Exact Mass: 518.2772
Exact Mass Matches: 518.2772
Found 500 metabolites which its exact mass value is equals to given mass value 518.2772
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Blumenol C O-[rhamnosyl-(1->6)-glucoside]
Blumenol C O-[rhamnosyl-(1->6)-glucoside] is found in fruits. Blumenol C O-[rhamnosyl-(1->6)-glucoside] is a constituent of quince (Cydonia vulgaris) leaves
Corchoroside B
Constituent of Corchorus olitorius (Jews mallow). Corchoroside B is found in tea, herbs and spices, and green vegetables. Corchoroside B is found in green vegetables. Corchoroside B is a constituent of Corchorus olitorius (Jews mallow)
triglyceride palmitate
PA(2:0/20:3(6,8,11)-OH(5))
PA(2:0/20:3(6,8,11)-OH(5)) 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(2:0/20:3(6,8,11)-OH(5)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 5-hydroxyeicosatetrienoyl 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(20:3(6,8,11)-OH(5)/2:0)
PA(20:3(6,8,11)-OH(5)/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(20:3(6,8,11)-OH(5)/2:0), in particular, consists of one chain of one 5-hydroxyeicosatetrienoyl 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).
2,3-dihydro-4beta-methoxywithanolide E|withangulatin E
(2alpha,3beta,14beta)-trihydroxy-3-O-(4-deoxy-3-O-methyl-alpha-L-erythropentopyranosyl)card-4,20(22)-dienolide
caseargrewiin L|rel-(2R,5S,6S,8R,9R,10S,18R,19S)-18,19-diacetoxy-18,19-epoxy-2-(3-methylbutanoyloxy)-6-hydroxycleroda-3,12(Z),14-triene
2alpha,14-Dihydroxy-3beta-((2S)-4c-hydroxy-6c-methyl-3-oxo-tetrahydro-pyran-2r-yloxy)-5alpha,14beta-card-20(22)-enolid|2alpha,14-dihydroxy-3beta-((2S)-4c-hydroxy-6c-methyl-3-oxo-tetrahydro-pyran-2r-yloxy)-5alpha,14beta-card-20(22)-enolide
(5alpha,6beta,12beta,22R)-5,6,12,21,22-pentahydro-27-methoxy-1-oxoergosta-2,24-dien-26-oic acid delta-lactone|baimantuoluoline C
ent-6beta-methoxyisozuelanin-2beta-(2-methyl)propanoate
3beta-(3?-O-acetyl-alpha-l-fucopyranosyloxy)pregna-20-en-19-al|sclerosteroid H
(5alpha,6beta,12beta,20R,22R,24R,25S)-21,24-epoxy-5,6,12-trihydroxy-27-methoxy-1-oxoergost-2-en-26,22-olide|(5alpha,6beta,12beta,20R,22R,24R,25S)-21,24-epoxy-5,6,12-trihydroxy-27-methoxy-1-oxowith-2-enolide|baimantuoluoline D
24xi-Sulfooxy-27-nor-5alpha-cholestan-3alpha,7alpha,12alpha,26-tetraol|24xi-sulfooxy-27-nor-5alpha-cholestane-3alpha,7alpha,12alpha,26-tetraol
Ser Glu Lys Arg
Ser Glu Arg Lys
Thr Asp Lys Arg
C29H42O8_Stigmast-7-ene-6,22,26-trione, 26,28-epoxy-2,3,14,20-tetrahydroxy-, (2beta,3beta,5beta,24S,25S,28R)
C29H42O8_4a,7b-Dihydroxy-3-(hydroxymethyl)-9a-(isobutyryloxy)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl 2-methylbutanoate
(3R,6R)-1-hydroxy-6-((3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptan-3-yl hydrogen sulfate
Cys Ile Gln Arg
Cys Ile Arg Gln
Cys Leu Gln Arg
Cys Leu Arg Gln
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Cys Gln Arg Ile
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Cys Arg Ile Gln
Cys Arg Leu Gln
Cys Arg Gln Ile
Cys Arg Gln Leu
Asp Glu Lys Lys
Asp Lys Glu Lys
Asp Lys Lys Glu
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Asp Lys Thr Arg
