Exact Mass: 546.2146

Exact Mass Matches: 546.2146

Found 194 metabolites which its exact mass value is equals to given mass value 546.2146, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Farglitazar

2-[(2-benzoylphenyl)amino]-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}propanoic acid

C34H30N2O5 (546.2155)


   

Tryptoquivaline

1-(3-{1-hydroxy-2,2-dimethyl-3,5-dioxo-1,2,3,9a-tetrahydrospiro[imidazolidino[1,2-a]indole-9,2-oxolane]-4-yl}-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl acetate

C29H30N4O7 (546.2114)


   

PA(2:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

[(2R)-3-(acetyloxy)-2-{[(5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoyl]oxy}propoxy]phosphonic acid

C25H39O11P (546.223)


PA(2:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(2:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of Lipoxin A5 at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).

   

PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/2:0)

[(2R)-2-(acetyloxy)-3-{[(5S,6S,7Z,9Z,11E,13E,15R,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoyl]oxy}propoxy]phosphonic acid

C25H39O11P (546.223)


PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/2:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/2:0), in particular, consists of one chain of one Lipoxin A5 at the C-1 position and one chain of acetyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).

   
   

(+)-1,2-Dehydro-2-nortelobine

(+)-1,2-Didehydro-2-nortelobine

C34H30N2O5 (546.2155)


   
   

[3S-(3alpha,5alpha,5aalpha,6alpha,9beta,9aalpha,10S*)]-5,10-bis(Acetyloxy)-5a-[(acetyloxy)methyl]-6-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-4H-3,9a-methano-1-benzoxepin-4-one

[3S-(3alpha,5alpha,5aalpha,6alpha,9beta,9aalpha,10S*)]-5,10-bis(Acetyloxy)-5a-[(acetyloxy)methyl]-6-(benzoyloxy)octahydro-9-hydroxy-2,2,9-trimethyl-4H-3,9a-methano-1-benzoxepin-4-one

C28H34O11 (546.2101)


   

3alpha-dihydrocadambine

3alpha-dihydrocadambine

C27H34N2O10 (546.2213)


   

1,2-Dehydroapateline

(+)-1,2-Dehydroapateline

C34H30N2O5 (546.2155)


   
   

3-O-acetylanthothecanolide

(-)-3-O-Acetylanthothecanolide

C28H34O11 (546.2101)


   

3beta-Isodihydrocadambine

3beta-Isodihydrocadambine

C27H34N2O10 (546.2213)


   

(2E)-2,3-didehydro-3-deoxy-maytansinol|(3E,5E,7R,84S,12E)-14-chloro-10t,11c-epoxy-84-hydroxy-15,7r-dimethoxy-3,9c,11t,15-tetramethyl-(84rH,86cH)-15-aza-1(1,3)-benzena-8(4,6)-[1,3]oxazinana-cyclopentadecaphane-3,5,12-triene-82,14-dione|Maysin|Maysin (5)|maysine

(2E)-2,3-didehydro-3-deoxy-maytansinol|(3E,5E,7R,84S,12E)-14-chloro-10t,11c-epoxy-84-hydroxy-15,7r-dimethoxy-3,9c,11t,15-tetramethyl-(84rH,86cH)-15-aza-1(1,3)-benzena-8(4,6)-[1,3]oxazinana-cyclopentadecaphane-3,5,12-triene-82,14-dione|Maysin|Maysin (5)|maysine

C28H35ClN2O7 (546.2133)


   
   

DEHYDROBRUCEANTIN

DEHYDROBRUCEANTIN

C28H34O11 (546.2101)


   

erythro-1-(4-hydroxy-3-methoxyphenyl)-2-<4-(3-hydroxypropyl)-2-methoxyphenoxy>propane-1,3-diol tetraacetate|threo-1-(4-hydroxy-3-methoxyphenyl)-2-<4-(3-hydroxypropyl)-2-methoxyphenoxy>propane-1,3-diol tetraacetate

erythro-1-(4-hydroxy-3-methoxyphenyl)-2-<4-(3-hydroxypropyl)-2-methoxyphenoxy>propane-1,3-diol tetraacetate|threo-1-(4-hydroxy-3-methoxyphenyl)-2-<4-(3-hydroxypropyl)-2-methoxyphenoxy>propane-1,3-diol tetraacetate

C28H34O11 (546.2101)


   

3beta-Isodihydrocadambin

3beta-Isodihydrocadambin

C27H34N2O10 (546.2213)


   

Benzyl glycoside,6-O-benzylidene,2-Ac-beta-Pyranose-3-O-alpha-L-Rhamnopyranosyl-D-galactose

Benzyl glycoside,6-O-benzylidene,2-Ac-beta-Pyranose-3-O-alpha-L-Rhamnopyranosyl-D-galactose

C28H34O11 (546.2101)


   

Pyrano[4,3:4,5]azepino[1,2:1,2]pyrido[3,4-b]indole-1-carboxylic acid, 4-(beta-D-glucopyranosyloxy)-4,4a,5,6,8,9,14,14b,15,15a-decahydro-5-hydroxy-, methyl ester, (4S,4aS,5S,14bS,15aS)-

