Cl2N8 (458.1501)

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

C18H30N6O4S2 (458.177)

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

C20H26O10S (458.1247)

Canagliflozin Impurity 17

C24H23FO6S (458.1199)

(r,r)-dipamp

C28H28O2P2 (458.1564)

(2S)-6-[(2-bromophenyl)methoxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

C19H27BrN2O6 (458.1052)

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

C27H29Cl3 (458.1335)

Triethylene glycol bis(p-toluenesulfonate)

C20H26O8S2 (458.1069)

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

C28H20F2O4 (458.133)

N-(6-{[3-(4-Bromophenyl)-1,2-benzisothiazol-6-YL]oxy}hexyl)-N-methylprop-2-EN-1-amine

C23H27BrN2OS (458.1027)

8-Hydroxynevirapine glucuronide

C21H22N4O8 (458.1438)

3-Deoxyoctulosonic acid disaccharide

C16H26O15 (458.1272)

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

C22H26N4O3S2 (458.1446)

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

C16H22N6O8S (458.122)

Lorglumide, (S)-

C22H32Cl2N2O4 (458.1739)

Lorglumide, (R)-

C22H32Cl2N2O4 (458.1739)

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

C26H26N4O2S (458.1776)

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

C26H22N2O6 (458.1478)

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

C24H22N6O2S (458.1525)

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

C21H26N6O4S (458.1736)

Iodofiltic acid (123I)

C22H35IO2 (458.1682)

C1446 - Radiopharmaceutical Compound > C2124 - Radioconjugate

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

C19H25F3N6O2S (458.1712)

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

C16H26N8O6S (458.1696)

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

C24H22N6O4 (458.1702)

6-O-ACETYLDAIDZIN

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

C23H22O10 (458.1213)

(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 (458.1325)

Deoxynortryptoquialanone

C25H22N4O5 (458.159)

2-Hydroxynevirapine glucuronide

C21H22N4O8 (458.1438)

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

C28H26O6 (458.1729)

Chartaceone A3

C28H26O6 (458.1729)

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

Chartaceone A4

C28H26O6 (458.1729)

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

Src Inhibitor-5

C23H27ClN4O4 (458.1721)

chartaceone A2

C28H26O6 (458.1729)

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

chartaceone A1

C28H26O6 (458.1729)

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

(+-)-chartaceone B

C21H22N4O6S (458.126)

lorglumide

C22H32Cl2N2O4 (458.1739)

3-Hydroxynevirapine glucuronide

C21H22N4O8 (458.1438)

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

C20H26O12 (458.1424)

(+-)-chartaceone A

C28H26O6 (458.1729)

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 (458.1729)

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 (458.1325)

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 (458.1203)

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

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

C23H22O10 (458.1213)

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 (458.1247)

ST 21:3;O6;S

C21H30O9S (458.161)

ST 25:7;O3;S

C25H30O6S (458.1763)

Camlipixant

C23H24F2N4O4 (458.1766)

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 (458.1678)

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

Quinine (sulfate hydrate)

2-[2-(4-{5-[2-(2,5-dihydroxyphenyl)ethyl]-2-hydroxyphenoxy}phenyl)ethyl]benzene-1,4-diol

C28H26O6 (458.1729)

1-O-p-coumaroyl-β-D-xylopyranosyl-(1→6)-β-D-glucopyraboside

C20H26O12 (458.1424)

{"Ingredient_id": "HBIN002928","Ingredient_name": "1-O-p-coumaroyl-\u03b2-D-xylopyranosyl-(1\u21926)-\u03b2-D-glucopyraboside","Alias": "NA","Ingredient_formula": "C20H26O12","Ingredient_Smile": "C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(=O)C=CC3=CC=C(C=C3)O)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37115","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

5,3'-diacetoxy-3,6,7,4'-tetramethoxyflavone

C23H22O10 (458.1213)

{"Ingredient_id": "HBIN011014","Ingredient_name": "5,3'-diacetoxy-3,6,7,4'-tetramethoxyflavone","Alias": "NA","Ingredient_formula": "C23H22O10","Ingredient_Smile": "CC(=O)OC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC(=O)C)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5318","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

8-o-β-d-(6'-o-acetyl)glucopyranosylchrysopha-nol

C23H22O10 (458.1213)

{"Ingredient_id": "HBIN013845","Ingredient_name": "8-o-\u03b2-d-(6'-o-acetyl)glucopyranosylchrysopha-nol","Alias": "NA","Ingredient_formula": "C23H22O10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "401","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

(1'r,2s,2'r,12's,14's,17's,19's,21's)-21'-hydroxy-2',6',6',14',19'-pentamethyl-7',16',18'-trioxaspiro[oxirane-2,11'-pentacyclo[12.6.1.0²,¹².0⁵,¹⁰.0¹⁷,²¹]henicosane]-4',9'-diene-3',8',15',20'-tetrone