Exact Mass: 444.226
Exact Mass Matches: 444.226
Found 500 metabolites which its exact mass value is equals to given mass value 444.226
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Austalide J
Austalide J is a mycotoxin of the food storage mould (Aspergillus ustus Mycotoxin of the food storage mould (Aspergillus ustus)
desmethylastemizole
desmethylastemizole is a metabolite of astemizole. Astemizole (R43512, marketed under the brand name Hismanal) was a second generation antihistamine drug which has a long duration of action. Astemizole was discovered by Janssen Pharmaceutica in 1977. It has been withdrawn from the market in most countries because of rare but potentially fatal side effects. (Wikipedia)
Histidinohydroxylysinonorleucine
VIBEGRON
[4S-[4alpha(Z),4aalpha,5alpha,6alpha(Z),8aalpha]]-4,4a,5,6,7,8,8a,9-Octahydro-3,4a-dimethyl-4,6-bis[(2-methyl-1-oxo-2-butenyl)oxy]-naphtho[2,3-b]furan-5-carboxylic acid
3alpha-Angeloyloxy-2alpha,4beta-dihydroxy-15,16-epoxy-cis-clerodane-1(10),13(16),14-trien-20,12-olide
6beta-Angeloyloxy-10beta-hydroxy-3alpha,4alpha,15,16-bisepoxy-8betaH-cleroda-13(16),14-diene-20,12-olide
21-hydroxy-10-methoxy-1,4,14,19,19-pentamethyl-2,7,18-trioxapentacyclo[11.9.0.0(3),(1)(1).0,.0(1),(2)]docosa-3(11),4,9-triene-8,17-dione
(+)-rel-(1aR,3aS,8bS,8cS)-1a,2,3,3a,8b,8c-hexahydro-8-(6-hydroxybenzofuran-2-yl)-1,1,3a-trimethyl-7-(3-methylbut-2-enyl)-1H-4-oxabenzo[f]cyclobut[cd]inden-6-ol|artopetelin G
1alpha-Hydroxy-3beta-senecioyloxy-6-O-tigloylsteiractinolid
3,4-dimethoxy-benzoic acid 9-hydroxy-11-oxo-dodecahydro-7,14-methano-dipyrido[1,2-a;1,2-e][1,5]diazocin-2-yl ester|Catalauverin
(10aR,12aS,12bR,13aR)-10a,11,12a,12b,13,13a-hexahydro-10a,13,13-trimethyl-2-(3-methylbut-2-enyl)-12H-5,10-dioxacyclobuta[cd]dibenzo[3,4:6,7]cyclohepta[1,2-f]indene-3,7-diol|artocarpol A
8beta-5-(4-hydroxytigloyloxy)-tigloyloxy costunolide|8beta-5-<4-hydroxytigloyloxy>-tigloyloxy costunolide
3-[[2,4-dihydroxy-6-methoxy-5-(3-methyl-2-butenyl)-3-(2-methyl-1-oxopropyl)phenyl]-methyl]-6-ethyl-4-hydroxy-5-methyl-2 h -pyran-2-one
1,2,11,12,13,14,15,15a-octahydro-15,15,18,18-tetramethyl-11,9b,14-ethanylidene-1,13-methano-9bH-benzo[b]cyclobuta[g]oxocino[2,3-d][1]benzoxepin-3,7-diol|artocarpol C
8-beta-(5-angeloyloxy)-tigloyloxyparthenolide|8-beta-<5-angeloyloxy>-tigloyloxyparthenolide
11alpha-angeloyloxy-1beta,2beta-epoxy-3beta-senecioyloxy-5betaH,6alphaH,7alphaH,10alphaMe-eudesm-4(15)-en-6,12-olide
1alpha-Hydroxy-6-O-tigloyl-3beta-tigloyloxysteiractinolid