Pyrano[4,3:4,5]azepino[1,2:1,2]pyrido[3,4-b]indole-1-carboxylic acid, 4-(beta-D-glucopyranosyloxy)-4,4a,5,6,8,9,14,14b,15,15a-decahydro-5-hydroxy-, methyl ester, (4S,4aS,5S,14bS,15aS)-

C27H34N2O10 (546.2213)


   
   

(1R,2S,4R,5S,6R,7R,9S,10S)-9-benzoyloxy-1-hydroxy-2,6,15-triacetoxy-8-oxo-dihydro-beta-agarofuran

(1R,2S,4R,5S,6R,7R,9S,10S)-9-benzoyloxy-1-hydroxy-2,6,15-triacetoxy-8-oxo-dihydro-beta-agarofuran

C28H34O11 (546.2101)


   
   

1-O-deacetyl-2alpha-methoxylkhayanolide E|khayseneganin G

1-O-deacetyl-2alpha-methoxylkhayanolide E|khayseneganin G

C28H34O11 (546.2101)


   

4,C4-dihydro-4-hydroxy-8-oxo-beta-agarofuran-1alpha,2alpha,6beta,9alpha-tetrayl 1alpha,2alpha,6beta-triacetate 9alpha-benzoate

4,C4-dihydro-4-hydroxy-8-oxo-beta-agarofuran-1alpha,2alpha,6beta,9alpha-tetrayl 1alpha,2alpha,6beta-triacetate 9alpha-benzoate

C28H34O11 (546.2101)


   

(2S)-1-acetoxy-4t-[2-((S)-1-hydroxy-2-methyl-propyl)-4-oxo-4H-quinazolin-3-yl]-2,2-dimethyl-(2rC8a,9rO,9at)-3,4,1,9a-tetrahydro-2H-spiro[furan-2,9-imidazo[1,2-a]indole]-5,3-dione|Isotryptoquivalin|Isotryptoquivaline|Tryptoquivalin C

(2S)-1-acetoxy-4t-[2-((S)-1-hydroxy-2-methyl-propyl)-4-oxo-4H-quinazolin-3-yl]-2,2-dimethyl-(2rC8a,9rO,9at)-3,4,1,9a-tetrahydro-2H-spiro[furan-2,9-imidazo[1,2-a]indole]-5,3-dione|Isotryptoquivalin|Isotryptoquivaline|Tryptoquivalin C

C29H30N4O7 (546.2114)


   

bistartamide E|bistratamide E

bistartamide E|bistratamide E

C25H34N6O4S2 (546.2083)


   

cinnamrutinose B

cinnamrutinose B

C28H34O11 (546.2101)


   

7-O-(5-phenyl-2,4-pentadienoyl)-8-epiloganin

7-O-(5-phenyl-2,4-pentadienoyl)-8-epiloganin

C28H34O11 (546.2101)


   

His Phe Glu Asp

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

C24H30N6O9 (546.2074)


   

Phe Glu His Asp

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

C24H30N6O9 (546.2074)


   

N, N, N-Di-p-hydroxybenxoyl, feruloylagmatine

N, N, N-Di-p-hydroxybenxoyl, feruloylagmatine

C29H30N4O7 (546.2114)


   

Cymoside - CASMI2016 Category 1 - Challenge 5

Cymoside - CASMI2016 Category 1 - Challenge 5

C27H34N2O10 (546.2213)


   

C27H35ClN4O6_2(6H)-Isoquinolineacetic acid, 7-(acetyloxy)-alpha-[3-[(aminoiminomethyl)amino]propyl]-5-chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7,8-dihydro-7-methyl-6,8-dioxo

NCGC00380205-01_C27H35ClN4O6_2(6H)-Isoquinolineacetic acid, 7-(acetyloxy)-alpha-[3-[(aminoiminomethyl)amino]propyl]-5-chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7,8-dihydro-7-methyl-6,8-dioxo-

C27H35ClN4O6 (546.2245)


   

Farglitazar

Farglitazar

C34H30N2O5 (546.2155)


CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5746; ORIGINAL_PRECURSOR_SCAN_NO 5743 C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C154291 - Peroxisome Proliferator-Activated Receptor Agonist CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5760; ORIGINAL_PRECURSOR_SCAN_NO 5756 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5717; ORIGINAL_PRECURSOR_SCAN_NO 5714 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5752; ORIGINAL_PRECURSOR_SCAN_NO 5748 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5751; ORIGINAL_PRECURSOR_SCAN_NO 5750 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5754; ORIGINAL_PRECURSOR_SCAN_NO 5753 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10453; ORIGINAL_PRECURSOR_SCAN_NO 10449 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10505; ORIGINAL_PRECURSOR_SCAN_NO 10503 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10516; ORIGINAL_PRECURSOR_SCAN_NO 10511 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10552; ORIGINAL_PRECURSOR_SCAN_NO 10548 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10569; ORIGINAL_PRECURSOR_SCAN_NO 10567 CONFIDENCE standard compound; INTERNAL_ID 508; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10577; ORIGINAL_PRECURSOR_SCAN_NO 10575

