Exact Mass: 558.2231624
Exact Mass Matches: 558.2231624
Found 500 metabolites which its exact mass value is equals to given mass value 558.2231624
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Atorvastatin
Atorvastatin (INN) is a member of the drug class known as statins, used for lowering cholesterol and thereby reducing cardiovascular disease. Atorvastatin inhibits a rate-determining enzyme located in hepatic tissue used in cholesterol synthesis, which lowers the amount of cholesterol produced. This also has the effect of lowering the total amount of LDL cholesterol; Atorvastatin is a member of the drug class known as statins, used for lowering cholesterol and thereby reducing cardiovascular disease. Atorvastatin inhibits a rate-determining enzyme located in hepatic tissue used in cholesterol synthesis, which lowers the amount of cholesterol produced. This also has the effect of lowering the total amount of LDL cholesterol; As with other statins, atorvastatin is a competitive inhibitor of HMG-CoA reductase. Unlike most others, however, it is a completely synthetic compound. HMG-CoA reductase catalyzes the reduction of 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA) to mevalonate, which is the rate-limiting step in hepatic cholesterol biosynthesis. Inhibition of the enzyme decreases de novo cholesterol synthesis, increasing expression of low-density lipoprotein receptors (LDL receptors) on hepatocytes. This increases the LDL uptake by the hepatocytes, decreasing the amount of LDL in the blood. [HMDB] Atorvastatin is a member of the drug class known as statins, used for lowering cholesterol and thereby reducing cardiovascular disease. Atorvastatin inhibits a rate-determining enzyme located in hepatic tissue used in cholesterol synthesis, which lowers the amount of cholesterol produced. This also has the effect of lowering the total amount of LDL cholesterol; Atorvastatin is a member of the drug class known as statins, used for lowering cholesterol and thereby reducing cardiovascular disease. Atorvastatin inhibits a rate-determining enzyme located in hepatic tissue used in cholesterol synthesis, which lowers the amount of cholesterol produced. This also has the effect of lowering the total amount of LDL cholesterol; As with other statins, atorvastatin is a competitive inhibitor of HMG-CoA reductase. Unlike most others, however, it is a completely synthetic compound. HMG-CoA reductase catalyzes the reduction of 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA) to mevalonate, which is the rate-limiting step in hepatic cholesterol biosynthesis. Inhibition of the enzyme decreases de novo cholesterol synthesis, increasing expression of low-density lipoprotein receptors (LDL receptors) on hepatocytes. This increases the LDL uptake by the hepatocytes, decreasing the amount of LDL in the blood. CONFIDENCE standard compound; INTERNAL_ID 1385; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4818; ORIGINAL_PRECURSOR_SCAN_NO 4814 CONFIDENCE standard compound; INTERNAL_ID 1385; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9293; ORIGINAL_PRECURSOR_SCAN_NO 9291 CONFIDENCE standard compound; INTERNAL_ID 1385; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4848; ORIGINAL_PRECURSOR_SCAN_NO 4846 CONFIDENCE standard compound; INTERNAL_ID 1385; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9346; ORIGINAL_PRECURSOR_SCAN_NO 9343 CONFIDENCE standard compound; INTERNAL_ID 1385; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4838; ORIGINAL_PRECURSOR_SCAN_NO 4836 ORIGINAL_ACQUISITION_NO 4846; CONFIDENCE standard compound; INTERNAL_ID 1385; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 4844 CONFIDENCE standard compound; INTERNAL_ID 1385; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9248; ORIGINAL_PRECURSOR_SCAN_NO 9243 CONFIDENCE standard compound; INTERNAL_ID 1385; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9306; ORIGINAL_PRECURSOR_SCAN_NO 9305 CONFIDENCE standard compound; INTERNAL_ID 1385; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4854; ORIGINAL_PRECURSOR_SCAN_NO 4852 CONFIDENCE standard compound; INTERNAL_ID 1385; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9353; ORIGINAL_PRECURSOR_SCAN_NO 9351 CONFIDENCE standard compound; INTERNAL_ID 1385; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9350; ORIGINAL_PRECURSOR_SCAN_NO 9348 CONFIDENCE standard compound; INTERNAL_ID 1385; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4846; ORIGINAL_PRECURSOR_SCAN_NO 4844 CONFIDENCE standard compound; INTERNAL_ID 1385; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4834; ORIGINAL_PRECURSOR_SCAN_NO 4833 CONFIDENCE standard compound; INTERNAL_ID 358; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4366; ORIGINAL_PRECURSOR_SCAN_NO 4362 CONFIDENCE standard compound; INTERNAL_ID 358; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9335; ORIGINAL_PRECURSOR_SCAN_NO 9331 CONFIDENCE standard compound; INTERNAL_ID 358; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9233; ORIGINAL_PRECURSOR_SCAN_NO 9231 CONFIDENCE standard compound; INTERNAL_ID 358; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9381; ORIGINAL_PRECURSOR_SCAN_NO 9378 CONFIDENCE standard compound; INTERNAL_ID 358; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9353; ORIGINAL_PRECURSOR_SCAN_NO 9351 CONFIDENCE standard compound; INTERNAL_ID 358; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4881; ORIGINAL_PRECURSOR_SCAN_NO 4879 CONFIDENCE standard compound; INTERNAL_ID 358; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4377; ORIGINAL_PRECURSOR_SCAN_NO 4376 CONFIDENCE standard compound; INTERNAL_ID 358; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4961; ORIGINAL_PRECURSOR_SCAN_NO 4959 CONFIDENCE standard compound; INTERNAL_ID 358; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9365; ORIGINAL_PRECURSOR_SCAN_NO 9364 CONFIDENCE standard compound; INTERNAL_ID 358; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4867; ORIGINAL_PRECURSOR_SCAN_NO 4865 CONFIDENCE standard compound; INTERNAL_ID 358; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4882; ORIGINAL_PRECURSOR_SCAN_NO 4880 CONFIDENCE standard compound; INTERNAL_ID 358; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9339; ORIGINAL_PRECURSOR_SCAN_NO 9336 C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AA - Hmg coa reductase inhibitors D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D004791 - Enzyme Inhibitors > D019161 - Hydroxymethylglutaryl-CoA Reductase Inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C1655 - HMG-CoA Reductase Inhibitor CONFIDENCE standard compound; INTERNAL_ID 1129 CONFIDENCE standard compound; INTERNAL_ID 8593 D009676 - Noxae > D000963 - Antimetabolites Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Atorvastatin is an orally active HMG-CoA reductase inhibitor, has the ability to effectively decrease blood lipids. Atorvastatin inhibits human SV-SMC proliferation and invasion with IC50s of 0.39 μM and 2.39 μM, respectively[1][2][3].
Physalin I
From the famine food Physalis angulata (cutleaf ground cherry). Physalin I is found in herbs and spices and fruits. Physalin I is found in fruits. Physalin I is from the famine food Physalis angulata (cutleaf ground cherry).
Ustiloxin C
Ustiloxin C is found in cereals and cereal products. Ustiloxin C is isolated from the false smut balls caused by Ustilaginoidea virens on rice. Isolated from the false smut balls caused by Ustilaginoidea virens on rice. Ustiloxin C is found in cereals and cereal products.
Glaucarubol 15-O-beta-D-glucopyranoside
Glaucarubol 15-O-beta-D-glucopyranoside is found in fats and oils. Glaucarubol 15-O-beta-D-glucopyranoside is a constituent of Simarouba glauca (aceituno)
Eravacycline
Napsagatran
C26H34N6O6S (558.2260424000001)
Olmesartan medoxomil
Secoisolariciresinol-sesquilignan
Secoisolariciresinol-sesquilignan is a member of the class of compounds known as dibenzylbutanediol lignans. Dibenzylbutanediol lignans are lignan compounds containing a 2,3-dibenzylbutane-1,4-diol moiety. Secoisolariciresinol-sesquilignan is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Secoisolariciresinol-sesquilignan can be found in sesame, which makes secoisolariciresinol-sesquilignan a potential biomarker for the consumption of this food product.
Atorvastatin
C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AA - Hmg coa reductase inhibitors D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D004791 - Enzyme Inhibitors > D019161 - Hydroxymethylglutaryl-CoA Reductase Inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C1655 - HMG-CoA Reductase Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 2810 D009676 - Noxae > D000963 - Antimetabolites Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Atorvastatin is an orally active HMG-CoA reductase inhibitor, has the ability to effectively decrease blood lipids. Atorvastatin inhibits human SV-SMC proliferation and invasion with IC50s of 0.39 μM and 2.39 μM, respectively[1][2][3].
Lobetyolinin
Lobetyolinin shows anti-arrhythmic activity[1]. Lobetyolinin is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups. Lobetyolinin shows anti-arrhythmic activity[1]. Lobetyolinin is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
Scutebarbatine A
Scutebarbatine A is a natural product found in Scutellaria barbata with data available.
Myrotoxin B
(9S,10R)-9,10,5-Triacetoxy-11-hydroxyumbelliprenin
Olmesartan medoxomil
C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09C - Angiotensin ii receptor blockers (arbs), plain > C09CA - Angiotensin ii receptor blockers (arbs), plain C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C66930 - Angiotensin II Receptor Antagonist D057911 - Angiotensin Receptor Antagonists > D047228 - Angiotensin II Type 1 Receptor Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents Olmesartan medoxomil is a potent and selective angiotensin AT1 receptor inhibitor with IC50 of 66.2 μM.
