Exact Mass: 454.2831
Exact Mass Matches: 454.2831
Found 500 metabolites which its exact mass value is equals to given mass value 454.2831
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within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Verapamil
Verapamil is only found in individuals that have used or taken this drug. Verapamil is a calcium channel blocker that is a class IV anti-arrhythmia agent. [PubChem]Verapamil inhibits voltage-dependent calcium channels. Specifically, its effect on L-type calcium channels in the heart causes a reduction in ionotropy and chronotropy, thuis reducing heart rate and blood pressure. Verapamils mechanism of effect in cluster headache is thought to be linked to its calcium-channel blocker effect, but which channel subtypes are involved is presently not known. [PubChem] Calcium channel antagonists can be quite toxic. In the management of poisoning, early recognition is critical. Calcium channel antagonists are frequently prescribed, and the potential for serious morbidity and mortality with over dosage is significant. Ingestion of these agents should be suspected in any patient who presents in an overdose situation with unexplained hypotension and conduction abnormalities. The potential for toxicity should be noted in patients with underlying hepatic or renal dysfunction who are receiving therapeutic doses. (PMID 8213877). C - Cardiovascular system > C08 - Calcium channel blockers > C08D - Selective calcium channel blockers with direct cardiac effects > C08DA - Phenylalkylamine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker A calcium channel blocker that is a class IV anti-arrhythmia agent. -- Pubchem; COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents CONFIDENCE standard compound; INTERNAL_ID 8557 CONFIDENCE standard compound; INTERNAL_ID 2260 CONFIDENCE standard compound; INTERNAL_ID 4081 D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker KEIO_ID V021; [MS2] KO009311 Corona-virus KEIO_ID V021 Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Withanolide B
Withanolide B is found in herbs and spices. Withanolide B is a constituent of the leaves of Lycium chinense (Chinese boxthorn) Withanolide B is an active component of W. somnifera Dunal. Withanolide B promotes osteogenic differentiation of hBMSCs via ERK1/2 and Wnt/β-catenin signaling pathways. Withanolide B exhibits neuroprotective, anti-arthritic, anti-aging and anti-cancer effects[1][2][3]. Withanolide B is an active component of W. somnifera Dunal. Withanolide B promotes osteogenic differentiation of hBMSCs via ERK1/2 and Wnt/β-catenin signaling pathways. Withanolide B exhibits neuroprotective, anti-arthritic, anti-aging and anti-cancer effects[1][2][3].
Macrocarpal C
Macrocarpal C is isolated from Eucalyptus globulus (Tasmanian blue gum). Isolated from Eucalyptus globulus (Tasmanian blue gum)
Euglobal VII
Euglobal VII is a constituent of Eucalyptus globulus (Tasmanian blue gum) Constituent of Eucalyptus globulus (Tasmanian blue gum).
Euglobal IVa
Euglobal IVb is a constituent of Eucalyptus globulus (Tasmanian blue gum)
Ceanothenic acid
Ceanothenic acid is found in tea. Ceanothenic acid is a constituent of Ceanothus americanus (New Jersey tea). Constituent of Ceanothus americanus (New Jersey tea). Ceanothenic acid is found in tea.
Euglobal III
Euglobal III is a constituent of Eucalyptus globulus (Tasmanian blue gum)
Euglobal V
Euglobal V is a constituent of Eucalyptus globulus (Tasmanian blue gum) Constituent of Eucalyptus globulus (Tasmanian blue gum).