Asp Arg Lys Thr
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Glu Asp Lys Lys
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Glu Lys Lys Asp
Glu Lys Arg Ser
Glu Lys Ser Arg
Glu Arg Lys Ser
Glu Arg Ser Lys
Glu Ser Lys Arg
Glu Ser Arg Lys
Phe Lys Pro Gln
Phe Lys Gln Pro
Phe Pro Lys Gln
Phe Pro Gln Lys
Phe Gln Lys Pro
Phe Gln Pro Lys
Gly Met Arg Arg
Gly Arg Met Arg
Gly Arg Arg Met
Ile Cys Gln Arg
Ile Cys Arg Gln
Ile Lys Met Gln
Ile Lys Gln Met
Ile Met Lys Gln
Ile Met Gln Lys
Ile Gln Cys Arg
Ile Gln Lys Met
Ile Gln Met Lys
Ile Gln Arg Cys
Ile Arg Cys Gln
Ile Arg Gln Cys
Lys Asp Glu Lys
Lys Asp Lys Glu
Lys Asp Arg Thr
Lys Asp Thr Arg
Lys Glu Asp Lys
Lys Glu Lys Asp
Lys Glu Arg Ser
Lys Glu Ser Arg
Lys Phe Pro Gln
Lys Phe Gln Pro
Lys Ile Met Gln
Lys Ile Gln Met
Lys Lys Asp Glu
Lys Lys Glu Asp
Lys Leu Met Gln
Lys Leu Gln Met
Lys Met Ile Gln
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Lys Met Gln Ile
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Lys Pro Gln Phe
Lys Gln Phe Pro
Lys Gln Ile Met
Lys Gln Leu Met
Lys Gln Met Ile
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Lys Arg Glu Ser
Lys Arg Ser Glu
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Lys Ser Trp Val
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Lys Val Trp Ser
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Lys Trp Val Ser
Leu Cys Gln Arg
Leu Cys Arg Gln
Leu Lys Met Gln
Leu Lys Gln Met
Leu Met Lys Gln
Leu Met Gln Lys
Leu Gln Cys Arg
Leu Gln Lys Met
Leu Gln Met Lys
Leu Gln Arg Cys
Leu Arg Cys Gln
Leu Arg Gln Cys
Met Gly Arg Arg
Met Ile Lys Gln
Met Ile Gln Lys
Met Lys Ile Gln
Met Lys Leu Gln
Met Lys Gln Ile
Met Lys Gln Leu
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Met Leu Gln Lys
Met Asn Arg Val
Met Asn Val Arg
Met Gln Ile Lys
Met Gln Lys Ile
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Met Arg Gly Arg
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Met Arg Arg Gly
Met Arg Val Asn
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Asn Met Val Arg
Asn Arg Met Val
Asn Arg Val Met
Asn Val Met Arg
Asn Val Arg Met
Pro Phe Lys Gln
Pro Phe Gln Lys
Pro Lys Phe Gln
Pro Lys Gln Phe
Pro Gln Phe Lys
Pro Gln Lys Phe
Gln Cys Ile Arg
Gln Cys Leu Arg
Gln Cys Arg Ile
Gln Cys Arg Leu
Gln Phe Lys Pro
Gln Phe Pro Lys
Gln Ile Cys Arg
Gln Ile Lys Met
Gln Ile Met Lys
Gln Ile Arg Cys
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Gln Lys Ile Met
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Gln Lys Met Ile
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Gln Leu Cys Arg
Gln Leu Lys Met
Gln Leu Met Lys
Gln Leu Arg Cys
Gln Met Ile Lys
Gln Met Lys Ile
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Gln Met Leu Lys
Gln Pro Phe Lys
Gln Pro Lys Phe
Gln Arg Cys Ile
Gln Arg Cys Leu
Gln Arg Ile Cys
Gln Arg Leu Cys
Arg Cys Ile Gln
Arg Cys Leu Gln
Arg Cys Gln Ile
Arg Cys Gln Leu
Arg Asp Lys Thr
Arg Asp Thr Lys
Arg Glu Lys Ser
Arg Glu Ser Lys
Arg Gly Met Arg
Arg Gly Arg Met
Arg Ile Cys Gln
Arg Ile Gln Cys
Arg Lys Asp Thr
Arg Lys Glu Ser
Arg Lys Ser Glu
Arg Lys Thr Asp
Arg Leu Cys Gln
Arg Leu Gln Cys
Arg Met Gly Arg
Arg Met Asn Val