(2E)-3-phenylprop-2-enoic acid (3R,5R,5aS,6S,9S,9aS,10R)-6,10-bis(acetyloxy)-5a-[(acetyloxy)methyl]-octahydro-9-hydroxy-2,2,9-trimethyl-2H-3,9a-methano-1-benzoexepin-5-yl ester|1beta,6alpha,13-tris(acetyloxy)-9beta-(cynnamoyloxy)-4alpha-hydroxy-beta-dihydroagarofuran
1beta,8beta-diacetoxyl-6alpha,9alpha-difuroyloxydihydro-beta-agarofuran|orbiculin H
Punaglandin 2
rel-(2R,3aR,4R,4R,4aS,6R,8R,8aR,9R)-6-(benzoyloxy)-2,4,4a,6,7,8,8a,9-octahydro-2,4,8,9-tetrahydroxy-1,2,2,8a,12,12-hexamethylspiro[1,3]-dioxolane-4,5(3H)-[3a,9](methanoxymethano)[3aH]benz[f]inden-10-one|sumataxin A
15-O-[3-(4-Hydroxyphenyl)acetyl-beta-D-glucopyranoside-(5alpha,6alpha,9alpha)-9,15-Dihydroxy-1(10),3,11(13)-guaiatrien-12,6-olide
2-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranosyl-peucedanol
6-O-[(2E)-2,6-dimethyl-8-hydroxy-2-octenoyloxy]secologanoside|6-O-[(2E)-2,6-dimethyl-8-hydroxy-2-octenoyl]secologanoside
1,3,8-tri(p-hydroxybenzyl)-4-methoxyphenanthrene-2,7-diol
5-oxodolichantoside|methyl (2R,3S,4R)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-4-{[(1R)-2,3,4,9-tetrahydro-2-methyl-3-oxo-1H-beta-carbolin-1-yl]methyl}-2H-pyran-5-carboxylate
12beta-O-beta-apiosyl-(1-6)-O-beta-glucopyranosyl hibiscone B|bombaside
(S)-peucedanol 3-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
Cys His His Tyr
C24H30N8O6S (558.2008920000001)
Cys His Asn Trp
C24H30N8O6S (558.2008920000001)
Cys His Trp Asn
C24H30N8O6S (558.2008920000001)
Cys His Tyr His
C24H30N8O6S (558.2008920000001)
Cys Asn His Trp
C24H30N8O6S (558.2008920000001)
Cys Asn Trp His
C24H30N8O6S (558.2008920000001)
Cys Trp His Asn
C24H30N8O6S (558.2008920000001)
Cys Trp Asn His
C24H30N8O6S (558.2008920000001)
Cys Tyr His His
C24H30N8O6S (558.2008920000001)
Asp Asp Phe Tyr
Asp Asp Tyr Phe
Asp Phe Asp Tyr
Asp Phe Phe Met
Asp Phe Met Phe
Asp Phe Tyr Asp
Asp Met Phe Phe
Asp Val Tyr Tyr
Asp Tyr Asp Phe
Asp Tyr Phe Asp
Asp Tyr Val Tyr
Asp Tyr Tyr Val
Glu Phe Thr Tyr
Glu Phe Tyr Thr
Glu His His His
Glu Pro Gln Trp
Glu Pro Trp Gln
Glu Gln Pro Trp
Glu Gln Trp Pro
Glu Thr Phe Tyr
Glu Thr Tyr Phe
Glu Trp Pro Gln
Glu Trp Gln Pro
Glu Tyr Phe Thr
Glu Tyr Thr Phe
Phe Asp Asp Tyr
Phe Asp Phe Met
Phe Asp Met Phe
Phe Asp Tyr Asp
Phe Glu Thr Tyr
Phe Glu Tyr Thr
Phe Phe Asp Met
Phe Phe Met Asp
Phe His Gln Gln
Phe Met Asp Phe
Phe Met Phe Asp
Phe Met Met Met
Phe Met Val Tyr
Phe Met Tyr Val
Phe Gln His Gln
Phe Gln Gln His
Phe Thr Glu Tyr
Phe Thr Tyr Glu
Phe Val Met Tyr
Phe Val Tyr Met
Phe Tyr Asp Asp
Phe Tyr Glu Thr
Phe Tyr Met Val
Phe Tyr Thr Glu
Phe Tyr Val Met
His Cys His Tyr
C24H30N8O6S (558.2008920000001)
His Cys Asn Trp
C24H30N8O6S (558.2008920000001)
His Cys Trp Asn
C24H30N8O6S (558.2008920000001)
His Cys Tyr His
C24H30N8O6S (558.2008920000001)
His Glu His His
His Phe Gln Gln
His His Cys Tyr
C24H30N8O6S (558.2008920000001)
His His Glu His
His His His Glu
His His Tyr Cys
C24H30N8O6S (558.2008920000001)
His Asn Cys Trp