Ubiquinone-4
Ubiquinone-4 is a member of the chemical class known as Polyprenylbenzoquinones. These are compounds containing a polyisoprene chain attached to a quinone at the second ring position. Ubiquione-4 has just 4 isoprene units. Normally in humans it has 10 (CoQ10). Ubiquinone-4 is an intermediate in the synthesis of Ubiquionone 10. Ubiquinone-4 is a Coenzyme Q analogue that have been identified in brain. Based on the isoprenoid moiety, the presence of various coenzyme Q homologues in prokaryotes and eurkaryotes has been confirmed, and these homologues are classified as Q1, Q2, Q3, Q4, Q5, Q6, Q7, Q8, Q9, Q10, Q11, and Q12. The numbers, Qn, refer to the number of isoprenoid units attached at the 6- position on the benzoquinone ring of the coenzyme Q moiety. (PMID: 12064350) Coenzyme Q is the only type of Quinone naturally found in animals (other quinones such as vitamin K is provided by foods). Coenzyme Q is a fat-soluble and amphipathic compound that is the integral component of the electron transport chain in mitochondria. It is ubiquitous in nature and is found in subcellular organelles, serum lipoproteins, blood plasma, urine, and feces. Ubiquinones are amphipathic because of the benzoquinone ring (hydrophilic) and the polyisoprenoid side chain moiety (lipophilic). The primary role of coenzyme Q is to transfer electrons between redox components of the electron transport chain, to create a proton gradient across the inner mitochondrial membrane and drive ATP formation. Additional functions of coenzyme Q are to influence membrane fluidity; to recycle the radical forms of vitamin C and E; and, most important, to act as a lipid antioxidant protecting membrane phospholipids against peroxidation. Coenzyme Q is the only endogenously occurring lipid-soluble antioxidant that occurs ubiquitously and can be synthesized in all organisms. Isolated from various yeasts
13'-Carboxy-alpha-tocotrienol
13-carboxy-alpha-tocotrienol is a dehydrogenation carboxylate product of 13-hydroxy-a-tocotrienol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate. Tocotrienols are members of the vitamin E family. An essential nutrient for the body, vitamin E is made up of four tocopherols (alpha, beta, gamma, delta) and four tocotrienols (alpha, beta, gamma, delta).Chemically, vitamin E is an antioxidant. One model for the function of vitamin E in the body is that it protects cell membranes, active enzyme sites, and DNA from free radical damage. Tocotrienols are natural compounds found in select vegetable oils, wheat germ, barley, saw palmetto, and certain types of nuts and grains. This variant of vitamin E only occur at very low levels in nature. While the majority of research on vitamin E has focused on alpha-tocopherol, studies into tocotrienols account for less than 1\\% of all research into vitamin E. 13-carboxy-alpha-tocotrienol is a dehydrogenation carboxylate product of 13-hydroxy-a-tocotrienol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate
Ezlopitant
DG(2:0/20:3(8Z,11Z,14Z)-2OH(5,6)/0:0)
DG(2:0/20:3(8Z,11Z,14Z)-2OH(5,6)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(2:0/20:3(8Z,11Z,14Z)-2OH(5,6)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(20:3(8Z,11Z,14Z)-2OH(5,6)/2:0/0:0)
DG(20:3(8Z,11Z,14Z)-2OH(5,6)/2:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(20:3(8Z,11Z,14Z)-2OH(5,6)/2:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(2:0/0:0/20:3(8Z,11Z,14Z)-2OH(5,6))
DG(2:0/0:0/20:3(8Z,11Z,14Z)-2OH(5,6)) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(20:3(8Z,11Z,14Z)-2OH(5,6)/0:0/2:0)
DG(20:3(8Z,11Z,14Z)-2OH(5,6)/0:0/2:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
1-(4-O-beta-D-glucopyranosyl-3-methoxyphenyl)-3,5-dihydroxydecane
1-(4-o-beta-d-glucopyranosyl-3-methoxyphenyl)-3,5-dihydroxydecane is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 1-(4-o-beta-d-glucopyranosyl-3-methoxyphenyl)-3,5-dihydroxydecane can be found in ginger, which makes 1-(4-o-beta-d-glucopyranosyl-3-methoxyphenyl)-3,5-dihydroxydecane a potential biomarker for the consumption of this food product.