   

Ala Met Tyr Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C26H34N4O7S (546.2148)


   

Ala Tyr Met Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

C26H34N4O7S (546.2148)


   

Ala Tyr Tyr Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

C26H34N4O7S (546.2148)


   

Cys Val Tyr Tyr

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

C26H34N4O7S (546.2148)


   

Cys Tyr Val Tyr

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

C26H34N4O7S (546.2148)


   

Cys Tyr Tyr Val

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

C26H34N4O7S (546.2148)


   

Asp Glu Phe His

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

C24H30N6O9 (546.2074)


   

Asp Glu His Phe

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

C24H30N6O9 (546.2074)


   

Asp Phe Glu His

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

C24H30N6O9 (546.2074)


   

Asp Phe His Glu

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

C24H30N6O9 (546.2074)


   

Asp His Glu Phe

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

C24H30N6O9 (546.2074)


   

Asp His Phe Glu

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

C24H30N6O9 (546.2074)


   

Glu Asp Phe His

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

C24H30N6O9 (546.2074)


   

Glu Asp His Phe

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

C24H30N6O9 (546.2074)


   

Glu Phe Asp His

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

C24H30N6O9 (546.2074)


   

Glu Phe His Asp

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

C24H30N6O9 (546.2074)


   

Glu His Asp Phe

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

C24H30N6O9 (546.2074)


   

Glu His Phe Asp

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

C24H30N6O9 (546.2074)


   

Phe Asp Glu His

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

C24H30N6O9 (546.2074)


   

Phe Asp His Glu

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

C24H30N6O9 (546.2074)


   

Phe Glu Asp His

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

C24H30N6O9 (546.2074)


   

Phe His Asp Glu

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

C24H30N6O9 (546.2074)


   

Phe His Glu Asp

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

C24H30N6O9 (546.2074)


   

Phe Met Ser Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanoic acid

C26H34N4O7S (546.2148)


   

Phe Met Tyr Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanoic acid

C26H34N4O7S (546.2148)


   

Phe Ser Met Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

C26H34N4O7S (546.2148)


   

Phe Ser Tyr Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

C26H34N4O7S (546.2148)


   

Phe Tyr Met Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanoic acid

C26H34N4O7S (546.2148)


   

Phe Tyr Ser Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanoic acid

C26H34N4O7S (546.2148)


   

His Asp Glu Phe

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

C24H30N6O9 (546.2074)


   

His Asp Phe Glu

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

C24H30N6O9 (546.2074)


   

His Glu Asp Phe

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

C24H30N6O9 (546.2074)


   

His Glu Phe Asp

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

C24H30N6O9 (546.2074)


   

His Phe Asp Glu

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

C24H30N6O9 (546.2074)


   

His Asn Asn Tyr

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

C23H30N8O8 (546.2186)


   

His Asn Tyr Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanoic acid

C23H30N8O8 (546.2186)


   

His Tyr Asn Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-3-carbamoylpropanoic acid

C23H30N8O8 (546.2186)


   

Met Ala Tyr Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C26H34N4O7S (546.2148)


   

Met Phe Ser Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanoic acid

C26H34N4O7S (546.2148)


   

Met Phe Tyr Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanoic acid

C26H34N4O7S (546.2148)


   

Met Ser Phe Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C26H34N4O7S (546.2148)


   

Met Ser Tyr Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C26H34N4O7S (546.2148)


   

Met Tyr Ala Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]-3-(4-hydroxyphenyl)propanoic acid

C26H34N4O7S (546.2148)


   

Met Tyr Phe Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-hydroxypropanoic acid

C26H34N4O7S (546.2148)


   

Met Tyr Ser Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-phenylpropanoic acid

C26H34N4O7S (546.2148)


   

Met Tyr Tyr Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]propanoic acid

C26H34N4O7S (546.2148)


   

Asn His Asn Tyr

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

C23H30N8O8 (546.2186)


   

Asn His Tyr Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanoic acid

C23H30N8O8 (546.2186)


   

Asn Asn His Tyr

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

C23H30N8O8 (546.2186)


   

Asn Asn Asn Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C23H30N8O8 (546.2186)


   

Asn Asn Trp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid

C23H30N8O8 (546.2186)


   

Asn Asn Tyr His

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

C23H30N8O8 (546.2186)


   

Asn Trp Asn Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-carbamoylpropanoic acid

C23H30N8O8 (546.2186)


   

Asn Tyr His Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanoic acid

C23H30N8O8 (546.2186)


   

Asn Tyr Asn His

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

C23H30N8O8 (546.2186)


   

Ser Phe Met Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

C26H34N4O7S (546.2148)


   

Ser Phe Tyr Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

C26H34N4O7S (546.2148)


   

Ser Met Phe Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C26H34N4O7S (546.2148)


   

Ser Met Tyr Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C26H34N4O7S (546.2148)


   