C24H30N8O6S (558.2008920000001)
His Asn Trp Cys
C24H30N8O6S (558.2008920000001)
His Gln Phe Gln
His Gln Gln Phe
His Trp Cys Asn
C24H30N8O6S (558.2008920000001)
His Trp Asn Cys
C24H30N8O6S (558.2008920000001)
His Tyr Cys His
C24H30N8O6S (558.2008920000001)
His Tyr His Cys
C24H30N8O6S (558.2008920000001)
Met Asp Phe Phe
Met Phe Asp Phe
Met Phe Phe Asp
Met Phe Met Met
Met Phe Val Tyr
Met Phe Tyr Val
Met Met Phe Met
Met Met Met Phe
Met Val Phe Tyr
Met Val Tyr Phe
Met Tyr Phe Val
Met Tyr Val Phe
Asn Cys His Trp
C24H30N8O6S (558.2008920000001)
Asn Cys Trp His
C24H30N8O6S (558.2008920000001)
Asn His Cys Trp
C24H30N8O6S (558.2008920000001)
Asn His Trp Cys
C24H30N8O6S (558.2008920000001)
Asn Trp Cys His
C24H30N8O6S (558.2008920000001)
Asn Trp His Cys
C24H30N8O6S (558.2008920000001)
Pro Glu Gln Trp
Pro Glu Trp Gln
Pro Gln Glu Trp
Pro Gln Trp Glu
Pro Trp Glu Gln
Pro Trp Gln Glu
Gln Glu Pro Trp
Gln Glu Trp Pro
Gln Phe His Gln
Gln Phe Gln His
Gln His Phe Gln
Gln His Gln Phe
Gln Pro Glu Trp
Gln Pro Trp Glu
Gln Gln Phe His
Gln Gln His Phe
Gln Trp Glu Pro
Gln Trp Pro Glu
Thr Glu Phe Tyr
Thr Glu Tyr Phe
Thr Phe Glu Tyr
Thr Phe Tyr Glu
Thr Tyr Glu Phe
Thr Tyr Phe Glu
Val Asp Tyr Tyr
Val Phe Met Tyr
Val Phe Tyr Met
Val Met Phe Tyr
Val Met Tyr Phe
Val Tyr Asp Tyr
Val Tyr Phe Met
Val Tyr Met Phe
Val Tyr Tyr Asp
Trp Cys His Asn
C24H30N8O6S (558.2008920000001)
Trp Cys Asn His
C24H30N8O6S (558.2008920000001)
Trp Glu Pro Gln
Trp Glu Gln Pro
Trp His Cys Asn
C24H30N8O6S (558.2008920000001)
Trp His Asn Cys
C24H30N8O6S (558.2008920000001)
Trp Asn Cys His
C24H30N8O6S (558.2008920000001)
Trp Asn His Cys
C24H30N8O6S (558.2008920000001)
Trp Pro Glu Gln
Trp Pro Gln Glu
Trp Gln Glu Pro
Trp Gln Pro Glu
Tyr Cys His His
C24H30N8O6S (558.2008920000001)
Tyr Asp Asp Phe
Tyr Asp Phe Asp
Tyr Asp Val Tyr
Tyr Asp Tyr Val
Tyr Glu Phe Thr
Tyr Glu Thr Phe
Tyr Phe Asp Asp
Tyr Phe Glu Thr
Tyr Phe Met Val
Tyr Phe Thr Glu
Tyr Phe Val Met
Tyr His Cys His
C24H30N8O6S (558.2008920000001)
Tyr His His Cys
C24H30N8O6S (558.2008920000001)
Tyr Met Phe Val
Tyr Met Val Phe
Tyr Thr Glu Phe
Tyr Thr Phe Glu
Tyr Val Asp Tyr
Tyr Val Phe Met
Tyr Val Met Phe
Tyr Val Tyr Asp
Tyr Tyr Asp Val
Tyr Tyr Val Asp
PHYSALIN I
Glaucarubol 15-O-b-D-glucopyranoside
Ustiloxin C
Punaglandin 2
Nicansteroidin D
1,3,3-trimethyl-2-[2-phenyl-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indole,perchlorate
Methyl-6-O-(tert.-butyldiphenylsilyl)-2,3,4-tri-O-acetyl-α-D-galactopyranoside
Eravacycline
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01A - Tetracyclines > J01AA - Tetracyclines C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic
Yadanziolide U
A quassinoid that is picras-3-ene substituted by hydroxy groups at positions 1, 11, 12 and 15, oxo groups at positions 2 and 16 and a beta-D-glucopyranosyloxy residue at position 21. It has been isolated from he ethanol extract of the stem of Brucea mollis.