Arg Met Arg Gly
Arg Met Val Asn
Arg Asn Met Val
Arg Asn Val Met
Arg Gln Cys Ile
Arg Gln Cys Leu
Arg Gln Ile Cys
Arg Gln Leu Cys
Arg Arg Gly Met
Arg Arg Met Gly
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Arg Ser Lys Glu
Arg Ser Arg Thr
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Ser Arg Lys Glu
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Ser Arg Trp Ala
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Ser Val Trp Lys
Ser Trp Ala Arg
Ser Trp Lys Val
Ser Trp Arg Ala
Ser Trp Val Lys
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Thr Gly Arg Trp
Thr Gly Trp Arg
Thr Lys Asp Arg
Thr Lys Arg Asp
Thr Arg Asp Lys
Thr Arg Gly Trp
Thr Arg Lys Asp
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Thr Arg Trp Gly
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Val Lys Ser Trp
Val Lys Trp Ser
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Val Met Arg Asn
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Corchorosid b
Blumenol C O-[rhamnosyl-(1->6)-glucoside]
Betamethasone butyrate propionate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
Epelsiban
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D054659 - Diketopiperazines C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C98292 - Oxytocin Antagonist
Withalongolide D
A withanolide that is 5,6:22,26-diepoxyergost-24-ene substituted by hydroxy groups at positions 4, 19 and 27, a methoxy group at position 3 and oxo groups at positions 1 and 26. It has been isolated from the aerial parts of Physalis longifolia.
Withalongolide E
A withanolide that is 5,6:22,26-diepoxyergost-24-ene substituted by hydroxy groups at positions 4, 11 and 27, a methoxy group at position 3 and oxo groups at positions 1 and 26. It has been isolated from the aerial parts of Physalis longifolia.
Butanoic acid, 2-methyl-, 1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-9a-(2-methyl-1-oxopropoxy)-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester
(2S)-2-[[(2S)-2-[[(2S,3S,6R,7R)-2-amino-8-(2-amino-1-carbamoyl-4,5-dihydroimidazol-4-yl)-3-azaniumyl-6,7,8-trihydroxyoctanoyl]amino]propanoyl]amino]-3-methylbutanoate
(2S)-2-[[(2S)-2-[[(2S,3S,6R,7R)-2,3-diamino-8-(2-amino-1-carbamoyl-4,5-dihydroimidazol-4-yl)-6,7,8-trihydroxyoctanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
[(2R)-1-acetyloxy-3-phosphonooxypropan-2-yl] (6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoate
[(2R)-2-acetyloxy-3-phosphonooxypropyl] (6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoate
longirostrerone C
An azaphilone that is 9,9a-dihydro-6H-furo[2,3-h]isochromene-6,8(6aH)-dione substituted by a 6-methyl-2-oxocyclohex-3-en-1-yl group at position 3, a methyl group at position 6a and a 4,6,8-trimethyldeca-2,4-dienoyl group at position 9. Isolated from Chaetomium longirostre, it exhibits cytotoxic and antimalarial activities.
Corchoroside B
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides
caseamemebrol A
A diterpenoid of the clerodane group isolated from the leaves and twigs of Casearia membranacea. It exhibits significant cytotoxicity against human prostrate (PC-3) cancer cells.
