Exact Mass: 509.1984
Exact Mass Matches: 509.1984
Found 500 metabolites which its exact mass value is equals to given mass value 509.1984
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin is found in coffee and coffee products. Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin is a constituent of jojoba meal (Simmonsia chinensis). Constituent of jojoba meal (Simmonsia chinensis). Di-demethylsimmondsin 4-alpha-D-glucoside is found in coffee and coffee products, fats and oils, and nuts.
4-[[2-[[(5Z)-5-(2,6-Dioxo-1,3-dipropylpurin-8-ylidene)-1-methyl-2H-pyrazol-3-yl]oxy]acetyl]amino]benzoic acid
3-OxoUndecanoyl-CoA
3-oxoundecanoyl-coa is an acyl-CoA or acyl-coenzyme A. More specifically, it is a 3-oxoundecanoic acid thioester of coenzyme A. 3-oxoundecanoyl-coa is an acyl-CoA with 11 fatty acid group as the acyl moiety attached to coenzyme A. Coenzyme A was discovered in 1946 by Fritz Lipmann (Journal of Biological Chemistry (1946) 162 (3): 743–744) and its structure was determined in the early 1950s at the Lister Institute in London. Coenzyme A is a complex, thiol-containing molecule that is naturally synthesized from pantothenate (vitamin B5), which is found in various foods such as meat, vegetables, cereal grains, legumes, eggs, and milk. More specifically, coenzyme A (CoASH or CoA) consists of a beta-mercaptoethylamine group linked to the vitamin pantothenic acid (B5) through an amide linkage and 3-phosphorylated ADP. Coenzyme A is synthesized in a five-step process that requires four molecules of ATP, pantothenate and cysteine. It is believed that there are more than 1100 types of acyl-CoA’s in the human body, which also corresponds to the number of acylcarnitines in the human body. Acyl-CoAs exists in all living species, ranging from bacteria to plants to humans. The general role of acyl-CoA’s is to assist in transferring fatty acids from the cytoplasm to mitochondria. This process facilitates the production of fatty acids in cells, which are essential in cell membrane structure. Acyl-CoAs are also susceptible to beta oxidation, forming, ultimately, acetyl-CoA. Acetyl-CoA can enter the citric acid cycle, eventually forming several equivalents of ATP. In this way, fats are converted to ATP -- or biochemical energy. Acyl-CoAs can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain acyl-CoAs; 2) medium-chain acyl-CoAs; 3) long-chain acyl-CoAs; and 4) very long-chain acyl-CoAs; 5) hydroxy acyl-CoAs; 6) branched chain acyl-CoAs; 7) unsaturated acyl-CoAs; 8) dicarboxylic acyl-CoAs and 9) miscellaneous acyl-CoAs. Short-chain acyl-CoAs have acyl-groups with two to four carbons (C2-C4), medium-chain acyl-CoAs have acyl-groups with five to eleven carbons (C5-C11), long-chain acyl-CoAs have acyl-groups with twelve to twenty carbons (C12-C20) while very long-chain acyl-CoAs have acyl groups with more than 20 carbons. 3-oxoundecanoyl-coa is therefore classified as a medium chain acyl-CoA. The oxidative degradation of fatty acids is a two-step process, catalyzed by acyl-CoA synthetase/synthase. Fatty acids are first converted to their acyl phosphate, the precursor to acyl-CoA. The latter conversion is mediated by acyl-CoA synthase. Three types of acyl-CoA synthases are employed, depending on the chain length of the fatty acid. 3-oxoundecanoyl-coa, being a medium chain acyl-CoA is a substrate for medium chain acyl-CoA synthase. The second step of fatty acid degradation is beta oxidation. Beta oxidation occurs in mitochondria and, in the case of very long chain acyl-CoAs, the peroxisome. After its formation in the cytosol, 3-OxoUndecanoyl-CoA is transported into the mitochondria, the locus of beta oxidation. Transport of 3-OxoUndecanoyl-CoA into the mitochondria requires carnitine palmitoyltransferase 1 (CPT1), which converts 3-OxoUndecanoyl-CoA into 3-OxoUndecanoylcarnitine, which gets transported into the mitochondrial matrix. Once in the matrix, 3-OxoUndecanoylcarnitine is converted back to 3-OxoUndecanoyl-CoA by CPT2, whereupon beta-oxidation can begin. Beta oxidation of 3-OxoUndecanoyl-CoA occurs in four steps. First, since 3-OxoUndecanoyl-CoA is a medium chain acyl-CoA it is the substrate for a medium chain acyl-CoA dehydrogenase, which catalyzes dehydrogenation of 3-OxoUndecanoyl-CoA, creating a double bond between the alpha and beta carbons. FAD is the hydrogen acceptor, yielding FADH2. Second, Enoyl-CoA hydrase catalyzes the addition of water across the newly formed double bond to make an alcohol. Third, 3-hydroxyacyl-CoA dehydrogenase oxidizes the alcohol group to a ketone and NADH is produc...
4,5-didemethyl-4-O-alpha-D-glucopyranosylsimmondsin
Thr Phe Gln Asp
Gln Thr Phe Asp
Val Asn Tyr Asp
Ala Ala Trp Tyr
Ala Ala Tyr Trp
Ala Cys Met Trp
Ala Cys Trp Met
Ala Glu Gln Tyr
Ala Glu Tyr Gln
Ala Phe Ser Trp
Ala Phe Trp Ser
Ala Met Cys Trp
Ala Met Trp Cys
Ala Gln Glu Tyr
Ala Gln Tyr Glu
Ala Ser Phe Trp
Ala Ser Trp Phe
Ala Trp Ala Tyr
Ala Trp Cys Met
Ala Trp Phe Ser
Ala Trp Met Cys
Ala Trp Ser Phe
Ala Trp Tyr Ala
Ala Tyr Ala Trp
Ala Tyr Glu Gln
Ala Tyr Gln Glu
Ala Tyr Trp Ala
Cys Ala Met Trp
Cys Ala Trp Met
Cys Cys Glu Arg
Cys Cys Arg Glu
Cys Cys Val Trp
Cys Cys Trp Val
Cys Glu Cys Arg
Cys Glu Lys Met
Cys Glu Met Lys
Cys Glu Arg Cys
Cys His His Asn
Cys His Asn His
Cys Lys Glu Met
Cys Lys Met Glu
Cys Met Ala Trp
Cys Met Glu Lys
Cys Met Lys Glu
Cys Met Arg Thr
Cys Met Thr Arg
Cys Met Trp Ala
Cys Asn His His
Cys Pro Gln Tyr
Cys Pro Tyr Gln
Cys Gln Pro Tyr
Cys Gln Tyr Pro
Cys Arg Cys Glu
Cys Arg Glu Cys
Cys Arg Met Thr
Cys Arg Thr Met
Cys Thr Met Arg
Cys Thr Arg Met
Cys Thr Thr Trp
Cys Thr Trp Thr
Cys Val Cys Trp
Cys Val Trp Cys
Cys Trp Ala Met
Cys Trp Cys Val
Cys Trp Met Ala
Cys Trp Thr Thr
Cys Trp Val Cys
Cys Tyr Pro Gln
Cys Tyr Gln Pro
Asp Asp Phe Asn
Asp Asp Asn Phe
Asp Phe Asp Asn
Asp Phe Asn Asp
Asp Phe Gln Thr
Asp Phe Thr Gln
Asp Gly Arg Tyr
Asp Gly Tyr Arg
Asp Asn Asp Phe
Asp Asn Phe Asp
Asp Asn Val Tyr
Asp Asn Tyr Val
Asp Gln Phe Thr
Asp Gln Thr Phe
Asp Arg Gly Tyr
Asp Arg Tyr Gly
Asp Thr Phe Gln
Asp Thr Gln Phe
Asp Val Asn Tyr
Asp Val Tyr Asn
Asp Tyr Gly Arg
Asp Tyr Asn Val
Asp Tyr Arg Gly
Asp Tyr Val Asn
Glu Ala Gln Tyr
Glu Ala Tyr Gln
Glu Cys Cys Arg
Glu Cys Lys Met
Glu Cys Met Lys
Glu Cys Arg Cys
Glu Phe Asn Thr
Glu Phe Gln Ser
Glu Phe Ser Gln
Glu Phe Thr Asn
Glu His Pro Gln
Glu His Gln Pro
Glu Lys Cys Met
Glu Lys Met Cys
Glu Met Cys Lys
Glu Met Lys Cys
Glu Asn Phe Thr
Glu Asn Thr Phe
Glu Pro His Gln
Glu Pro Gln His
Glu Gln Ala Tyr
Glu Gln Phe Ser
Glu Gln His Pro
Glu Gln Pro His
Glu Gln Ser Phe
Glu Gln Tyr Ala
Glu Arg Cys Cys
Glu Ser Phe Gln
Glu Ser Gln Phe
Glu Thr Phe Asn
Glu Thr Asn Phe
Glu Tyr Ala Gln
Glu Tyr Gln Ala
Phe Ala Ser Trp
Phe Ala Trp Ser
Phe Asp Asp Asn
Phe Asp Asn Asp
Phe Asp Gln Thr
Phe Asp Thr Gln
Phe Glu Asn Thr
Phe Glu Gln Ser
Phe Glu Ser Gln
Phe Glu Thr Asn
Phe Asn Asp Asp
Phe Asn Glu Thr
Phe Asn Thr Glu
Phe Gln Asp Thr
Phe Gln Glu Ser
Phe Gln Ser Glu
Phe Gln Thr Asp
Phe Ser Glu Gln
Phe Ser Gln Glu
Phe Thr Asp Gln
Phe Thr Glu Asn
Phe Thr Asn Glu
Phe Thr Gln Asp
Gly Asp Arg Tyr
Gly Asp Tyr Arg
Gly Arg Asp Tyr
Gly Arg Tyr Asp
Gly Tyr Asp Arg
Gly Tyr Arg Asp
His Cys His Asn
His Cys Asn His
His Glu Pro Gln
His Glu Gln Pro
His His Cys Asn
His His Asn Cys
His Asn Cys His
His Asn His Cys
His Pro Glu Gln
His Pro Gln Glu
His Gln Glu Pro
His Gln Pro Glu
Lys Cys Glu Met
Lys Cys Met Glu
Lys Glu Cys Met
Lys Glu Met Cys
Lys Met Cys Glu
Lys Met Glu Cys
Met Ala Cys Trp
Met Ala Trp Cys
Met Cys Ala Trp
Met Cys Glu Lys
Met Cys Lys Glu
Met Cys Arg Thr
Met Cys Thr Arg
Met Cys Trp Ala
Met Glu Cys Lys
Met Glu Lys Cys
Met Lys Cys Glu
Met Lys Glu Cys
Met Met Gln Thr
Met Met Thr Gln
Met Gln Met Thr
Met Gln Thr Met
Met Arg Cys Thr
Met Arg Thr Cys
Met Ser Ser Trp
Met Ser Trp Ser
Met Thr Cys Arg
Met Thr Met Gln
Met Thr Gln Met
Met Thr Arg Cys
Met Trp Ala Cys
Met Trp Cys Ala
Met Trp Ser Ser
Asn Cys His His
Asn Asp Asp Phe
Asn Asp Phe Asp
Asn Asp Val Tyr
Asn Asp Tyr Val
Asn Glu Phe Thr
Asn Glu Thr Phe
Asn Phe Asp Asp
Asn Phe Glu Thr
Asn Phe Thr Glu
Asn His Cys His
Asn His His Cys
Asn Thr Glu Phe
Asn Thr Phe Glu
Asn Val Asp Tyr
Asn Val Tyr Asp
Asn Tyr Asp Val
Asn Tyr Val Asp
Pro Cys Gln Tyr
Pro Cys Tyr Gln
Pro Glu His Gln
Pro Glu Gln His
Pro His Glu Gln
Pro His Gln Glu
Pro Gln Cys Tyr
Pro Gln Glu His
Pro Gln His Glu
Pro Gln Tyr Cys
Pro Tyr Cys Gln
Pro Tyr Gln Cys
Gln Ala Glu Tyr
Gln Ala Tyr Glu
Gln Cys Pro Tyr
Gln Cys Tyr Pro
Gln Asp Phe Thr
Gln Asp Thr Phe
Gln Glu Ala Tyr
Gln Glu Phe Ser
Gln Glu His Pro
Gln Glu Pro His
Gln Glu Ser Phe
Gln Glu Tyr Ala
Gln Phe Asp Thr
Gln Phe Glu Ser
Gln Phe Ser Glu
Gln Phe Thr Asp
Gln His Glu Pro
Gln His Pro Glu
Gln Met Met Thr
Gln Met Thr Met
Gln Pro Cys Tyr
Gln Pro Glu His
Gln Pro His Glu
Gln Pro Tyr Cys
Gln Ser Glu Phe
Gln Ser Phe Glu
Gln Thr Asp Phe
Gln Thr Met Met
Gln Tyr Ala Glu
Gln Tyr Cys Pro
Gln Tyr Glu Ala
Gln Tyr Pro Cys
Arg Cys Cys Glu
Arg Cys Glu Cys
Arg Cys Met Thr
Arg Cys Thr Met
Arg Asp Gly Tyr
Arg Asp Tyr Gly
Arg Glu Cys Cys
Arg Gly Asp Tyr
Arg Gly Tyr Asp
Arg Met Cys Thr
Arg Met Thr Cys
Arg Thr Cys Met
Arg Thr Met Cys
Arg Tyr Asp Gly
Arg Tyr Gly Asp
Ser Glu Phe Gln
Ser Glu Gln Phe
Ser Phe Glu Gln
Ser Phe Gln Glu
Ser Met Ser Trp
Ser Met Trp Ser
Ser Gln Glu Phe
Ser Gln Phe Glu
Ser Ser Met Trp
Ser Ser Trp Met
Ser Trp Met Ser
Ser Trp Ser Met
Thr Cys Met Arg
Thr Cys Arg Met
Thr Cys Thr Trp
Thr Cys Trp Thr
Thr Asp Phe Gln
Thr Asp Gln Phe
Thr Glu Phe Asn
Thr Glu Asn Phe
Thr Phe Asp Gln
Thr Phe Glu Asn
Thr Phe Asn Glu
Thr Met Cys Arg
Thr Met Met Gln
Thr Met Gln Met
Thr Met Arg Cys
Thr Asn Glu Phe
Thr Asn Phe Glu
Thr Gln Asp Phe
Thr Gln Phe Asp
Thr Gln Met Met
Thr Arg Cys Met
Thr Arg Met Cys
Thr Thr Cys Trp
Thr Thr Trp Cys
Thr Trp Cys Thr
Thr Trp Thr Cys
Val Cys Cys Trp
Val Cys Trp Cys
Val Asp Asn Tyr
Val Asp Tyr Asn
Val Asn Asp Tyr
Val Trp Cys Cys
Val Tyr Asp Asn
Val Tyr Asn Asp
Trp Ala Cys Met
Trp Ala Met Cys
Trp Cys Ala Met
Trp Cys Cys Val
Trp Cys Met Ala
Trp Cys Thr Thr
Trp Cys Val Cys
Trp Met Ala Cys
Trp Met Cys Ala
Trp Met Ser Ser
Trp Ser Met Ser
Trp Ser Ser Met
Trp Thr Cys Thr
Trp Thr Thr Cys
Trp Val Cys Cys
Tyr Ala Glu Gln
Tyr Ala Gln Glu
Tyr Cys Pro Gln
Tyr Cys Gln Pro
Tyr Asp Gly Arg
Tyr Asp Asn Val
Tyr Asp Arg Gly
Tyr Asp Val Asn
Tyr Glu Ala Gln
Tyr Glu Gln Ala
Tyr Gly Asp Arg
Tyr Gly Arg Asp
Tyr Asn Asp Val
Tyr Asn Val Asp
Tyr Pro Cys Gln
Tyr Pro Gln Cys
Tyr Gln Ala Glu
Tyr Gln Cys Pro
Tyr Gln Glu Ala
