Exact Mass: 546.1750556000001
Exact Mass Matches: 546.1750556000001
Found 364 metabolites which its exact mass value is equals to given mass value 546.1750556000001,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Flavonol 3-O-rutinoside
6'-O-Malonylwistin
6-O-Malonylwistin is found in pulses. 6-O-Malonylwistin is isolated from Medicago sativa (alfalfa). Isolated from Medicago sativa (alfalfa). Afrormosin 7-(6-malonylglucoside) is found in pulses.
Biochanin A 7-(6-methylmalonylglucoside)
Biochanin A 7-(6-methylmalonylglucoside) is found in herbs and spices. Biochanin A 7-(6-methylmalonylglucoside) is isolated from leaves of Trifolium pratense (red clover
Farglitazar
hypocrellin a
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000970 - Antineoplastic Agents D003879 - Dermatologic Agents Hypocrellin A, a naturally occurring PKC inhibitor, has many biological and pharmacological properties, such as antitumour, antiviral, antibacterial, and antileishmanial activities. Hypocrellin A is a promising photosensitizer for anticancer photodynamic therapy (PDT)[1][2][3][4]. Hypocrellin A, a naturally occurring PKC inhibitor, has many biological and pharmacological properties, such as antitumour, antiviral, antibacterial, and antileishmanial activities. Hypocrellin A is a promising photosensitizer for anticancer photodynamic therapy (PDT)[1][2][3][4].
Telotristat
Tryptoquivaline
C29H30N4O7 (546.2114389999999)
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)) 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)
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).
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate
Gmp-n-epsilon-(n-alpha-acetyl lysine methyl ester) 5-phosphoramidate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Gmp-n-epsilon-(n-alpha-acetyl lysine methyl ester) 5-phosphoramidate can be found in a number of food items such as thistle, wax apple, okra, and hedge mustard, which makes gmp-n-epsilon-(n-alpha-acetyl lysine methyl ester) 5-phosphoramidate a potential biomarker for the consumption of these food products.
Xylotetraose
Xylotetraose is a tetrasaccharide comprised of four D-xylose residues connected by beta(1->4) linkages. Xylotetraose is a hydrolysis product of Xylan[1]. Xylan is a polysaccharide made from units of xylose and contains predominantly β-D-xylose units linked as in cellulose[2]. Xylotetraose can be used for enzyme biochemical analysis[1][3][4].
Hypocrellin
Hypocrellin is a natural product found in Parastagonospora nodorum with data available. Hypocrellin A, a naturally occurring PKC inhibitor, has many biological and pharmacological properties, such as antitumour, antiviral, antibacterial, and antileishmanial activities. Hypocrellin A is a promising photosensitizer for anticancer photodynamic therapy (PDT)[1][2][3][4]. Hypocrellin A, a naturally occurring PKC inhibitor, has many biological and pharmacological properties, such as antitumour, antiviral, antibacterial, and antileishmanial activities. Hypocrellin A is a promising photosensitizer for anticancer photodynamic therapy (PDT)[1][2][3][4].
Afrormosin 7-O-(6-malonylglucoside)
8)-epicatechin
[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
6,7-Dihydro-6-(2,4-dihydroxyphenyl)-8-(3,4-dihydroxyphenyl)-7-hydroxy-8H-pyrano[3,2-g]fisetinidol
hypocrellin a
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000970 - Antineoplastic Agents D003879 - Dermatologic Agents Hypocrellin A, a naturally occurring PKC inhibitor, has many biological and pharmacological properties, such as antitumour, antiviral, antibacterial, and antileishmanial activities. Hypocrellin A is a promising photosensitizer for anticancer photodynamic therapy (PDT)[1][2][3][4]. Hypocrellin A, a naturally occurring PKC inhibitor, has many biological and pharmacological properties, such as antitumour, antiviral, antibacterial, and antileishmanial activities. Hypocrellin A is a promising photosensitizer for anticancer photodynamic therapy (PDT)[1][2][3][4].
8,9-Dihydro-10-(2,4-dihydroxyphenyl)-8-(3,4-dihydroxyphenyl)-9-hydroxy-10H-pyrano[2,3-h]fisetinidol
Judaicin 7-O-(6-O-malonylglucoside)
4-(2,4-Dihydroxyphenyl)-2-(3,4-dihydroxyphenyl)-3,3,4,4-tetrahydro(2,6)-bis-2H-1-benzopyran3,3,7,8-tetraol
Scutellarein 4-methyl ether 7-(2,6-diacetylalloside)
Isorhamnetin 3-[6-(2-(E)-butenoyl)-glucoside]
8,9-Dihydro-10-(2,4-dihydroxyphenyl)-9-hydroxy-8-(4-hydroxyphenyl)-10H-pyrano[2,3-h]-ent-fisetinidol
6,7-Dihydro-6-(2,4-dihydroxyphenyl)-8-(3,4-dihydroxyphenyl)-7-hydroxy-8H-pyrano[3,2-g]-ent-epifisetnidol
8,9-Dihydro-10-(2,4-dihydroxyphenyl)-8-(3,4-dihydroxyphenyl)-9-hydroxy-10H-pyrano[2,3-h]-ent-epifisetinidol
7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one
(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 (546.2132670000001)
5,2,6-trihydroxy-7-methoxyflavone-2-O-(2,6-di-O-acetyl-beta-D-glucopyranoside)
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
Benzyl glycoside,6-O-benzylidene,2-Ac-beta-Pyranose-3-O-alpha-L-Rhamnopyranosyl-D-galactose
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)-
(1R,2S,4R,5S,6R,7R,9S,10S)-9-benzoyloxy-1-hydroxy-2,6,15-triacetoxy-8-oxo-dihydro-beta-agarofuran
O-alpha-L-Arabinofuranosyl-(1->3)-O-4)>-O-beta-D-xylopyranosyl-(1->4)-D-xylose|O-beta-D-xylopyranosyl-(1-4)-O-(alpha-L-arabinofuranosyl-(1-3))-O-beta-D-xylopyranosyl-(1-4)-D-xylopyranose|O-beta-D-xylopyranosyl-(1-4)-O--O-beta-D-xylopyranosyl-(1-4)-D-xylopyranose
phomalevone A
A biaryl that is 5,5,10a,10a-tetrahydro-9H,9H-2,2-bixanthene-9,9-dione substituted by hydroxy groups at positions 1, 1, 5, 5, 8 and 8 and methyl groups at positions 3, 3, 10a and 10a. Isolated from the cultures of a Hawaiian isolate of the fungus Phoma species, it exhibits antibacterial activity.
Phomalevone B
A member of the class of biphenyls that is 6,6-dimethylbiphenyl-2,2,4,4-tetrol which has been substituted by 3,6-dihydroxy-2-methylbenzoyl groups at positions 3 and 3. Isolated from the cultures of a Hawaiian isolate of the fungus Phoma species, it exhibits antibacterial and antifungal activities.
1-O-deacetyl-2alpha-methoxylkhayanolide E|khayseneganin G
chrysin 6-C-(2-O-alpha-L-rhamnosyl)-beta-L-fucopyranoside
physcion 8-O-beta-D-(6-methylmalonyl)-glucopyranoside|polyganin B
chrysin 6-C-beta-boivinopyranosyl-7-O-beta-D-glucopyranoside
(E)-3,3?-(2-methylpropane-1,1-diyl)-bis(6-((E)-3,4-dihydroxystyryl)-4-hydroxy-2H-pyran-2-one)|phaeolschidin A
7-O-beta-D-glucopyranosyl-(1?6)-beta-D-glucopyranosyl-6,8-dimethoxy-7-hydroxycoumarin|nitensoside B
O-alpha-L-Arabinofuranosyl-(1->3)-O-beta-D-xylopyranosyl-(1->4)-O-beta-D-xylopyranosyl-(1->4)-D-xylopyranose
(7R,8R,8R)-4-demethyldeoxypodophyllotoxin 4-O-beta-D-glucopyranoside|4-Demethyldesoxypodophyllotoxin 4-O-beta-D-glucoside|4-demethyldesoxypodophyllotoxin beta-D-glucoside|4-demethyldesoxypodophyllotoxin-4-O-beta-D-glucoside|4-Demethyldesoxypodophyllotoxin-4-O-??-D-glucoside
4,C4-dihydro-4-hydroxy-8-oxo-beta-agarofuran-1alpha,2alpha,6beta,9alpha-tetrayl 1alpha,2alpha,6beta-triacetate 9alpha-benzoate
5,2,6-trihydroxy-7-methoxyflavone-2-O-(3,6-di-O-acetyl-beta-D-glucopyranoside)
(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 (546.2114389999999)
6-(3,7-dihydro xychroman-2-yl)-4-(2,4-dihydroxyphenyl)-3,3,4,8-tetrahydro xyflavan
His Phe Glu Asp
Phe Glu His Asp
N, N, N-Di-p-hydroxybenxoyl, feruloylagmatine
C29H30N4O7 (546.2114389999999)
Bepotastine Besilate
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018926 - Anti-Allergic Agents Bepotastine besilate is a selective and orally active second-generation histamine H1 receptor antagonist, can suppress the expression of nerve growth factor (NGF). Bepotastine besilate has the potential for allergic rhinitis, allergic conjunctivitis and urticaria/pruritus research[1][2][3][4].