Ile-Ile-Ile-Pro
Verapamil
C - Cardiovascular system > C08 - Calcium channel blockers > C08D - Selective calcium channel blockers with direct cardiac effects > C08DA - Phenylalkylamine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 674 EAWAG_UCHEM_ID 674; CONFIDENCE standard compound D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(5alpha,17alphaOH,22R)-5,17-Dihydroxy-1-oxowitha-2,6,24-trienolide
27-hydroxy-3-oxo-9beta-lanosta-7,24-dien-26,23R-olide
24,25,26,27-tetranor-apotirucalla(-apoeupha)-7alpha-acetoxy-1,14,20(22)-trien-3-oxo-23-oic acid|azadironic acid
(3aS,5R,5aS,7R,8S,9R,9aS,9bR)-dodecahydro-3a,7,8,9b-tetrahydroxy-5,8-dimethyl-1-methylidenenaphtho[2,1-b]furan-9-yl decanoate|strobilol K
jaborosalactone L|jaborosalactone-L|jaboroslactone-L
4alpha-methylergosta-8,24(28)-diene-3,11-dione-26-oic acid|antcin A
(4beta,22R)-4,27-Dihydroxy-1-oxowitha-2,5,24-trienolide
(20R,22R)-14beta,20beta-dihydroxy-1-oxowitha-3,5,24-trienolide|withacoagulin F
(3-Acetylglyceryl)ester 鈥樎?ent-13S)-8,9-Dioxo-8,9-seco-15-labdanoic acid
2alpha,3beta-dihydroxy-24-nor-urs-4(23),11-dien-28,13beta-olide|ilekudinol A
17beta-hydroxy-3,11,16-trioxo-28-norolean-12-ene|17??-Hydroxy-3,11,16-trioxo-28-norolean-12-ene
2-methyl-5,5-[(8Z)-hexadec-8-ene-1,16-diyl]bisresorcinol
13,27-cyclo-19alpha-hydroxy-3-oxo-24-nor-olean-11-en-28-oic acid|donellanic acid A
11alpha,12alpha-epoxy-3beta-hydroxy-24-nor-olean-4(23)-en-28,13beta-olide
(2S,5S,8R,9S,10R,13S)-2-hydroperoxy-13-O-arabinopyranosyl-3,14-clerodadiene
(22R)-7alpha,27-dihydroxy-1-oxowitha-2,5,24-trienolide
3beta-hydroxy-1-oxo-30-norolean-12,20(29)-dien-28-oic acid|euscaphic acid H
3beta-hydroxyl-21/23,23/27-diepoxy-29-nor-5alpha-cycloart-24-en-27-one|aphagrandinoid A
(1R,3aS,3bS,4aS,5aS,6S,9aS,9bS,11aR)-6,9a,11a-trimethyl-1-((R)-6-methylhept-5-en-2-yl)dodecahydro-9b,3a-(epoxymethano)cyclopenta[7,8]phenanthro[8a,9-b]oxirene-7,13(8H)-dione|29-nor-3-oxo-7beta,8beta-epoxy-5alpha-lanost-24-en-30,9alpha-olide
20,21,22,23-tetrahydro-23-oxoazadirone|chisocheton F
2,3,22beta-trihydroxy-24,29-dinor-1,3,5(10)-friedelatriene-6,21-dione|22beta-hydroxy-7,8 dihydro-6-oxotingenol
10(14)-pseudoguaien-8alpha-(3-methylbutyryloxy)-11-O-beta-D-xylopyranoside|echusoside
(22R)-4beta,27-dihydroxy-1-oxo-witha-2,5,24-trienolide|4beta,27-dihydroxy-1-oxo-22R-witha-2,5,24-trienolide|5,6-deoxywithaferin A|5,6-desoxywithaferin A
Withanolide B
Withanolide B is a withanolide. Withanolide B is a natural product found in Withania somnifera, Withania coagulans, and Datura metel with data available. Withanolide B is an active component of W. somnifera Dunal. Withanolide B promotes osteogenic differentiation of hBMSCs via ERK1/2 and Wnt/β-catenin signaling pathways. Withanolide B exhibits neuroprotective, anti-arthritic, anti-aging and anti-cancer effects[1][2][3]. Withanolide B is an active component of W. somnifera Dunal. Withanolide B promotes osteogenic differentiation of hBMSCs via ERK1/2 and Wnt/β-catenin signaling pathways. Withanolide B exhibits neuroprotective, anti-arthritic, anti-aging and anti-cancer effects[1][2][3].