Tyr Gln Pro Cys
Tyr Arg Asp Gly
Tyr Arg Gly Asp
Tyr Val Asp Asn
Tyr Val Asn Asp
Dide-O-methyl-4-O-a-D-glucopyranosylsimmondsin
(4R,12aS)-N-[(2,4-Difluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-4-methyl-6,8-dioxo-7-(phenylmethoxy)-2H-pyrido[1,2:4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide
1H-Indole-1-carboxylic acid, 2-borono-5-[[4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]sulfonyl]-, 1-(1,1-dimethylethyl) ester (9CI)
N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide
N-[(2R,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3S,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
N-[(2R,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide
N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
N-[(1S,3R,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
N-[(1R,3R,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]pyridine-3-carboxamide
N-[(1R,3S,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]pyridine-3-carboxamide
N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(2S,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide
N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide
N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
4-chloro-N-[(4R,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
4-chloro-N-[(4R,7S,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
4-chloro-N-[(4R,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
N-[(1S,3S,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
N-[(1S,3R,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-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-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide
4,4,4-trifluoro-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
4,4,4-trifluoro-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
4,4,4-trifluoro-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
4-chloro-N-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
4-chloro-N-[(4S,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
4-chloro-N-[(4S,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
4-chloro-N-[(4S,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
4-chloro-N-[(4S,7S,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
N-[(1R,3R,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
(3R)-2-[(R)-tert-butylsulfinyl]-N-ethyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
(3S)-2-[(S)-tert-butylsulfinyl]-N-ethyl-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide
N-[(2S,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide
2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide
N-methyl-N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-L-alpha-aspartyl-L-lysyl-beta-alanine
Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin
CYM 9484
CYM 9484 is a selective and highly potent neuropeptide Y (NPY) Y2 receptor antagonist with an IC50 value of 19 nM[1].
Mito-TEMPO
Mito-TEMPO is a mitochondria-targeted superoxide dismutase mimetic with superoxide and alkyl radical scavenging properties[1].
methyl (2r,8s)-4-hydroxy-2,8-dimethyl-1-oxo-6-(5,6,7-trimethoxy-1h-indole-2-carbonyl)-3h,7h,8h-pyrrolo[3,2-e]indole-2-carboxylate
9-ethyl-4,12,19-trihydroxy-3,13,16-trimethyl-14-oxa-20-azatricyclo[19.3.1.0⁵,²⁴]pentacosa-1(24),2,4,10,16,19,21-heptaene-6,15,23,25-tetrone
(2's,3's,4r)-2-imino-2'-(1h-indol-3-yl)-1,1'',3,3''-tetramethyl-4',9'-dihydro-2'h-dispiro[imidazolidine-4,1'-carbazole-3',4''-imidazolidine]-2'',5,5''-trione
2-[2,4-dihydroxy-3,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexylidene]acetonitrile
(12s,13s,16e)-9-ethyl-4,12,19-trihydroxy-3,13,16-trimethyl-14-oxa-20-azatricyclo[19.3.1.0⁵,²⁴]pentacosa-1(24),2,4,10,16,19,21-heptaene-6,15,23,25-tetrone
(2e)-3-(4-{[(1s,2s)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)-n-[2-(4-hydroxyphenyl)ethyl]prop-2-enimidic acid
2''-imino-2'-(1h-indol-3-yl)-1,1'',3,3''-tetramethyl-4',9'-dihydro-2'h-dispiro[imidazolidine-4,1'-carbazole-3',4''-imidazolidine]-2,5,5''-trione
(1r,2r,3s,6s,7s,9s,10s,11s,12r,13s,14r)-2,6,9,11,13,14-hexahydroxy-11-[(2s)-1-hydroxypropan-2-yl]-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0¹,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecan-12-yl 1h-pyrrole-2-carboxylate
(9s,10e,12r,17r,24r)-9-ethyl-4,24-dihydroxy-12-(1-hydroxyethyl)-3,15-dimethyl-13-oxa-19-azatetracyclo[15.6.1.0⁵,²³.0²⁰,²⁴]tetracosa-1(23),2,4,10,15,20-hexaene-6,14,18,22-tetrone
20-hydroxyryanodine
{"Ingredient_id": "HBIN003419","Ingredient_name": "20-hydroxyryanodine","Alias": "NA","Ingredient_formula": "C25H35NO10","Ingredient_Smile": "CC1CCC2(C3(CC4(C5(C(C(C3(C5(C2(C1O)O4)O)O)OC(=O)C6=CC=CN6)(C(C)C)O)C)O)CO)O","Ingredient_weight": "509.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10682","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101131110","DrugBank_id": "NA"}
8α-hydroxyspiganthine
{"Ingredient_id": "HBIN013634","Ingredient_name": "8\u03b1-hydroxyspiganthine","Alias": "NA","Ingredient_formula": "C25H35NO10","Ingredient_Smile": "CC1C(CC2(C3(CC4(C5(C(C3C(C5(C(C)C)O)OC(=O)C6=CC=CN6)(C2(C1O)O4)O)C)O)CO)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10714","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9-hydroxy-10-epi-ryanodine
{"Ingredient_id": "HBIN014110","Ingredient_name": "9-hydroxy-10-epi-ryanodine","Alias": "NA","Ingredient_formula": "C25H35NO10","Ingredient_Smile": "CC(C)C1(C(C2(C3(CC4(C1(C2(C5(C3(CCC(C5O)(C)O)O)O4)O)C)O)C)O)OC(=O)C6=CC=CN6)O","Ingredient_weight": "509.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10080","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "100991758","DrugBank_id": "NA"}
9-hydroxy-9-epi-10-epi-ryanodine
{"Ingredient_id": "HBIN014117","Ingredient_name": "9-hydroxy-9-epi-10-epi-ryanodine","Alias": "NA","Ingredient_formula": "C25H35NO10","Ingredient_Smile": "CC(C)C1(C(C2(C3(CC4(C1(C2(C5(C3(CCC(C5O)(C)O)O)O4)O)C)O)C)O)OC(=O)C6=CC=CN6)O","Ingredient_weight": "509.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10070","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101131111","DrugBank_id": "NA"}