3-[[2,4-dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)-5-(2-methyl-1-oxopropyl)phenyl]-methyl]-6-ethyl-4-hydroxy-5-methyl-2 h -pyran-2-one
(5beta,6beta,7beta,8alpha,11alpha)-11-(angeloyloxy)-8-(isovaleryloxy)-2-oxoguaia-1(10),3-dieno-6,12-lactone|daucoguaianolactone A|rel-(3R,3aS,4R,9aS,9bR)-2,3,3a,4,5,7,9a,9b-octahydro-3,6,9-trimethyl-4-(3-methyl-1-oxobutoxy)-2,7-dioxo-azuleno[4,5-b]furan-3-yl (2Z)-2-methylbut-2-enoate
6beta-angeloyloxy-9beta-(2-methylbutyryloxy)-8-epizinamultifluoride|6beta-angeloyloxy-9beta-<2-methylbutyryloxy>-8-epizinamultifluoride
(5beta,6beta,7beta,8alpha,11alpha)-8-(angeloyloxy)-11-[(2-methylbutyryl)oxy]-2-oxo-guaia-1(10),3-dieno-6,12-lactone|daucoguaianolactone E|rel-(3R,3aS,4R,9aS,9bR)-2,3,3a,4,5,7,9a,9b-octahydro-3,6,9-trimethyl-3-(2-methyl-1-oxobutoxy)-2,7-dioxo-azuleno[4,5-b]furan-4-yl (2Z)-2-methylbut-2-enoate
2beta,8alpha-di-angeloyloxy-10beta-hydroxy-6alphaH-guaian-3,(7-11)-dien-12,6-olide
1beta,3beta,5beta,14beta-tetrahydroxy-19-oxocard-20(22)-en-23,21-olide 1,3,5-orthoacetate|kalantubolide A
3alpha-angeloyloxy-4beta,10beta-dihydroxy-15,16-epoxy-cis-clerodane-8(17),13(16),14-trien-20,12-olide
1beta,3beta,5beta,14beta-tetrahydroxy-19-oxocard-20(22)-en-21,23-olide 1,3,5-orthoacetate|kalantubolide B
14-acetoxy-2alpha-isovaleryloxy-cacalol propionate
6beta-(2-Methylbutyryloxy)-isochiliolide lactone|6beta-<2-Methylbutyryloxy>-isochiliolide lactone
hesseltin A
An organic heteropentacyclic compound with a mixed polyketide-terpenoid origin isolated from Penicillium hesseltinei. It has been shown to exhibit antiviral activity.
3beta,6beta-bis(angeloyloxy)furanoeremophilan-15-oic acid
(5beta,6beta,7beta,8alpha,11alpha)-11-(angeloyloxy)-8-[(2-methylbutyryl)oxy]-2-oxo-guaia-1(10),3-dieno-6,12-lactone|daucoguaianolactone D|rel-(3R,3aS,4R,9aS,9bR)-2,3,3a,4,5,7,9a,9b-octahydro-3,6,9-trimethyl-4-(2-methyl-1-oxobutoxy)-2,7-dioxo-azuleno[4,5-b]furan-3-yl (2Z)-2-methylbut-2-enoate
1,3-benzenediol, 5-(7,7-dimethyl-7H-furo[2,3-f][1]benzopyran-2-yl)-4,6-bis(3-methyl-2-butenyl)-
C25H32O7_Furo[3,4-i]pyrano[3,2-a]xanthene-3,11-dione, 1,2,4a,5,6,6a,9,13,13a,13b-decahydro-4a-(1-hydroxy-1-methylethyl)-12-methoxy-6a,8,13b-trimethyl-, (6aS,13aR,13bR)
21-hydroxy-10-methoxy-1,4,14,19,19-pentamethyl-2,7,18-trioxapentacyclo[11.9.0.0³,¹¹.0⁵,⁹.0¹⁴,²⁰]docosa-3(11),4,9-triene-8,17-dione
21-hydroxy-10-methoxy-1,4,14,19,19-pentamethyl-2,7,18-trioxapentacyclo[11.9.0.0³,¹¹.0⁵,⁹.0¹⁴,²⁰]docosa-3(11),4,9-triene-8,17-dione_major
21-hydroxy-10-methoxy-1,4,14,19,19-pentamethyl-2,7,18-trioxapentacyclo[11.9.0.0³,¹¹.0⁵,⁹.0¹⁴,²⁰]docosa-3(11),4,9-triene-8,17-dione_31.2\\%