3-(2,4-dimethoxyphenyl)-1-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea
3-(2,4-dimethoxyphenyl)-1-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea
3-(2,4-dimethoxyphenyl)-1-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea
1-[[(2S,3S)-8-(2-cyclohexylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-phenylurea
3-(2,4-dimethoxyphenyl)-1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea
3-(2,4-dimethoxyphenyl)-1-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea
3-(2,4-dimethoxyphenyl)-1-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea
3-(2,4-dimethoxyphenyl)-1-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea
3-(2,4-dimethoxyphenyl)-1-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea
3-(2,4-dimethoxyphenyl)-1-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea
1-[[(2R,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3R)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
3-(2,4-dimethoxyphenyl)-1-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea
3-(2,4-dimethoxyphenyl)-1-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea
N-[[(2R,3R)-8-(2-cyclohexylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-(2-pyridinyl)acetamide
N-[[(2S,3S)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-(2-pyridinyl)acetamide
N-[[(2R,3S)-8-(2-cyclohexylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-(2-pyridinyl)acetamide
N-[[(2S,3R)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-(2-pyridinyl)acetamide
N-[[(2R,3R)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-(2-pyridinyl)acetamide
1-[[(2R,3R)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-phenylurea
1-[[(2R,3S)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-phenylurea
1-[[(2S,3R)-8-(2-cyclohexylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-phenylurea
1-[[(2R,3R)-8-(2-cyclohexylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-phenylurea
1-[[(2R,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
3-(2,4-dimethoxyphenyl)-1-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea
N-[[(2S,3R)-8-(2-cyclohexylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-(2-pyridinyl)acetamide
N-[[(2S,3S)-8-(2-cyclohexylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-(2-pyridinyl)acetamide
N-[[(2R,3S)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-(2-pyridinyl)acetamide
1-[[(2S,3R)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-phenylurea
1-[[(2R,3S)-8-(2-cyclohexylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-phenylurea
1-[[(2S,3S)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-phenylurea
3,5-di-O-acetyl-1-O-[(5beta,8alpha,9beta,10alpha)-18-oxokaur-16-en-18-yl]-beta-L-arabinofuranose
An ent-kaurane diterpenoid that is ent-kaur-16-en-18-oic acid substituted by a beta-L-3,5-diacetoxy-arabinofuranosyl moiety at position 18 via a glycosidic linkage. It is isolated from the whole herb of Sagittaria pygmaea and exhibits antibacterial activity against the oral pathogens.
(3R,6R)-1-hydroxy-6-((3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptan-3-yl hydrogen sulfate
RF9 (hydrochloride)
RF9 hydrochloride is a potent and selective Neuropeptide FF receptor antagonist, with Ki values of 58 and 75 nM for hNPFF1R and hNPFF2R, respectively[1][2].
15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-12,15-dihydroxy-6-methoxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-3-one
(1s,3r,5r,6as,7s,8s,9r,10as)-1,3-bis(acetyloxy)-5-methoxy-7,8-dimethyl-7-[(2z)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-9-yl butanoate
4-[(3s,4ar,6ar,6bs,9s,10as,11as,11bs)-6b-hydroxy-11b-methyl-10-methylidene-3-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-tetradecahydrocyclohexa[a]fluoren-9-yl]-5h-furan-2-one
[2-(acetyloxy)-5,9,13-trimethyl-22-oxo-19,21,24-trioxahexacyclo[16.5.1.0¹,²⁰.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-9-yl]methyl acetate
1,3-bis(acetyloxy)-10-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 2-methylpropanoate
2,8-dihydroxy-6,6,9a,11a-tetramethyl-1-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)-1h,2h,3h,3ah,3bh,4h,9bh,11h-cyclopenta[a]phenanthrene-7,10-dione
4-{9,10,22-trihydroxy-7,14,18-trimethyl-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosan-19-yl}-5h-furan-2-one
(6s)-6-[(1r)-1-[(1s,3as,5ar,7r,8s,9ar,9br,11ar)-3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-hydroxyethyl]-4-(2-hydroxypropan-2-yl)-5,6-dihydropyran-2-one
(3s,4s,5r)-4-[(3r)-3-[(1s,3as,5ar,7r,8s,9ar,9br,11ar)-3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-3-hydroxy-2-oxobutyl]-3,5-dimethyloxolan-2-one
2-({1-hydroxy-2-[(2-methylbut-3-en-2-yl)amino]-3-phenylpropylidene}amino)-n-[2-methyl-1-(1,3-thiazol-2-yl)propyl]-3-phenylpropanimidic acid
(6ar,9s,9ar)-6a-methyl-3-[(1s,6s)-6-methyl-2-oxocyclohex-3-en-1-yl]-9-[(2e)-4,6,8-trimethyldeca-2,4-dienoyl]-9h,9ah-furo[2,3-h]isochromene-6,8-dione
6-(1-{5,5a,11-trihydroxy-9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,4h,5h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-hydroxyethyl)-3-(methoxymethyl)-4-methyl-5,6-dihydropyran-2-one
(2s)-1-[(3s,10s,13e)-8,11-dihydroxy-10-(sec-butyl)-2-oxa-6,9,12-triazatricyclo[13.2.2.0³,⁷]nonadeca-1(17),8,11,13,15,18-hexaen-6-yl]-2-(dimethylamino)-3-phenylpropan-1-one
(4r)-4-[(1r,3ar,4s,5ar,7s,9as,11s,11ar)-11-(acetyloxy)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoic acid
4-[(1s,3br,5as,7s,9as,9bs,11ar)-9a,11a-dimethyl-7-{[(2r,3s,5s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3bh,4h,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-5h-furan-2-one
6-{4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-6-hydroxy-2-methyl-4-oxohexanoic acid
(1s,2r,6s,7s,9r,11r,12r,15s,16s)-15-[(1s)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-12,15-dihydroxy-6-methoxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-3-one
9'-(acetyloxy)-12'-[(acetyloxy)methyl]-3'-methyl-10'-oxaspiro[oxirane-2,7'-tricyclo[6.4.0.0²,⁴]dodecan]-11'-en-3'-ylmethyl dec-4-enoate
1,14-dihydroxy-17-[1-hydroxy-1-(4-methyl-5-oxo-2h-furan-2-yl)propan-2-yl]-9,9,18-trimethyl-4,8-dioxapentacyclo[11.7.0.0³,⁷.0³,¹⁰.0¹⁴,¹⁸]icosan-5-one
(2s,6r)-6-[(1s,3ar,4s,5ar,7s,9as,11ar)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxohexanoic acid
4-[(1s,3r,5s,7r,9s,10s,12r,14s,15s,18r,19r,22s,23r)-9,10,22-trihydroxy-7,14,18-trimethyl-4,6,11-trioxahexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosan-19-yl]-5h-furan-2-one
(1r,3s,5s,6ar,7s,8s,10r,10ar)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 2-methylbutanoate
(2s)-2-{[(2s)-1-hydroxy-2-[(2-methylbut-3-en-2-yl)amino]-3-phenylpropylidene]amino}-n-[(1s)-2-methyl-1-(1,3-thiazol-2-yl)propyl]-3-phenylpropanimidic acid
(4r,7r,8r,15r,18r,19r)-4,7,15,18-tetramethyl-12-{[(2s)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methyl}-3,5,14,16-tetraoxapentacyclo[11.7.0.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]icosa-1(13),2(10),11-trien-11-ol
2alpha,5alpha,10beta-triacetoxy-14beta-propionyloxytaxa-4(20),11-diene
{"Ingredient_id": "HBIN005243","Ingredient_name": "2alpha,5alpha,10beta-triacetoxy-14beta-propionyloxytaxa-4(20),11-diene","Alias": "2\u03b1,5\u03b1,10\u03b2-triacetoxy-14\u03b2-propionyloxytaxa-4(20),11-diene","Ingredient_formula": "C29H42O8","Ingredient_Smile": "CCC(=O)OC1CC(=C2C(CC3(CCC(C(=C)C3C(C1C2(C)C)OC(=O)C)OC(=O)C)C)OC(=O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32091;21515","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}