Ser Tyr Phe Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid

C26H34N4O7S (546.2148)


   

Ser Tyr Met Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanoic acid

C26H34N4O7S (546.2148)


   

Val Cys Tyr Tyr

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

C26H34N4O7S (546.2148)


   

Val Tyr Cys Tyr

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

C26H34N4O7S (546.2148)


   

Val Tyr Tyr Cys

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

C26H34N4O7S (546.2148)


   

Trp Asn Asn Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-carbamoylpropanoic acid

C23H30N8O8 (546.2186)


   

Tyr Ala Met Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

C26H34N4O7S (546.2148)


   

Tyr Ala Tyr Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

C26H34N4O7S (546.2148)


   

Tyr Cys Val Tyr

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

C26H34N4O7S (546.2148)


   

Tyr Cys Tyr Val

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

C26H34N4O7S (546.2148)


   

Tyr Phe Met Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanoic acid

C26H34N4O7S (546.2148)


   

Tyr Phe Ser Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanoic acid

C26H34N4O7S (546.2148)


   

Tyr His Asn Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]-3-carbamoylpropanoic acid

C23H30N8O8 (546.2186)


   

Tyr Met Ala Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]propanamido]-3-(4-hydroxyphenyl)propanoic acid

C26H34N4O7S (546.2148)


   

Tyr Met Phe Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-hydroxypropanoic acid

C26H34N4O7S (546.2148)


   

Tyr Met Ser Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-phenylpropanoic acid

C26H34N4O7S (546.2148)


   

Tyr Met Tyr Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]propanoic acid

C26H34N4O7S (546.2148)


   

Tyr Asn His Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanoic acid

C23H30N8O8 (546.2186)


   

Tyr Asn Asn His

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

C23H30N8O8 (546.2186)


   

Tyr Ser Phe Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid

C26H34N4O7S (546.2148)


   

Tyr Ser Met Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanoic acid

C26H34N4O7S (546.2148)


   

Tyr Val Cys Tyr

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

C26H34N4O7S (546.2148)


   

Tyr Val Tyr Cys

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

C26H34N4O7S (546.2148)


   

Tyr Tyr Ala Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]-4-(methylsulfanyl)butanoic acid

C26H34N4O7S (546.2148)


   

Tyr Tyr Cys Val

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

C26H34N4O7S (546.2148)


   

Tyr Tyr Met Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]propanoic acid

C26H34N4O7S (546.2148)


   

Tyr Tyr Val Cys

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

C26H34N4O7S (546.2148)


   

lead cyclohexanebutyrate

lead cyclohexanebutyrate

C20H34O4Pb (546.2223)


   

Tepotinib Hydrochloride Hydrate

Tepotinib Hydrochloride Hydrate

C29H31ClN6O3 (546.2146)


C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164000 - c-Met-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D000970 - Antineoplastic Agents

   

Bistratamide E

Bistratamide E

C25H34N6O4S2 (546.2083)


A homodetic cyclic peptide that consists of L-threonine and L-valine as the amino acid residues cyclised via amide bonds. It is isolated from Lissoclinum bistratum and exhibits antitumour activity against the human colon tumour cell line.

   

PA(2:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

PA(2:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

C25H39O11P (546.223)


   

PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/2:0)

PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/2:0)

C25H39O11P (546.223)


   

(1S)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide

(1S)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide

C30H28F2N4O4 (546.2079)


   

(4R,5R)-2-benzoyl-2-[4-(3-hydroxypropoxy)phenyl]-5-phenyl-3-spiro[1,5-dihydro-2-benzazepine-4,4-5H-oxazole]one

(4R,5R)-2-benzoyl-2-[4-(3-hydroxypropoxy)phenyl]-5-phenyl-3-spiro[1,5-dihydro-2-benzazepine-4,4-5H-oxazole]one

C34H30N2O5 (546.2155)


   

(1R)-N-(2-fluorophenyl)-1-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide

(1R)-N-(2-fluorophenyl)-1-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide

C30H28F2N4O4 (546.2079)


   

(1R)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide

(1R)-N-(4-fluorophenyl)-2-[(4-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide

C30H28F2N4O4 (546.2079)


   

(1S)-N-(2-fluorophenyl)-1-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide

(1S)-N-(2-fluorophenyl)-1-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide

C30H28F2N4O4 (546.2079)


   

methyl (1R,3S,12S,15S,19S)-18-ethenyl-19-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-20,21-dioxa-4,14-diazahexacyclo[10.8.1.02,17.03,11.03,15.05,10]henicosa-5,7,9-triene-2-carboxylate

methyl (1R,3S,12S,15S,19S)-18-ethenyl-19-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-20,21-dioxa-4,14-diazahexacyclo[10.8.1.02,17.03,11.03,15.05,10]henicosa-5,7,9-triene-2-carboxylate

C27H34N2O10 (546.2213)


   

(2S,3R,4S,5R,6R)-6-[[(3R,5R,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid

(2S,3R,4S,5R,6R)-6-[[(3R,5R,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid

C25H38O11S (546.2135)