Ananolignan J
A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma
orbiculin H
A dihydroagarofuran sesquiterpenoid that consists of dihydro-beta-agarofuran substituted by acetoxy groups at positions 1 and 8 and furoyloxy groups at positions 6 and 9 (the 1beta,8beta,6alpha,9alpha stereoisomer). Isolated from Celastrus orbiculatus and exhibits inhibition of both NF-kappaB activation and nitric oxide production.
Asn-Trp-Cys-His
C24H30N8O6S (558.2008920000001)
A tetrapeptide composed of L-asparagine, L-tryptophan, L-cysteine and L-histidine joined in sequence by peptide linkages.
(2E)-3-ethyl-2-[(2Z)-2-[[3-ethyl-6-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-5,6-dimethyl-1,3-benzothiazole;chloride
C33H35ClN2S2 (558.1930060000001)
N-[(2R,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide
4-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[4-morpholinyl(oxo)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile
C31H34N4O4S (558.2300644000001)
N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide
N-[(2R,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide
2,2,2-trifluoro-N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-3-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C25H33F3N4O5S (558.2123644000001)
4-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[4-morpholinyl(oxo)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile
C31H34N4O4S (558.2300644000001)
N-[(2S,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide
N-[3-[[(3S,3S,4R,5S)-5-(2-hydroxyethyl)-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyl-2-oxo-1-spiro[indole-3,2-oxolane]yl]methyl]phenyl]acetamide
1-[[(4S,5S)-8-[3-(dimethylamino)prop-1-ynyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
2,2,2-trifluoro-N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C25H33F3N4O5S (558.2123644000001)
2,2,2-trifluoro-N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C25H33F3N4O5S (558.2123644000001)
N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
C27H34N4O5S2 (558.1970514000001)
N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
C27H34N4O5S2 (558.1970514000001)
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1,3-benzothiazole-2-carboxamide
C31H34N4O4S (558.2300644000001)
1-[[(4S,5R)-8-[3-(dimethylamino)prop-1-ynyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
2,2,2-trifluoro-N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide
C25H33F3N4O5S (558.2123644000001)
N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
C27H34N4O5S2 (558.1970514000001)
N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
C27H34N4O5S2 (558.1970514000001)
N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
C27H34N4O5S2 (558.1970514000001)
N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-thiazolylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
C27H34N4O5S2 (558.1970514000001)
N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide
N-[(2S,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide
N-[(2R,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide
[1-Hexanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] octanoate
C23H43O13P (558.2441157999999)
[1-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-pentanoyloxypropan-2-yl] nonanoate
C23H43O13P (558.2441157999999)
[2-Heptanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] heptanoate
C23H43O13P (558.2441157999999)
[1-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] undecanoate
C23H43O13P (558.2441157999999)
[1-Butanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] decanoate
C23H43O13P (558.2441157999999)
[1-Acetyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] dodecanoate
C23H43O13P (558.2441157999999)
Atorvastatin
C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AA - Hmg coa reductase inhibitors D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D004791 - Enzyme Inhibitors > D019161 - Hydroxymethylglutaryl-CoA Reductase Inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C1655 - HMG-CoA Reductase Inhibitor D009676 - Noxae > D000963 - Antimetabolites Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Atorvastatin is an orally active HMG-CoA reductase inhibitor, has the ability to effectively decrease blood lipids. Atorvastatin inhibits human SV-SMC proliferation and invasion with IC50s of 0.39 μM and 2.39 μM, respectively[1][2][3].
rhodomycin D(1+)
An organic cation that is the conjugate acid of rhodomycin D, obtained by protonation of the amino group; major species at pH 7.3.
(rel)-Atorvastatin
GSK864
C30H31FN6O4 (558.2390697999999)
GSK864 is an isocitrate dehydrogenase 1 (IDH1) mutant inhibitor; inhibits IDH1 mutants R132C, R132H, and R132G with IC50 values of 8.8, 15.2 and 16.6 nM.
(1s,2s,3r,4s,7r,9s,10r,12r)-4-(acetyloxy)-1,9,12-trihydroxy-10-(hydroxymethyl)-14,17,17-trimethyl-11,15-dioxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate
methyl (2r)-2-[(1s,2r,5r,6r,11r,12r,13r,15s,17s,18r)-17-(acetyloxy)-6-(furan-3-yl)-11,13-dihydroxy-1,5,15-trimethyl-8,14-dioxo-7-oxapentacyclo[13.2.1.0²,¹¹.0⁵,¹⁰.0¹²,¹⁷]octadec-9-en-18-yl]-2-hydroxyacetate
6-[(2r)-2-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxy-3-methylbutyl]-7-hydroxychromen-2-one
[(2r,3s,4s,5r,6r)-6-{[(3ar,4s,6ar,8s,9ar,9br)-4-hydroxy-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-8-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
6-[(2r)-2,3-dihydroxy-3-methylbutyl]-7-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}chromen-2-one
(22e)-25,26-dihydroxy-10,16-dimethyl-2,5,13,18,27,31-hexaoxaspiro[heptacyclo[22.4.3.1¹⁴,¹⁷.0¹,³.0⁷,¹².0⁷,¹⁶.0²⁴,²⁸]dotriacontane-15,2'-oxirane]-10,20,22-triene-4,19-dione
[(2r,3s,4s,5r,6r)-6-{[(3ar,4r,6ar,8s,9ar,9bs)-4-hydroxy-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-8-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
[(3ar,4s,9ar,9br)-6-methyl-3-methylidene-2-oxo-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-9-yl]methyl 2-(4-hydroxyphenyl)acetate
(1e,6e)-1-{3-[(1s,2e)-1-(3,4-dimethoxyphenyl)but-2-en-1-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
(1s,2r,4s,5r,9r,10r,13r,14s,15s,17r)-9-(furan-3-yl)-15-[(1r)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl propanoate
(8s,9s,10r,11s)-11-(acetyloxy)-3-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2,4,6,13,15-hexaen-8-yl (2e)-2-methylbut-2-enoate
(1r,7r,12r,14r,16s,17r,20z,22e,24r,28r)-25,26-dihydroxy-10,16-dimethyl-2,5,13,18,27,31-hexaoxaspiro[heptacyclo[22.4.3.1¹⁴,¹⁷.0¹,³.0⁷,¹².0⁷,¹⁶.0²⁴,²⁸]dotriacontane-15,2'-oxirane]-10,20,22-triene-4,19-dione
9-methyl-3,6-dimethylidene-2-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-(4-hydroxyphenyl)acetate
methyl 2-[18-(acetyloxy)-6-(furan-3-yl)-15-hydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.0²,¹².0⁵,¹⁰.0¹⁰,¹².0¹³,¹⁸]nonadecan-19-yl]-2-hydroxyacetate
(8s)-13,27-dimethoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1,3,10,12,14(37),16,18,21,23,25,27,30(34),32,35-tetradecaene
(2z,4e)-1-[(1r,2r,6s)-2-(3,4-dimethoxyphenyl)-6-(4-hydroxy-3-methoxyphenyl)cyclohex-3-en-1-yl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dien-1-one
(2r,3r,4s,5s,6s)-2-{[(3as,11as)-6-formyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-10-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 2-(4-hydroxyphenyl)acetate
6-(2-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxy-3-methylbutyl)-7-hydroxychromen-2-one
(2s)-2-{[(2r)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene]amino}-1-hydroxy-3-(1h-indol-3-yl)propylidene]amino}-1-hydroxy-3-sulfanylpropylidene]amino}-3-(3h-imidazol-4-yl)propanoic acid
C24H30N8O6S (558.2008920000001)
(8s,9s,10r)-11-(acetyloxy)-3,9-dihydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2z)-2-methylbut-2-enoate
(2z,4e)-1-[(1r,2s,6s)-2-(3,4-dimethoxyphenyl)-6-(4-hydroxy-3-methoxyphenyl)cyclohex-3-en-1-yl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dien-1-one
3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 7-methoxy-2,2-dimethylchromene-6-carboxylate
11-(acetyloxy)-3,9-dihydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl 2-methylbut-2-enoate
4,5-dihydroxy-2-({4-hydroxy-6-methyl-3-methylidene-2-oxo-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-9-yl}methoxy)-6-(hydroxymethyl)oxan-3-yl 2-(4-hydroxyphenyl)acetate