Chisocheton compound F
20,21,22,23-tetrahydro-23-oxoazadirone is a limonoid that is 20,21,22,23-tetrahydroazadirone substituted by an additional oxo group at position 23. It has been isolated from Azadirachta indica. It has a role as a metabolite and a plant metabolite. It is an acetate ester, a cyclic terpene ketone, a limonoid, a tetracyclic triterpenoid and a butan-4-olide. It is functionally related to an azadirone. 20,21,22,23-Tetrahydro-23-oxoazadirone is a natural product found in Azadirachta indica, Cedrela odorata, and other organisms with data available. A limonoid that is 20,21,22,23-tetrahydroazadirone substituted by an additional oxo group at position 23. It has been isolated from Azadirachta indica.
Verapamil
C - Cardiovascular system > C08 - Calcium channel blockers > C08D - Selective calcium channel blockers with direct cardiac effects > C08DA - Phenylalkylamine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS relative retention time with respect to 9-anthracene Carboxylic Acid is 0.907 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.908
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Coenzyme Q4
26,26,26-trifluoro-25-hydroxyvitamin D3 / 26,26,26-trifluoro-25-hydroxycholecalciferol
(5Z,7E)-(1S,3R)-24a,24b-dihomo-24a,24b-epoxy-9,10-seco-5,7,10(19)-cholestatriene-23-yne-1,3,25-triol
Withanolide B
Withanolide B is an active component of W. somnifera Dunal. Withanolide B promotes osteogenic differentiation of hBMSCs via ERK1/2 and Wnt/β-catenin signaling pathways. Withanolide B exhibits neuroprotective, anti-arthritic, anti-aging and anti-cancer effects[1][2][3]. Withanolide B is an active component of W. somnifera Dunal. Withanolide B promotes osteogenic differentiation of hBMSCs via ERK1/2 and Wnt/β-catenin signaling pathways. Withanolide B exhibits neuroprotective, anti-arthritic, anti-aging and anti-cancer effects[1][2][3].
Euglobal IVa
Euglobal VII
Euglobal V
Euglobal III
Ceanothenic acid
macrocarpal C
26,26,26-trifluoro-25-hydroxyvitamin D3
24a,24b-epoxy-23-tetradehydro-24a,24b-dihomo-1alpha,25-dihydroxyvitamin D3
2,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrene
dexverapamil
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
(R)-octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate
4-(n-Decyloxy)benzoic acid,4-(n-hexyloxy)phenyl ether
TRIISOPROPYL((4-((4-((TRIMETHYLSILYL)ETHYNYL)PHENYL)ETHYNYL)PHENYL)ETHYNYL)SILANE
(S)-Octan-2-yl 4-((4-(hexyloxy)benzoyl)oxy)benzoate
26,26,26-trifluoro-25-hydroxyvitamin D3/26,26,26-trifluoro-25-hydroxycholecalciferol
24a,24b-epoxy-23-tetradehydro-24a,24b-dihomo-1alpha,25-dihydroxyvitamin D3/24a,24b-epoxy-23-tetradehydro-24a,24b-dihomo-1alpha,25-dihydroxycholecalciferol
10-Deoxymethymycin(1+)
An ammonium ion resulting from the protonation of the amino group of 10-deoxymethymycin. Major species at pH 7.3.
1-(4-O-beta-D-glucopyranosyl-3-methoxyphenyl)-3,5-dihydroxydecane
Wilforic acid
A pentacyclic triterpenoid with formula C29H42O4, originally isolated from Tripterygium sp.
1,2-Dicaproyl-sn-glycero-3-phosphocholine
A 1,2-diacyl-sn-glycero-3-phosphocholine(1+) that is the dicaproyl diester of phosphatidiylcholine.
3-cyclohexyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[3-(4-morpholinyl)propyl]urea
3-cyclohexyl-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-1-[2-(1-pyrrolidinyl)ethyl]urea
N-[[(2R,4S,5R)-5-[5-(3,4-dimethoxyphenyl)-2-methylpyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-2-ethylbutanamide
2-{[(17beta-hydroxyandrost-4-en-3-ylidene)amino]oxy}-N-[2-(1H-imidazol-4-yl)ethyl]acetamide
5alpha-Androstane-3alpha-glcosyl-17beta-diol
A steroid saponin that is 5alpha-androstane-3alpha,17beta-diol attached to a alpha-D-glucopyranosyl residue at position 3 via a glycosidic linkage.
(1S)-N-cyclohexyl-1-(hydroxymethyl)-7-methoxy-1,9-dimethyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]carboxamide
1-[(2R,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea
1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea
1-[(2R,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea
1-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea
N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
(1S)-2-(2-cyclopropyl-1-oxoethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propan-2-yl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide
2-[[(2S)-2,3-di(hexanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
1-[(2R,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea
1-[(2R,3R)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-phenylurea
N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
(1R)-N-cyclohexyl-1-(hydroxymethyl)-7-methoxy-1,9-dimethyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]carboxamide
[O-(1-O-Tridecanoyl-L-glycero-3-phospho)choline]anion
N,N,N-Trimethyl-2-[[2,3-bis(hexanoyloxy)propoxy]phosphonyloxy]ethanaminium
2,3-dihydroxypropyl [2-hydroxy-3-[(Z)-pentadec-9-enoxy]propyl] hydrogen phosphate
2-[Hydroxy-(2-hydroxy-3-tridecanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
[1-carboxy-3-[2-hydroxy-3-[(6E,9E,12E)-pentadeca-6,9,12-trienoyl]oxypropoxy]propyl]-trimethylazanium
2-[(3-Butanoyloxy-2-octanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[(3-Acetyloxy-2-decanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[(2-Heptanoyloxy-3-pentanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[Hydroxy-(2-nonanoyloxy-3-propanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
2-[Hydroxy-(3-octoxy-2-pentanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
2-[(3-Decoxy-2-propanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[(2-Butanoyloxy-3-nonoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[(2-Acetyloxy-3-undecoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-4-en-3-one
(1r,3br,4s,5r,5as,9ar,9br,11as)-1-(4,5-dihydrofuran-3-yl)-5-hydroxy-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
6-(1-{5a-hydroxy-9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-1-hydroxyethyl)-3,4-dimethyl-5,6-dihydropyran-2-one
3b,6,6,9a,11a-pentamethyl-7-oxo-1-(5-oxooxolan-3-yl)-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
5,7-dihydroxy-3-(7-hydroxyoctan-2-yl)-9-isopropyl-6-methyl-3h,4h,5h,6h,9h,12h,13h,14h,14ah-pyrrolo[2,1-c]1-oxa-4,7-diazacyclododecane-1,10-dione
2-[(4e,8e)-10-(5-hydroxy-2-methoxy-3-methylphenyl)-4,8-dimethyl-6-oxodeca-4,8-dien-1-yl]-2,6,6-trimethylpyran-3-one
(1s,2r,7s,9r,11s,12s,15r,16s)-15-[(1s)-1-[(2s)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadec-4-en-3-one
2-[(2e)-4-[(1s,4'r,4as,7as)-4'-methoxy-4a,5',5',7a-tetramethyl-6,7-dihydro-5h-spiro[cyclopenta[c]pyran-1,2'-oxolan]-3-yl]-3-methylbut-2-en-1-yl]-6-methylcyclohexa-2,5-diene-1,4-dione
(1s,4r,6s,7e,11r,12s)-14,16-dihydroxy-1,5,5,8-tetramethyl-12-(2-methylpropyl)-19-oxatetracyclo[9.8.0.0⁴,⁶.0¹³,¹⁸]nonadeca-7,13,15,17-tetraene-15,17-dicarbaldehyde
(2r,6r)-6-[(1r,3ar,5ar,6s,9as,11ar)-6,9a,11a-trimethyl-7,10-dioxo-1h,2h,3h,3ah,4h,5h,5ah,6h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methyl-3-methylideneheptanoic acid
6-(1-{3a-hydroxy-9a,11a-dimethyl-9-oxo-1h,2h,3h,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-1-hydroxyethyl)-3,4-dimethyl-5,6-dihydropyran-2-one
(6r)-6-[(1s)-1-[(1r,3as,3bs,6s,9ar,9bs,11as)-6-hydroxy-9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethyl]-3-(hydroxymethyl)-4-methyl-5,6-dihydropyran-2-one
(3r,5s,6r,9r,14ar)-5,7-dihydroxy-3-[(2s,7r)-7-hydroxyoctan-2-yl]-9-isopropyl-6-methyl-3h,4h,5h,6h,9h,12h,13h,14h,14ah-pyrrolo[2,1-c]1-oxa-4,7-diazacyclododecane-1,10-dione
(1s,3br,4r,5ar,9ar,9br,11as)-3b,6,6,9a,11a-pentamethyl-7-oxo-1-[(3s)-5-oxooxolan-3-yl]-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
(2r,4s,4ar,6ar,6br,12br,14as,14bs)-4,10,11-trihydroxy-2,4a,6a,9,12b,14a-hexamethyl-1,2,4,5,6,6b,7,13,14,14b-decahydropicene-3,8-dione
(1s,2s,4r,5s,10r,11s,14r,15r,18s)-15-[(1r)-1-[(2s,3s)-3-hydroxy-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-10,14-dimethyl-3-oxapentacyclo[9.7.0.0²,⁴.0⁵,¹⁰.0¹⁴,¹⁸]octadec-7-en-9-one
(2s,3r,4r,4as,7r,8s,8as)-8-(acetyloxy)-2,4,7,8a-tetramethyl-6-oxo-hexahydropyrano[3,2-b]pyran-3-yl (2e,4s)-4-hydroxydec-2-enoate
(2r,3r,4r,5s)-2-{[(2r,4as,4br,7s,10as)-7-[(1r)-1,2-dihydroxyethyl]-1,1,4a,7-tetramethyl-3,4,4b,5,6,8,10,10a-octahydro-2h-phenanthren-2-yl]oxy}-5-(hydroxymethyl)oxolane-3,4-diol
(6r)-6-[(1r)-1-[(1s,3ar,3br,9ar,9bs,11ar)-3a-hydroxy-9a,11a-dimethyl-9-oxo-1h,2h,3h,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-hydroxyethyl]-3,4-dimethyl-5,6-dihydropyran-2-one
8-{9a,11a-dimethyl-9-oxo-1h,2h,3h,3ah,3bh,4h,6h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-4-(hydroxymethyl)-5-methyl-2,6-dioxabicyclo[3.3.1]nonan-3-one
3-benzyl-5,14-dihydroxy-12-(2-methylpropyl)-1,4,10,13-tetraazatricyclo[13.3.0.0⁶,¹⁰]octadeca-4,13-diene-2,11-dione
17β-hydroxy-3,11,16-trioxo-28-norolean-12-ene
{"Ingredient_id": "HBIN001995","Ingredient_name": "17\u03b2-hydroxy-3,11,16-trioxo-28-norolean-12-ene","Alias": "NA","Ingredient_formula": "C29H42O4","Ingredient_Smile": "CC1(CCC2(C(C1)C3=CC(=O)C4C5(CCC(=O)C(C5CCC4(C3(CC2=O)C)C)(C)C)C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10812","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}