7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one
1,3,4-trihydroxy-5-[(E)-3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoyl]oxycyclohexane-1-carboxylic acid
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
C27H30O12_Cyclohexanecarboxylic acid, 3-[[(2E)-3-[2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-5-benzofuranyl]-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy
Isoflavone base + 1O, 2MeO, O-MalonylHex
Annotation level-3
Farglitazar
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
Ala Tyr Met Tyr
Ala Tyr Tyr Met
Cys Asp Phe Tyr
C25H30N4O8S (546.1784260000001)
Cys Asp Tyr Phe
C25H30N4O8S (546.1784260000001)
Cys Phe Asp Tyr
C25H30N4O8S (546.1784260000001)
Cys Phe Phe Met
C26H34N4O5S2 (546.1970514000001)
Cys Phe Met Phe
C26H34N4O5S2 (546.1970514000001)
Cys Phe Tyr Asp
C25H30N4O8S (546.1784260000001)
Cys Met Phe Phe
C26H34N4O5S2 (546.1970514000001)
Cys Met Met Tyr
Cys Met Tyr Met
Cys Val Tyr Tyr
Cys Tyr Asp Phe
C25H30N4O8S (546.1784260000001)
Cys Tyr Phe Asp
C25H30N4O8S (546.1784260000001)
Cys Tyr Met Met
Cys Tyr Val Tyr
Cys Tyr Tyr Val
Asp Cys Phe Tyr
C25H30N4O8S (546.1784260000001)
Asp Cys Tyr Phe
C25H30N4O8S (546.1784260000001)
Asp Glu Phe His
Asp Glu His Phe
Asp Phe Cys Tyr
C25H30N4O8S (546.1784260000001)
Asp Phe Glu His
Asp Phe His Glu
Asp Phe Tyr Cys
C25H30N4O8S (546.1784260000001)
Asp His Glu Phe
Asp His Phe Glu
Asp Ser Tyr Tyr
Asp Tyr Cys Phe
C25H30N4O8S (546.1784260000001)
Asp Tyr Phe Cys
C25H30N4O8S (546.1784260000001)
Asp Tyr Ser Tyr
Asp Tyr Tyr Ser
Glu Asp Phe His
Glu Asp His Phe
Glu Phe Asp His
Glu Phe His Asp
Glu His Asp Phe
Glu His Phe Asp
Glu His Met Met
Glu Met His Met
Glu Met Met His
Phe Cys Asp Tyr
C25H30N4O8S (546.1784260000001)
Phe Cys Phe Met
C26H34N4O5S2 (546.1970514000001)
Phe Cys Met Phe
C26H34N4O5S2 (546.1970514000001)
Phe Cys Tyr Asp
C25H30N4O8S (546.1784260000001)
Phe Asp Cys Tyr
C25H30N4O8S (546.1784260000001)
Phe Asp Glu His
Phe Asp His Glu
Phe Asp Tyr Cys
C25H30N4O8S (546.1784260000001)
Phe Glu Asp His
Phe Phe Cys Met
C26H34N4O5S2 (546.1970514000001)
Phe Phe Met Cys
C26H34N4O5S2 (546.1970514000001)
Phe His Asp Glu
Phe His Glu Asp
Phe Met Cys Phe
C26H34N4O5S2 (546.1970514000001)
Phe Met Phe Cys
C26H34N4O5S2 (546.1970514000001)
Phe Met Ser Tyr
Phe Met Tyr Ser
Phe Ser Met Tyr
Phe Ser Tyr Met
Phe Tyr Cys Asp
C25H30N4O8S (546.1784260000001)
Phe Tyr Asp Cys
C25H30N4O8S (546.1784260000001)
Phe Tyr Met Ser
Phe Tyr Ser Met
His Asp Glu Phe
His Asp Phe Glu
His Glu Asp Phe
His Glu Phe Asp
His Glu Met Met
His Phe Asp Glu
His Met Glu Met
His Met Met Glu
His Asn Asn Tyr
His Asn Tyr Asn
His Tyr Asn Asn
Met Ala Tyr Tyr
Met Cys Phe Phe
C26H34N4O5S2 (546.1970514000001)
Met Cys Met Tyr
Met Cys Tyr Met
Met Glu His Met
Met Glu Met His
Met Phe Cys Phe
C26H34N4O5S2 (546.1970514000001)
Met Phe Phe Cys
C26H34N4O5S2 (546.1970514000001)
Met Phe Ser Tyr
Met Phe Tyr Ser
Met His Glu Met
Met His Met Glu
Met Met Cys Tyr
Met Met Glu His
Met Met His Glu
Met Met Tyr Cys
Met Ser Phe Tyr
Met Ser Tyr Phe
Met Tyr Ala Tyr
Met Tyr Cys Met
Met Tyr Phe Ser
Met Tyr Met Cys
Met Tyr Ser Phe
Met Tyr Tyr Ala
Asn His Asn Tyr
Asn His Tyr Asn
Asn Asn His Tyr
Asn Asn Asn Trp
Asn Asn Trp Asn
Asn Asn Tyr His
Asn Trp Asn Asn
Asn Tyr His Asn
Asn Tyr Asn His
Ser Asp Tyr Tyr
Ser Phe Met Tyr
Ser Phe Tyr Met
Ser Met Phe Tyr
Ser Met Tyr Phe
Ser Tyr Asp Tyr
Ser Tyr Phe Met
Ser Tyr Met Phe
Ser Tyr Tyr Asp
Val Cys Tyr Tyr
Val Tyr Cys Tyr
Val Tyr Tyr Cys
Trp Asn Asn Asn
Tyr Ala Met Tyr
Tyr Ala Tyr Met
Tyr Cys Asp Phe
C25H30N4O8S (546.1784260000001)
Tyr Cys Phe Asp
C25H30N4O8S (546.1784260000001)
Tyr Cys Met Met
Tyr Cys Val Tyr
Tyr Cys Tyr Val
Tyr Asp Cys Phe
C25H30N4O8S (546.1784260000001)
Tyr Asp Phe Cys
C25H30N4O8S (546.1784260000001)
Tyr Asp Ser Tyr
Tyr Asp Tyr Ser
Tyr Phe Cys Asp
C25H30N4O8S (546.1784260000001)
Tyr Phe Asp Cys
C25H30N4O8S (546.1784260000001)
Tyr Phe Met Ser
Tyr Phe Ser Met
Tyr His Asn Asn
Tyr Met Ala Tyr
Tyr Met Cys Met
Tyr Met Phe Ser
Tyr Met Met Cys
Tyr Met Ser Phe
Tyr Met Tyr Ala
Tyr Asn His Asn
Tyr Asn Asn His
Tyr Ser Asp Tyr
Tyr Ser Phe Met
Tyr Ser Met Phe
Tyr Ser Tyr Asp
Tyr Val Cys Tyr
Tyr Val Tyr Cys
Tyr Tyr Ala Met
Tyr Tyr Cys Val
Tyr Tyr Asp Ser
Tyr Tyr Met Ala
Tyr Tyr Ser Asp
Tyr Tyr Val Cys
Biochanin A 7-(6-methylmalonylglucoside)
6''-O-Malonylwistin
Daidzein 4,7-dirhamnoside
1H-Isoindole-1,3(2H)-dione,5,5-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis[2-methyl-
Pyromellitic acid di(2-phenyl-2-imidazoline) salt
C28H26N4O8 (546.1750556000001)
Methyl [(2S)-1-[(2S,5S)-2-[9-chloro-1,11-dihydroisochromeno[4,3:6,7]naphtho[1,2-d]imidazol-2-yl]-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
(4Z)-N-(2-methoxyphenyl)-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]hydrazinylidene]-3-oxonaphthalene-2-carboxamide
CHAETOCHROMIN A
A biaryl that is 2,2,3,3-tetrahydro-4H,4H-9,9-bibenzo[g]chromene-4,4-dione substituted by hydroxy groups at positions 5, 5, 6, 6, 8 and 8 and methyl groups at positions 2, 2, 3 and 3 (the 2R,2S,3R,3S stereoisomer). It has been isolated from Chaetomium gracile.