(1s,2r,4s,5r,9r,10r,13r,14s,15s,17r)-9-(furan-3-yl)-15-[(1s)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl propanoate
(1r,2r,4s,5r,9r,10r,13r,14s,15s,17r)-9-(furan-3-yl)-15-[(1r)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl propanoate
9-(furan-3-yl)-15-(1-hydroxy-2-methoxy-2-oxoethyl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl propanoate
[6-({6-formyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-10-yl}methoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
(2r,3s,4r,5r,6r)-6-{[(3as,5r,9ar,9bs)-5-hydroxy-6-methyl-3-methylidene-2-oxo-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-9-yl]methoxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl 2-(4-hydroxyphenyl)acetate
({[(3r,4s,7s,10s,11r)-3-ethyl-6,9,11,15-tetrahydroxy-13-(2-hydroxyethanesulfinyl)-3,7-dimethyl-10-(methylamino)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),5,8,12,14-pentaen-4-yl](hydroxy)methylidene}amino)acetic acid
5-[(1s,3s,4s,5s,6s,7s,8r,11r,12r,14s,16s,18r,20s,22s,24s,25s)-5,6,11-trihydroxy-3,7,22-trimethyl-13,19,21,26,27-pentaoxaoctacyclo[22.2.1.0¹,¹⁸.0³,¹⁶.0⁴,¹².0⁷,¹¹.0¹²,¹⁴.0²⁰,²⁵]heptacosan-8-yl]pyran-2-one
2',7',9',12'-tetrahydroxy-5,5,8',11',14',14'-hexamethyl-16'-oxo-15'-oxaspiro[1,4-dioxolane-2,4'-tetracyclo[7.4.3.0¹,¹⁰.0³,⁸]hexadecan]-10'-en-5'-yl benzoate
18,23-dihydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.1¹⁵,²².0¹,¹³.0³,⁷.0³,¹⁰.0¹⁷,²¹.0²⁵,²⁹]nonacos-12-ene-5,14,19,24-tetrone
(1e,6e)-1-{3-[(2e)-1-(3,4-dimethoxyphenyl)but-2-en-1-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
(1r,5r,8s,10s,11s,12r,13s,16r,18s)-13-(acetyloxy)-5,8,18-trihydroxy-10-(2-hydroxypropan-2-yl)-7-methyl-4-oxo-3,15-dioxapentacyclo[10.6.0.0¹,⁵.0⁶,¹⁰.0¹³,¹⁶]octadec-6-en-11-yl benzoate
19-hydroxy-10-deacetylbaccatin iii
{"Ingredient_id": "HBIN002190","Ingredient_name": "19-hydroxy-10-deacetylbaccatin iii","Alias": "NA","Ingredient_formula": "C29H34O11","Ingredient_Smile": "CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1=O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)CO)O","Ingredient_weight": "558.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9960","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102216735","DrugBank_id": "NA"}
(3as,4r,6as,8s,9as,9bs)-3,6,9-trimethylidene-2-oxo-8-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydroazuleno[4,5-b]furan-4-yl 2-(4-hydroxyphenyl)acetate
11-(acetyloxy)-9,19-dihydroxy-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl 2-methylbut-2-enoate
(3ar,4r,6ar,8s,9ar,9br)-4-[2-(4-hydroxyphenyl)-2-oxoethoxy]-3,6,9-trimethylidene-8-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydroazuleno[4,5-b]furan-2-one
(1s,4r,5r,6r,7s,8r,11r,13s,16s,17s,18s,19r)-4,5,8,17-tetrahydroxy-6,14,18-trimethyl-16-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-en-9-one
[(1s,2r,4r,4ar,6r,8r,8as)-4-(acetyloxy)-8-(benzoyloxy)-6-ethenyl-4a-hydroxy-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-1,6-dimethyl-5-oxo-hexahydronaphthalen-1-yl]acetic acid
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 7-methoxy-2,2-dimethylchromene-6-carboxylate
8-ethylidene-14-hydroxy-15-(1-hydroxypropan-2-yl)-17-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,6,12-trioxatricyclo[12.2.1.0⁴,⁹]heptadec-4-ene-3,11-dione
(8s,9s,10r,11s)-11-(acetyloxy)-3-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2,4,6,13,15-hexaen-8-yl (2z)-2-methylbut-2-enoate
[(2r,3s,4s,5r,6r)-6-{[(3as,11ar)-6-formyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-10-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
(2r,3s,4s,5s,6s)-2-{[(3ar,4s,9ar,9bs)-4-hydroxy-6-methyl-3-methylidene-2-oxo-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-9-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 2-(4-hydroxyphenyl)acetate
(8r,9r,10r,11s)-11-(acetyloxy)-3-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2,4,6,13,15-hexaen-8-yl (2e)-2-methylbut-2-enoate
1,3,8-tris[(4-hydroxyphenyl)methyl]-4-methoxyphenanthrene-2,7-diol
5-{5,6,11-trihydroxy-3,7,22-trimethyl-13,19,21,26,27-pentaoxaoctacyclo[22.2.1.0¹,¹⁸.0³,¹⁶.0⁴,¹².0⁷,¹¹.0¹²,¹⁴.0²⁰,²⁵]heptacosan-8-yl}pyran-2-one
[(2r,3s,4s,5r,6r)-6-{[(3as,5r,9ar,9bs)-5-hydroxy-6-methyl-3-methylidene-2-oxo-3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-9-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
(1s,3s,5s,7s,10r,14r,16s,19s,21s,22s,23r,26r,27s,30s)-26-hydroxy-8,8,19,21,26-pentamethyl-4,9,13,24,28,29-hexaoxanonacyclo[14.12.1.1¹,¹⁹.0³,⁵.0³,¹⁶.0⁷,¹⁴.0¹⁰,¹⁴.0²³,²⁷.0²²,³⁰]triacontane-2,12,20,25-tetrone
methyl (2s)-2-[(1s,2r,5s,6s,10s,12s,13r,15s,16r,18s,19s)-18-(acetyloxy)-6-(furan-3-yl)-15-hydroxy-1,5,16-trimethyl-8,14-dioxo-7,11-dioxahexacyclo[14.2.1.0²,¹².0⁵,¹⁰.0¹⁰,¹².0¹³,¹⁸]nonadecan-19-yl]-2-hydroxyacetate
2-{[(4e,12e)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
[(2r,3s,4s,5r,6r)-6-{[(3s,3as,9as,9bs)-3,6-dimethyl-2,7-dioxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-9-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
({[3-ethyl-6,9,11,15-tetrahydroxy-13-(2-hydroxyethanesulfinyl)-3,7-dimethyl-10-(methylamino)-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(16),5,8,12,14-pentaen-4-yl](hydroxy)methylidene}amino)acetic acid
(3ar,4r,6ar,9ar,9br)-9-methyl-3,6-dimethylidene-2-oxo-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl 2-(4-hydroxyphenyl)acetate
methyl 5,6,7-tris(acetyloxy)-7-[4-chloro-2-hydroxy-2-(oct-2-en-1-yl)-5-oxocyclopent-3-en-1-yl]heptanoate
(1r,3s,7s,10r,15r,17r,18s,21s,22r,23s,25r,29r)-18,23-dihydroxy-9,9,18,23,25-pentamethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.1¹⁵,²².0¹,¹³.0³,⁷.0³,¹⁰.0¹⁷,²¹.0²⁵,²⁹]nonacos-12-ene-5,14,19,24-tetrone
(2e,4z)-1-[2-(3,4-dimethoxyphenyl)-6-(4-hydroxy-3-methoxyphenyl)cyclohex-3-en-1-yl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dien-1-one
(1r,3s,7r,9s,16s,17r,20z,23z)-28-hydroxy-10,16-dimethyl-4,19-dioxo-2,5,13,18,25-pentaoxaspiro[hexacyclo[22.3.1.1¹⁴,¹⁷.0¹,³.0⁷,¹².0⁷,¹⁶]nonacosane-15,2'-oxirane]-10,20,23-trien-9-yl acetate
(8r,9s,10r,11r)-11-(acetyloxy)-3-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2,4,6,13,15-hexaen-8-yl (2z)-2-methylbut-2-enoate
(1s,2s,5s,6s,7s,9r,12r)-5,12-bis(acetyloxy)-6-[(acetyloxy)methyl]-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl (2e)-3-phenylprop-2-enoate
methyl 2-[1-(acetyloxy)-8-(furan-3-yl)-3-hydroxy-7,16,18-trimethyl-10,15-dioxo-9,13-dioxahexacyclo[14.2.1.0²,¹⁴.0³,¹².0⁴,¹⁸.0⁷,¹²]nonadecan-17-yl]-2-hydroxyacetate
15-hydroxy-8-methoxy-11,18,21-trimethyl-5,17,24,28,29-pentaoxanonacyclo[17.9.1.1¹,²⁰.0²,¹².0⁴,⁶.0⁶,¹¹.0¹⁵,¹⁹.0¹⁸,²³.0²¹,²⁶]triacontane-10,16,25,30-tetrone
(8r,10r)-6,8,11-trihydroxy-10-{[(2r,3s,4s,5s,6r)-3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl]oxy}-1-methoxy-2,8-dimethyl-9,10-dihydro-7h-tetracene-5,12-dione
13-(acetyloxy)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-20-yl acetate
6-(2,3-dihydroxy-3-methylbutyl)-7-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}chromen-2-one
(2s)-3-{[(2r)-3-(3-chloro-4-methoxyphenyl)-1-hydroxy-2-{[(2e)-1-hydroxy-4-(4-hydroxy-3-methyl-5-phenyloxolan-2-yl)but-2-en-1-ylidene]amino}propylidene]amino}-2-methylpropanoic acid
C29H35ClN2O7 (558.2132670000001)