21-hydroxy-10-methoxy-1,4,14,19,19-pentamethyl-2,7,18-trioxapentacyclo[11.9.0.0³,¹¹.0?,?.0¹?,²?]docosa-3(11),4,9-triene-8,17-dione
Ala Ile Asn Gln
Ala Ile Gln Asn
Ala Leu Asn Gln
Ala Leu Gln Asn
Ala Asn Ile Gln
Ala Asn Leu Gln
Ala Asn Gln Ile
Ala Asn Gln Leu
Ala Gln Ile Asn
Ala Gln Leu Asn
Ala Gln Asn Ile
Ala Gln Asn Leu
Ala Gln Gln Val
Ala Gln Val Gln
Ala Val Gln Gln
Asp Ile Pro Thr
Asp Ile Thr Pro
Asp Leu Pro Thr
Asp Leu Thr Pro
Asp Pro Ile Thr
Asp Pro Leu Thr
Asp Pro Thr Ile
Asp Pro Thr Leu
Asp Thr Ile Pro
Asp Thr Leu Pro
Asp Thr Pro Ile
Asp Thr Pro Leu
Glu Ile Pro Ser
Glu Ile Ser Pro
Glu Leu Pro Ser
Glu Leu Ser Pro
Glu Pro Ile Ser
Glu Pro Leu Ser
Glu Pro Ser Ile
Glu Pro Ser Leu
Glu Pro Thr Val
Glu Pro Val Thr
Glu Ser Ile Pro
Glu Ser Leu Pro
Glu Ser Pro Ile
Glu Ser Pro Leu
Glu Thr Pro Val
Glu Thr Val Pro
Glu Val Pro Thr
Glu Val Thr Pro
Gly Ile Gln Gln
Gly Leu Gln Gln
Gly Gln Ile Gln
Gly Gln Leu Gln
Gly Gln Gln Ile
Gly Gln Gln Leu
Ile Ala Asn Gln
Ile Ala Gln Asn
Ile Asp Pro Thr
Ile Asp Thr Pro
Ile Glu Pro Ser
Ile Glu Ser Pro
Ile Gly Gln Gln
Ile Asn Ala Gln
Ile Asn Gln Ala
Ile Pro Asp Thr
Ile Pro Glu Ser
Ile Pro Ser Glu
Ile Pro Thr Asp
Ile Gln Ala Asn
Ile Gln Gly Gln
Ile Gln Asn Ala
Ile Gln Gln Gly
Ile Ser Glu Pro
Ile Ser Pro Glu
Ile Thr Asp Pro
Ile Thr Pro Asp
Lys Asn Pro Ser
Lys Asn Ser Pro
Lys Pro Asn Ser
Lys Pro Ser Asn
Lys Ser Asn Pro
Lys Ser Pro Asn
Leu Ala Asn Gln
Leu Ala Gln Asn
Leu Asp Pro Thr
Leu Asp Thr Pro
Leu Glu Pro Ser
Leu Glu Ser Pro
Leu Gly Gln Gln
Leu Asn Ala Gln
Leu Asn Gln Ala
Leu Pro Asp Thr
Leu Pro Glu Ser
Leu Pro Ser Glu
Leu Pro Thr Asp
Leu Gln Ala Asn
Leu Gln Gly Gln
Leu Gln Asn Ala
Leu Gln Gln Gly
Leu Ser Glu Pro
Leu Ser Pro Glu
Leu Thr Asp Pro
Leu Thr Pro Asp
Asn Ala Ile Gln
Asn Ala Leu Gln
Asn Ala Gln Ile
Asn Ala Gln Leu
Asn Ile Ala Gln
Asn Ile Gln Ala
Asn Lys Pro Ser
Asn Lys Ser Pro
Asn Leu Ala Gln
Asn Leu Gln Ala
Asn Asn Val Val
Asn Pro Lys Ser
Asn Pro Ser Lys
Asn Gln Ala Ile
Asn Gln Ala Leu
Asn Gln Ile Ala
Asn Gln Leu Ala
Asn Ser Lys Pro
Asn Ser Pro Lys
Asn Val Asn Val
Asn Val Val Asn
Pro Asp Ile Thr
Pro Asp Leu Thr
Pro Asp Thr Ile
Pro Asp Thr Leu
Pro Glu Ile Ser
Pro Glu Leu Ser
Pro Glu Ser Ile
Pro Glu Ser Leu
Pro Glu Thr Val
Pro Glu Val Thr
Pro Ile Asp Thr
Pro Ile Glu Ser
Pro Ile Ser Glu
Pro Ile Thr Asp
Pro Lys Asn Ser
Pro Lys Ser Asn
Pro Leu Asp Thr
Pro Leu Glu Ser
Pro Leu Ser Glu
Pro Leu Thr Asp
Pro Asn Lys Ser
Pro Asn Ser Lys
Pro Ser Glu Ile
Pro Ser Glu Leu
Pro Ser Ile Glu
Pro Ser Lys Asn
Pro Ser Leu Glu
Pro Ser Asn Lys
Pro Thr Asp Ile
Pro Thr Asp Leu
Pro Thr Glu Val
Pro Thr Ile Asp