   

Cymoside-CASMI2016 Category 1-Challenge 5

Cymoside-CASMI2016 Category 1-Challenge 5

C27H34N2O10 (546.2213)


   

methyl (1R,3S,12S,15S,18S,19S)-18-ethenyl-19-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-20,21-dioxa-4,14-diazahexacyclo[10.8.1.02,17.03,11.03,15.05,10]henicosa-5,7,9-triene-2-carboxylate

methyl (1R,3S,12S,15S,18S,19S)-18-ethenyl-19-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-20,21-dioxa-4,14-diazahexacyclo[10.8.1.02,17.03,11.03,15.05,10]henicosa-5,7,9-triene-2-carboxylate

C27H34N2O10 (546.2213)


   

methyl (1R,3S,11R,12S,15S,18S,19S)-18-ethenyl-19-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-20,21-dioxa-4,14-diazahexacyclo[10.8.1.02,17.03,11.03,15.05,10]henicosa-5,7,9-triene-2-carboxylate

methyl (1R,3S,11R,12S,15S,18S,19S)-18-ethenyl-19-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-20,21-dioxa-4,14-diazahexacyclo[10.8.1.02,17.03,11.03,15.05,10]henicosa-5,7,9-triene-2-carboxylate

C27H34N2O10 (546.2213)


   

ST 22:6;O5;GlcA

ST 22:6;O5;GlcA

C28H34O11 (546.2101)


   
   

3-methyl-1-[(2r,3s,4r,6r)-3,10,12-trihydroxy-4-(hydroxymethyl)-6-{[2,4,6-trihydroxy-3-(3-methylbutanoyl)phenyl]methyl}-5,7-dioxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-trien-9-yl]butan-1-one

3-methyl-1-[(2r,3s,4r,6r)-3,10,12-trihydroxy-4-(hydroxymethyl)-6-{[2,4,6-trihydroxy-3-(3-methylbutanoyl)phenyl]methyl}-5,7-dioxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-trien-9-yl]butan-1-one

C28H34O11 (546.2101)


   

(21s)-13,27-dimethoxy-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,7,10,12,14(37),16,18,25,27,30(34),32,35-tridecaene

(21s)-13,27-dimethoxy-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,7,10,12,14(37),16,18,25,27,30(34),32,35-tridecaene

C34H30N2O5 (546.2155)


   

methyl (1s,15s,16s,17s,21s)-15-hydroxy-17-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate

methyl (1s,15s,16s,17s,21s)-15-hydroxy-17-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate

C27H34N2O10 (546.2213)


   

methyl (1s,14r,15s,16s,20s)-14-(hydroxymethyl)-16-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate

methyl (1s,14r,15s,16s,20s)-14-(hydroxymethyl)-16-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate

C27H34N2O10 (546.2213)


   

[2-isopropyl-3,5-dimethyl-4,6-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})phenyl](methylsulfanyl)methanone

[2-isopropyl-3,5-dimethyl-4,6-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})phenyl](methylsulfanyl)methanone

C25H38O11S (546.2135)


   

methyl 7-methyl-6-[(5-phenylpenta-2,4-dienoyl)oxy]-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate

methyl 7-methyl-6-[(5-phenylpenta-2,4-dienoyl)oxy]-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate

C28H34O11 (546.2101)


   

1,2-dehydroapateline

NA

C34H30N2O5 (546.2155)


{"Ingredient_id": "HBIN000777","Ingredient_name": "1,2-dehydroapateline","Alias": "NA","Ingredient_formula": "C34H30N2O5","Ingredient_Smile": "CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7=NCCC8=CC(=C(O4)C=C87)O3)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4876","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

3α-dihydrocadambine

3alpha-dihydrocadambine

C27H34N2O10 (546.2213)


{"Ingredient_id": "HBIN007940","Ingredient_name": "3\u03b1-dihydrocadambine","Alias": "3alpha-dihydrocadambine","Ingredient_formula": "C27H34N2O10","Ingredient_Smile": "COC(=O)C1=COC(C2C1CC3C4=C(CCN3CC2O)C5=CC=CC=C5N4)OC6C(C(C(C(O6)CO)O)O)O","Ingredient_weight": "546.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15059;SMIT18381","TCMID_id": "23513;5549","TCMSP_id": "NA","TCM_ID_id": "8185","PubChem_id": "162138","DrugBank_id": "NA"}

   

3-beta-isodihydrocadambine

3beta-isodihydrocadambine; 3β-isodihydrocadambine

C27H34N2O10 (546.2213)


{"Ingredient_id": "HBIN008273","Ingredient_name": "3-beta-isodihydrocadambine","Alias": "3beta-isodihydrocadambine; 3\u03b2-isodihydrocadambine","Ingredient_formula": "C27H34N2O10","Ingredient_Smile": "COC(=O)C1=COC(C2C1CC3C4=C(CCN3C2CO)C5=CC=CC=C5N4)OC6C(C(C(C(O6)CO)O)O)O","Ingredient_weight": "546.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT18369;SMIT16026","TCMID_id": "23461;31346;11374","TCMSP_id": "NA","TCM_ID_id": "8174","PubChem_id": "188431","DrugBank_id": "NA"}

   

{2-isopropyl-3,5-dimethyl-4,6-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}(methylsulfanyl)methanone

{2-isopropyl-3,5-dimethyl-4,6-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}(methylsulfanyl)methanone

C25H38O11S (546.2135)


   

methyl (1s,14r,15s,16s,20s)-14-(hydroxymethyl)-16-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate

methyl (1s,14r,15s,16s,20s)-14-(hydroxymethyl)-16-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate

C27H34N2O10 (546.2213)


   

(1s,2r,6r,7r,10s,11r,16r,18r,19s,20s)-6-(furan-3-yl)-2,19,20-trihydroxy-7,17,17-trimethyl-4,14-dioxo-5,13,21-trioxahexacyclo[17.2.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁶.0¹¹,²⁰]docosan-18-yl acetate

(1s,2r,6r,7r,10s,11r,16r,18r,19s,20s)-6-(furan-3-yl)-2,19,20-trihydroxy-7,17,17-trimethyl-4,14-dioxo-5,13,21-trioxahexacyclo[17.2.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁶.0¹¹,²⁰]docosan-18-yl acetate

C28H34O11 (546.2101)


   

methyl 15-hydroxy-17-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate

methyl 15-hydroxy-17-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate

C27H34N2O10 (546.2213)


   

methyl 3-[(3,4-dimethylpent-2-enoyl)oxy]-11,15,16-trihydroxy-9,13-dimethyl-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadeca-8,11-diene-17-carboxylate

methyl 3-[(3,4-dimethylpent-2-enoyl)oxy]-11,15,16-trihydroxy-9,13-dimethyl-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadeca-8,11-diene-17-carboxylate

C28H34O11 (546.2101)


   

methyl (1r,14r,15s,16s,20s)-14-(hydroxymethyl)-16-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate

methyl (1r,14r,15s,16s,20s)-14-(hydroxymethyl)-16-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate

C27H34N2O10 (546.2213)


   

(1s,2r,4s,5r,6s,7r,9r,12r)-4,5,12-tris(acetyloxy)-6-(hydroxymethyl)-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

(1s,2r,4s,5r,6s,7r,9r,12r)-4,5,12-tris(acetyloxy)-6-(hydroxymethyl)-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

C28H34O11 (546.2101)


   

(4s,7r,8s,11s,18s)-4,11,18-triisopropyl-7-methyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),9,12(23),14,16,19(22)-octaene-2,9,16-triol

(4s,7r,8s,11s,18s)-4,11,18-triisopropyl-7-methyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),9,12(23),14,16,19(22)-octaene-2,9,16-triol

C25H34N6O4S2 (546.2083)


   

7-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-13-yl acetate

7-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-13-yl acetate

C28H34O11 (546.2101)


   

(21s)-27-methoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,7,10,12,14(37),16,18,25(33),26,28(32),30(34),35-tridecaen-13-ol

(21s)-27-methoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,7,10,12,14(37),16,18,25(33),26,28(32),30(34),35-tridecaen-13-ol

C34H30N2O5 (546.2155)


   

methyl (1s,4as,6s,7s,7as)-7-methyl-6-{[(2e,4e)-5-phenylpenta-2,4-dienoyl]oxy}-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate

methyl (1s,4as,6s,7s,7as)-7-methyl-6-{[(2e,4e)-5-phenylpenta-2,4-dienoyl]oxy}-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate

C28H34O11 (546.2101)


   

(1r,2r)-3-(acetyloxy)-1-[4-(acetyloxy)-3-methoxyphenyl]-2-{4-[3-(acetyloxy)propyl]-2-methoxyphenoxy}propyl acetate

(1r,2r)-3-(acetyloxy)-1-[4-(acetyloxy)-3-methoxyphenyl]-2-{4-[3-(acetyloxy)propyl]-2-methoxyphenoxy}propyl acetate

C28H34O11 (546.2101)


   

1-(3-{1-hydroxy-2,2-dimethyl-3,5'-dioxo-9ah-spiro[imidazo[1,2-a]indole-9,2'-oxolan]-4'-yl}-4-oxoquinazolin-2-yl)-2-methylpropyl acetate

1-(3-{1-hydroxy-2,2-dimethyl-3,5'-dioxo-9ah-spiro[imidazo[1,2-a]indole-9,2'-oxolan]-4'-yl}-4-oxoquinazolin-2-yl)-2-methylpropyl acetate

C29H30N4O7 (546.2114)


   

methyl 15-hydroxy-17-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate

methyl 15-hydroxy-17-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate

C27H34N2O10 (546.2213)


   

(1r,2s,5s,8s,9r,14r,15r,17r,18r,21s,24r,26s,27s)-5,14,15-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosane-4,10,22,29-tetrone

(1r,2s,5s,8s,9r,14r,15r,17r,18r,21s,24r,26s,27s)-5,14,15-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosane-4,10,22,29-tetrone

C28H34O11 (546.2101)


   

4,5-dihydroxy-6-[(3-phenylprop-2-en-1-yl)oxy]-2-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl benzoate

4,5-dihydroxy-6-[(3-phenylprop-2-en-1-yl)oxy]-2-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl benzoate

C28H34O11 (546.2101)


   

4,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-5-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

4,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-5-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

C28H34O11 (546.2101)


   

methyl (1s,15s,16s,17s,21s)-15-hydroxy-17-{[(2s,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate

methyl (1s,15s,16s,17s,21s)-15-hydroxy-17-{[(2s,3s,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate

C27H34N2O10 (546.2213)


   

(1r,6s,11s,16s,19r)-6-(furan-3-yl)-2,19,20-trihydroxy-7,17,17-trimethyl-4,14-dioxo-5,13,21-trioxahexacyclo[17.2.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁶.0¹¹,²⁰]docosan-18-yl acetate

(1r,6s,11s,16s,19r)-6-(furan-3-yl)-2,19,20-trihydroxy-7,17,17-trimethyl-4,14-dioxo-5,13,21-trioxahexacyclo[17.2.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁶.0¹¹,²⁰]docosan-18-yl acetate

C28H34O11 (546.2101)


   

(1r)-1-{3-[(4'r,9s,9as)-1-hydroxy-2,2-dimethyl-3,5'-dioxo-9ah-spiro[imidazo[1,2-a]indole-9,2'-oxolan]-4'-yl]-4-oxoquinazolin-2-yl}-2-methylpropyl acetate

(1r)-1-{3-[(4'r,9s,9as)-1-hydroxy-2,2-dimethyl-3,5'-dioxo-9ah-spiro[imidazo[1,2-a]indole-9,2'-oxolan]-4'-yl]-4-oxoquinazolin-2-yl}-2-methylpropyl acetate

C29H30N4O7 (546.2114)


   

4,5,12-tris(acetyloxy)-6-(hydroxymethyl)-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

4,5,12-tris(acetyloxy)-6-(hydroxymethyl)-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

C28H34O11 (546.2101)


   

methyl 14-(hydroxymethyl)-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate

methyl 14-(hydroxymethyl)-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate

C27H34N2O10 (546.2213)


   

methyl (1r,2s,3r,6r,13s,14r,15r,16s,17s)-3-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-11,15,16-trihydroxy-9,13-dimethyl-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadeca-8,11-diene-17-carboxylate

methyl (1r,2s,3r,6r,13s,14r,15r,16s,17s)-3-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-11,15,16-trihydroxy-9,13-dimethyl-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadeca-8,11-diene-17-carboxylate

C28H34O11 (546.2101)


   

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

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

C28H34O11 (546.2101)


   

methyl (1s,4ar,6r,7r,7ar)-6-hydroxy-7-[(1r)-1h,2h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate

methyl (1s,4ar,6r,7r,7ar)-6-hydroxy-7-[(1r)-1h,2h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate

C27H34N2O10 (546.2213)


   

methyl (1s,15r,16s,17r,21s)-15-hydroxy-17-{[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate

methyl (1s,15r,16s,17r,21s)-15-hydroxy-17-{[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate

C27H34N2O10 (546.2213)


   

methyl 6-hydroxy-7-{1h,2h,3h,4h,9h-pyrido[3,4-b]indol-1-yl}-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate

methyl 6-hydroxy-7-{1h,2h,3h,4h,9h-pyrido[3,4-b]indol-1-yl}-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate

C27H34N2O10 (546.2213)


   

(2r,3s,4r,5r,6r)-4,5-dihydroxy-6-{[(2e)-3-phenylprop-2-en-1-yl]oxy}-2-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl benzoate

(2r,3s,4r,5r,6r)-4,5-dihydroxy-6-{[(2e)-3-phenylprop-2-en-1-yl]oxy}-2-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl benzoate

C28H34O11 (546.2101)


   

4,11,18-triisopropyl-7-methyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),9,12(23),14,16,19(22)-octaene-2,9,16-triol

4,11,18-triisopropyl-7-methyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),9,12(23),14,16,19(22)-octaene-2,9,16-triol

C25H34N6O4S2 (546.2083)


   

(1r,2s,6s,7s,10r,11s,16s,18s,19r,20r)-6-(furan-3-yl)-2,19,20-trihydroxy-7,17,17-trimethyl-4,14-dioxo-5,13,21-trioxahexacyclo[17.2.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁶.0¹¹,²⁰]docosan-18-yl acetate

(1r,2s,6s,7s,10r,11s,16s,18s,19r,20r)-6-(furan-3-yl)-2,19,20-trihydroxy-7,17,17-trimethyl-4,14-dioxo-5,13,21-trioxahexacyclo[17.2.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁶.0¹¹,²⁰]docosan-18-yl acetate

C28H34O11 (546.2101)


   

27-methoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,7,10,12,14(37),16,18,25(33),26,28(32),30(34),35-tridecaen-13-ol

27-methoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,7,10,12,14(37),16,18,25(33),26,28(32),30(34),35-tridecaen-13-ol

C34H30N2O5 (546.2155)


   

6-(furan-3-yl)-2,19,20-trihydroxy-7,17,17-trimethyl-4,14-dioxo-5,13,21-trioxahexacyclo[17.2.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁶.0¹¹,²⁰]docosan-18-yl acetate

6-(furan-3-yl)-2,19,20-trihydroxy-7,17,17-trimethyl-4,14-dioxo-5,13,21-trioxahexacyclo[17.2.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁶.0¹¹,²⁰]docosan-18-yl acetate

C28H34O11 (546.2101)


   

methyl (1r,15s,16s,17s,21s)-15-hydroxy-17-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate

methyl (1r,15s,16s,17s,21s)-15-hydroxy-17-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate

C27H34N2O10 (546.2213)


   

13,27-dimethoxy-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,7,10,12,14(37),16,18,25,27,30(34),32,35-tridecaene

13,27-dimethoxy-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,7,10,12,14(37),16,18,25,27,30(34),32,35-tridecaene

C34H30N2O5 (546.2155)


   

5,14,15-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosane-4,10,22,29-tetrone

5,14,15-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosane-4,10,22,29-tetrone

C28H34O11 (546.2101)


   

methyl (1s,15s,16s,17s,21s)-15-hydroxy-17-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate

methyl (1s,15s,16s,17s,21s)-15-hydroxy-17-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate

C27H34N2O10 (546.2213)


   

7,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate

7,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate

C28H34O11 (546.2101)


   

(1r)-1-{3-[(4's,9r,9ar)-1-hydroxy-2,2-dimethyl-3,5'-dioxo-9ah-spiro[imidazo[1,2-a]indole-9,2'-oxolan]-4'-yl]-4-oxoquinazolin-2-yl}-2-methylpropyl acetate

(1r)-1-{3-[(4's,9r,9ar)-1-hydroxy-2,2-dimethyl-3,5'-dioxo-9ah-spiro[imidazo[1,2-a]indole-9,2'-oxolan]-4'-yl]-4-oxoquinazolin-2-yl}-2-methylpropyl acetate

C29H30N4O7 (546.2114)


   

methyl 15-hydroxy-17-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate

methyl 15-hydroxy-17-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylate

C27H34N2O10 (546.2213)


   

(1r,2s,5s,8s,9r,14r,15r,17r,21s,24r,26s,27s)-5,14,15-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosane-4,10,22,29-tetrone

(1r,2s,5s,8s,9r,14r,15r,17r,21s,24r,26s,27s)-5,14,15-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosane-4,10,22,29-tetrone

C28H34O11 (546.2101)


   

3-(acetyloxy)-1-[4-(acetyloxy)-3-methoxyphenyl]-2-{4-[3-(acetyloxy)propyl]-2-methoxyphenoxy}propyl acetate

3-(acetyloxy)-1-[4-(acetyloxy)-3-methoxyphenyl]-2-{4-[3-(acetyloxy)propyl]-2-methoxyphenoxy}propyl acetate

C28H34O11 (546.2101)


   

(1r,2r,4s,7r,8s,11r,12r,13s,18r)-7-[(5s)-5-hydroxy-2-oxo-5h-furan-3-yl]-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-13-yl acetate

(1r,2r,4s,7r,8s,11r,12r,13s,18r)-7-[(5s)-5-hydroxy-2-oxo-5h-furan-3-yl]-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-13-yl acetate

C28H34O11 (546.2101)


   

(1s,2r,4s,5r,6s,7s,9r,12r)-4,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-5-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

(1s,2r,4s,5r,6s,7s,9r,12r)-4,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-5-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate

C28H34O11 (546.2101)


   

(1r,2r,4s,7r,8s,11r,12r,13r,18r)-7-[(5s)-5-hydroxy-2-oxo-5h-furan-3-yl]-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-13-yl acetate

(1r,2r,4s,7r,8s,11r,12r,13r,18r)-7-[(5s)-5-hydroxy-2-oxo-5h-furan-3-yl]-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-13-yl acetate

C28H34O11 (546.2101)


   

methyl (1r,14r,15s,16s,20s)-14-(hydroxymethyl)-16-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate

methyl (1r,14r,15s,16s,20s)-14-(hydroxymethyl)-16-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate

C27H34N2O10 (546.2213)


   

3-methyl-1-[3,10,12-trihydroxy-4-(hydroxymethyl)-6-{[2,4,6-trihydroxy-3-(3-methylbutanoyl)phenyl]methyl}-5,7-dioxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-trien-9-yl]butan-1-one

3-methyl-1-[3,10,12-trihydroxy-4-(hydroxymethyl)-6-{[2,4,6-trihydroxy-3-(3-methylbutanoyl)phenyl]methyl}-5,7-dioxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-trien-9-yl]butan-1-one

C28H34O11 (546.2101)