Telotristat
A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AX - Various alimentary tract and metabolism products C78276 - Agent Affecting Digestive System or Metabolism > C266 - Antidiarrheal Agent C471 - Enzyme Inhibitor
(R)-6-Amino-5-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-N-(4-(4-methylpiperazine-1-carbonyl)phenyl)pyridazine-3-carboxamide
C25H25Cl2FN6O3 (546.1349131999999)
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-6-[[[6-methoxy-4-(trifluoromethyl)[1,1-biphenyl]-2-yl]carbonyl]amino]-, phenyl ester
Tepotinib Hydrochloride Hydrate
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
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.
Chaetochromin B
A biaryl that is 2,2,3,3-tetrahydro-4H,4H-9,9-bibenzo[g]chromene-4,4-dione substituted by hydroxy groups at positions 5, 5, 6, 6, 8 and 8 and methyl groups at positions 2, 2, 3 and 3 (the 2R,2S,3R,3R stereoisomer). It has been isolated from Chaetomium gracile.
Pedunculosumoside D
A homoflavonoid glycoside that is 5-prenylophioglonol attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has been isolated from the whole plants of Ophioglossum pedunculosum.
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5'-phosphoramidate
Gmp-n-epsilon-(n-alpha-acetyl lysine methyl ester) 5-phosphoramidate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Gmp-n-epsilon-(n-alpha-acetyl lysine methyl ester) 5-phosphoramidate can be found in a number of food items such as thistle, wax apple, okra, and hedge mustard, which makes gmp-n-epsilon-(n-alpha-acetyl lysine methyl ester) 5-phosphoramidate a potential biomarker for the consumption of these food products. Gmp-n-ε-(n-α-acetyl lysine methyl ester) 5-phosphoramidate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Gmp-n-ε-(n-α-acetyl lysine methyl ester) 5-phosphoramidate can be found in a number of food items such as thistle, wax apple, okra, and hedge mustard, which makes gmp-n-ε-(n-α-acetyl lysine methyl ester) 5-phosphoramidate a potential biomarker for the consumption of these food products.
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5-phosphoramidate
[(5-acetamido-6-methoxy-6-oxohexyl)amino]-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate
Afzelechin-(4alpha->8)-afzelechin
A biflavonoid consisting of two molecules of afzelechin joined by a (4alpha->8) linkage.
1,3,4-trihydroxy-5-[(E)-3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoyl]oxycyclohexane-1-carboxylic acid
N-[3-(benzenesulfonyl)-1-cyclohexyl-2-pyrrolo[3,2-b]quinoxalinyl]benzenesulfonamide
(E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[9-methyl-2-(2-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
(2R,2S,3R,3S)-5,5,6,6,8,8-hexahydroxy-2,2,3,3-tetramethyl-2,2,3,3-tetrahydro-4H,4H-9,9-bibenzo[g]chromene-4,4-dione
(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 (546.2078511999999)
(4R,5R)-2-benzoyl-2-[4-(3-hydroxypropoxy)phenyl]-5-phenyl-3-spiro[1,5-dihydro-2-benzazepine-4,4-5H-oxazole]one
N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-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 (546.2078511999999)
[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(4-methylphenyl)sulfonyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]-(2-pyridinyl)methanone
(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 (546.2078511999999)
N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(4-methylphenyl)sulfonyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]-(2-pyridinyl)methanone
(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 (546.2078511999999)
beta-D-Araf-(1->2)-alpha-D-Araf-(1->5)-alpha-D-Araf-(1->5)-alpha-D-Araf
beta-D-GlcpNAc-(1->4)-alpha-D-Glcp2Ac6SOPr(1-)
C19H32NO15S- (546.1492582000001)