Pro Thr Leu Asp
Pro Thr Val Glu
Pro Val Glu Thr
Pro Val Thr Glu
Gln Ala Ile Asn
Gln Ala Leu Asn
Gln Ala Asn Ile
Gln Ala Asn Leu
Gln Ala Gln Val
Gln Ala Val Gln
Gln Gly Ile Gln
Gln Gly Leu Gln
Gln Gly Gln Ile
Gln Gly Gln Leu
Gln Ile Ala Asn
Gln Ile Gly Gln
Gln Ile Asn Ala
Gln Ile Gln Gly
Gln Leu Ala Asn
Gln Leu Gly Gln
Gln Leu Asn Ala
Gln Leu Gln Gly
Gln Asn Ala Ile
Gln Asn Ala Leu
Gln Asn Ile Ala
Gln Asn Leu Ala
Gln Gln Ala Val
Gln Gln Gly Ile
Gln Gln Gly Leu
Gln Gln Ile Gly
Gln Gln Leu Gly
Gln Gln Val Ala
Gln Val Ala Gln
Gln Val Gln Ala
Ser Glu Ile Pro
Ser Glu Leu Pro
Ser Glu Pro Ile
Ser Glu Pro Leu
Ser Ile Glu Pro
Ser Ile Pro Glu
Ser Lys Asn Pro
Ser Lys Pro Asn
Ser Leu Glu Pro
Ser Leu Pro Glu
Ser Asn Lys Pro
Ser Asn Pro Lys
Ser Pro Glu Ile
Ser Pro Glu Leu
Ser Pro Ile Glu
Ser Pro Lys Asn
Ser Pro Leu Glu
Ser Pro Asn Lys
Thr Asp Ile Pro
Thr Asp Leu Pro
Thr Asp Pro Ile
Thr Asp Pro Leu
Thr Glu Pro Val
Thr Glu Val Pro
Thr Ile Asp Pro
Thr Ile Pro Asp
Thr Leu Asp Pro
Thr Leu Pro Asp
Thr Pro Asp Ile
Thr Pro Asp Leu
Thr Pro Glu Val
Thr Pro Ile Asp
Thr Pro Leu Asp
Thr Pro Val Glu
Thr Val Glu Pro
Thr Val Pro Glu
Val Ala Gln Gln
Val Glu Pro Thr
Val Glu Thr Pro
Val Asn Asn Val
Val Asn Val Asn
Val Pro Glu Thr
Val Pro Thr Glu
Val Gln Ala Gln
Val Gln Gln Ala
Val Thr Glu Pro
Val Thr Pro Glu
Val Val Asn Asn
17,18-dehydro-clavulone I
Austalide J
N-(ethoxymethyl)-N-methyl-2-(3-methylbutyl)-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide
α-(2,3-Dimethylphenyl)-1-(trityl)-1H-imidazole-4-methanol
sodium 1,4-bis(1-methylheptyl) 2-sulphonatosuccinate
Docusate sodium
A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AA - Softeners, emollients C78276 - Agent Affecting Digestive System or Metabolism > C29697 - Laxative > C29699 - Stool Softener D013501 - Surface-Active Agents Anionic surfactant used as wetting/dispersing/emulsifying agent in food processing. Hog/poultry scald agent. It is used in cheeses, salad dressings, cocoa and dairy products. Docusate sodium is found in cocoa and cocoa products, milk and milk products, and herbs and spices.
Imidazolidine,2-(1,3-diphenyl-2-imidazolidinylidene)-1,3-diphenyl-
bis[(1S)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-yl]methanone
Del-22379
DEL-22379 is an ERK dimerization Inhibitor. DEL-22379 readily binds to ERK2 with a Kd estimated in the low micromolar range, though binding is detectable even at low nanomolar concentrations. ERK2 dimerization is progressively inhibited with an IC50 of ~0.5 μM.
VIBEGRON
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist