Exact Mass: 464.2358
Exact Mass Matches: 464.2358
Found 500 metabolites which its exact mass value is equals to given mass value 464.2358
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Testosterone glucuronide
Testosterone glucuronide is a natural human metabolite of testosterone. Testosterone is a steroid hormone from the androgen group. testosterone is primarily secreted in the testes of males and the ovaries of females although small amounts are secreted by the adrenal glands. It is the principal male sex hormone and an anabolic steroid. In both males and females, it plays key roles in health and well-being. There is a sex difference in the median values of testosterone glucuronide in the amniotic fluid specimens 15-19 wk gestation between female (median 160 pM, range 64-465 pM) and male (median 817 pM, range 68-3707 pM). This difference, when used in conjunction with amniotic fluid unconjugated testosterone values, increase the predictive accuracy of fetal sexing from 95.4 to 98.9\\\%. In human newborns and young infants, urinary testosterone sulfate is higher than glucuronide. The high sulfokinase activity in fetal and neonatal testes is more likely responsible for this phenomenon than an impaired glucuronizing capacity of the liver. Urinary excretion of testosterone glucuronide increases significantly during puberty. The level of testosterone glucuronide exceeds the level of unconjugated testosterone in human seminal plasma. Urinary testosterone glucuronide excretion is increased in women with virilizing adrenocortical tumors. Concentration of testosterone glucuronide in urine from women with breast tumor in urine samples is not different from patients with benign or malignant breast disease, either before or after the menopause. (PMID: 8327267, 3560942, 6246233, 871373, 133773, 947290) [HMDB] Testosterone glucuronide is a natural human metabolite of testosterone. Testosterone is a steroid hormone from the androgen group. Testosterone is primarily secreted in the testes of males and the ovaries of females although small amounts are secreted by the adrenal glands. It is the principal male sex hormone and an anabolic steroid. In both males and females, it plays key roles in health and well-being. There is a sex difference in the median values of testosterone glucuronide in the amniotic fluid specimens 15-19 wk gestation between female (median 160 pM, range 64-465 pM) and male (median 817 pM, range 68-3707 pM). This difference, when used in conjunction with amniotic fluid unconjugated testosterone values, increase the predictive accuracy of fetal sexing from 95.4 to 98.9\\\%. In human newborns and young infants, urinary testosterone sulfate is higher than glucuronide. The high sulfokinase activity in fetal and neonatal testes is more likely responsible for this phenomenon than an impaired glucuronizing capacity of the liver. Urinary excretion of testosterone glucuronide increases significantly during puberty. The level of testosterone glucuronide exceeds the level of unconjugated testosterone in human seminal plasma. Urinary testosterone glucuronide excretion is increased in women with virilizing adrenocortical tumors. Concentration of testosterone glucuronide in urine from women with breast tumor in urine samples is not different from patients with benign or malignant breast disease, either before or after the menopause. (PMID: 8327267, 3560942, 6246233, 871373, 133773, 947290).
Garcinone E
Garcinone E is a member of xanthones. Garcinone E is a natural product found in Garcinia xipshuanbannaensis, Pentadesma butyracea, and other organisms with data available. See also: Garcinia mangostana fruit rind (has part). Constituent of the fruit of Garcinia mangostana (mangosteen). Garcinone E is found in fruits and purple mangosteen. Garcinone E is found in fruits. Garcinone E is a constituent of the fruit of Garcinia mangostana (mangosteen).
Linalool 3,6-oxide primeveroside
Linalool 3,6-oxide primeveroside is found in tea. Linalool 3,6-oxide primeveroside is a constituent of Camellia sinensis var. sinensis (tea) Constituent of Camellia sinensis variety sinensis (tea). Linalool 3,6-oxide primeveroside is found in tea.
Linalool 3,7-oxide beta-primeveroside
Linalool 3,7-oxide beta-primeveroside is found in tea. Linalool 3,7-oxide beta-primeveroside is a constituent of Camellia sinensis var. sinensis (China tea).
Linalool oxide D 3-[apiosyl-(1->6)-glucoside]
Linalool oxide D 3-[apiosyl-(1->6)-glucoside] is found in tea. Linalool oxide D 3-[apiosyl-(1->6)-glucoside] is a constituent of the leaves of Camellia sinensis var. sinensis (China tea)
Erinacine G
Erinacine G is found in mushrooms. Erinacine G is a metabolite of Hericium erinaceum (lions mane
Dehydroisoandrosterone 3-glucuronide
Dehydroisoandrosterone 3-glucuronide is a natural human metabolite of Dehydroisoandrosterone generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Dehydroisoandrosterone 3-glucuronide is a natural human metabolite of Dehydroisoandrosterone generated in the liver by UDP glucuonyltransferase.
Dehydroepiandrosterone 3-glucuronide
Dehydroepiandrosterone 3-glucuronide is a natural human metabolite of Dehydroepiandrosterone generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Dehydroepiandrosterone 3-glucuronide is a natural human metabolite of Dehydroepiandrosterone generated in the liver by UDP glucuonyltransferase.
Hydroxyfluoroprednisolone butyrate
Hydroxyfluoroprednisolone butyrate (HFB) is an inert metabolite of difluprednate (PMID: 19668594, 19668594). Difluprednate (DFBA) is a corticosteroid and is chemically a butyrate ester of 6alpha,9alpha-difluoro prednisolone acetate (Wikipedia).
Obelin
Testosterone 17b-(b-D-glucuronide)
4,4-Dihydroxy-3-(3,3-dimethylallyl)-2,2-dimethylchromene(5,6:5,4)-2-methoxy-8-(propyl-2-one) deoxybenzoin
Garciniaxanthone E
CID 10457167 is a natural product found in Garcinia xanthochymus, Garcinia subelliptica, and Garcinia dulcis with data available.
Allanxanthone C
A member of the class of xanthones that is 3,6,8-trihydroxy-1H-xanthene-2,9-dione substituted by geminal prenyl groups at position 1 and a single prenyl group at position 7. It is isolated from the stem barks of Allanblackia monticola and exhibits antiplasmodial activity. It also shows weak cytotoxicity against human melanoma cells.
1alpha,8-diangeloyloxy-10,11-trihydroxy-3beta,4beta-epoxybisabol-7(14)-en-2-one
(2R)-bornane-2,9-diol 2-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
(E,E)-2,6-dimethyl-1-O-6)-beta-D-glucopyranosyl>-octa-2,7-dien-8-ol
4-hydroxy-1,8-cineole 4-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|Myresculoside
(4S)-p-menth-1-ene-7,8-diol 8-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
Isogarciniaxanthone E
1,3,5,6-tetrahydroxy-4,7,8-tri(3-methyl-2-butenyl)xanthone is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 3, 4, 6 and 8 and prenyl groups at positions 1, 2 and 5. Isolated from Garcinia xanthochymus, it exhibits enhancement of nerve growth factor-mediated neurite outgrowth in PC12D cells. It has a role as a metabolite and a nerve growth factor stimulator. It is a member of xanthones and a member of phenols. 1,3,5,6-Tetrahydroxy-4,7,8-tri(3-methyl-2-butenyl)xanthone is a natural product found in Garcinia xanthochymus and Garcinia subelliptica with data available. A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 3, 4, 6 and 8 and prenyl groups at positions 1, 2 and 5. Isolated from Garcinia xanthochymus, it exhibits enhancement of nerve growth factor-mediated neurite outgrowth in PC12D cells.
1-[5-Hydroxy-7-methoxy-2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran-6-yl]-2-(4-hydroxyphenyl)pentane-1,4-dione
(2E,4R)-4-hydroxy-3,7-dimethyl-2,6-octadienyl alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranoside|rhodioloside F
(Z)-1-(5-ethenyl-5-methyltetrahydrofuran-2-yl)-1-methylethyl O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranoside
(E)-2-(2,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-6-(3-methylbut-1-en-1-yl)-3-(3-methylbut-2-en-1-yl)-4H-chromen-4-one|artocarpin dimethylether|Artocarpin-dimethylaether
5,2,5-trimethoxy-8-gamma,gamma-dimethylallyl-6,6-dimethylpyrano(2,3:6,7)flavanone|Tri-Me ether-2(2, 4-Dihydroxyphenyl)-2, 3-dihydro-5-hydroxy-7, 7-dimethyl-10-(3-methyl-2-butenyl)benzo[1, 2-b:4, 5-b]dipyran-4(7H)-one
(1S, 2S, 4R, 5S, 6R, 7S, 8R, 9R, 10S)-2-angeloyl-oxy-4-isovalerate-6,9-dihydroxypseudoguian-11(13)-en-8,12-olide|(1S,2S,4R,5S,6R,7S,8R,9R,10S)-2-angeloxy-4-(3-methylbutanoyloxy)-6,9-dihydroxyguai-11(13)-en-8,12-olide
(4R)-p-menth-1-ene-7,8-diol 7-O-[beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranosyl] ester|distyloside B|NSC# 742191
3,4-dihydro-3(S),5,10-trihydroxy-2,2-dimethyl-6-[3,7-dmethylocta-2(E),6-dien-1-yl]-2H,12H-pyrano[2,3-a]xanthen-12-one|cochinensoxanthone
1alpha,2alpha-diacetoxy-5alpha-hydroxy-12alpha-methoxy-14alpha-methylcassa-13(15)-en-16,12-olide|caesalpin F
3beta-hydroxy-12-O-beta-D-glucopyranosyl-8,11,13-abietatrien-7-one
3beta-acetoxyl,2,14,22-trihydroxy,19-hydroxymethyl-9alpha,5beta,14beta-card-20(22)enolide
(6aR,9S,9aS)-3-(2-hydroxy-6-methylphenyl)-6a-methyl-9-[(2S)-2-methyloctanoyl]-9,9a-dihydro-6H-furo[2,3-h]isochromene-6,8(6aH)-dione|cohaerin H
(3S)-(+)-3,7-dimethylocta-1,6-dien-3,8-diol 8-(6-O-beta-D-apiofuranosyl-beta-D-glucopyranoside)|zanthoxyloside B
(4,8-di(3,3-dimethylallyl)-2-(1,1-dimethylallyl)-1,3,5,6-tetrahydroxyxanthone)
5,3,5-trimethoxy-8-gamma,gamma-dimethylallyl-6,6-dimethylpyrano(2,3:6,7)flavanone|Tri-Me ether-2(3, 5-Dihydroxyphenyl)-2, 3-dihydro-5-hydroxy-7, 7-dimethyl-10-(3-methyl-2-butenyl)benzo[1, 2-b:4, 5-b]dipyran-4(7H)-one
(2R,6S)-bornane-2,6-diol 2-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
1,3,6-trihydroxy-2,5-bis(3-methylbut-2-enyl)-6,6-dimethyl-4,5-dihydropyrano[2,3:7,8]xanthone|4,5-dihydro-1,3,6-trihydroxy-6,6-dimethyl-2,5-bis(3-methylbut-2-en-1-yl)pyrano[2,3:7,8]xanthene-9-one
1,3,5,6-tetrahydroxy-4-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-(3-methylbut-2-enyl)xanthone|virgataxanthone A
2,6-dimethylocta-2,7-diene-1,6-diol 6-O-[6-O-beta-D-apiofuranosyl]-beta-D-glucopyranoside
(1S,2S,4R)-2-hydroxy-1,8-cineole beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
7,10-Bis(2-Methylbutanoyl),9-angeloyl: p-Mentha-1,3,5-triene-3,7,8,9,10-penol|9-Angeloyloxy-7,10-di-(2-methylbutyryloxy)-8-hydroxy-thymol
(1S,2S,4R)-p-Menth-8-ene-1,2-diol 2-O-??-D-apiofuranosyl-(1鈥樏傗垎6)-??-D-glucopyranoside|(1S,2S,4R)-p-menthane-8-ene-1,2-diol 2-O-beta-apiofuranosyl-(1->6)-beta-D-glucopyranoside
C25H36O8_[(4R,5S,6R,6aS,7R,10aR,11bR)-5-Acetoxy-6-hydroxy-10a-methoxy-4,7,11b-trimethyl-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-4-yl]methyl acetate
C21H36O11_beta-D-Glucopyranoside, (1R,2S,4R,5R)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]
C25H36O8_Phenanthro[3,2-b]furan-9(1H)-one, 3,5-bis(acetyloxy)-2,3,4,4a,5,6,6a,7,10a,11,11a,11b-dodecahydro-6-hydroxy-10a-methoxy-4,4,7,11b-tetramethyl
[(4R,5S,6R,6aS,7R,10aR,11bR)-5-acetyloxy-6-hydroxy-10a-methoxy-4,7,11b-trimethyl-9-oxo-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-4-yl]methyl acetate
[(4R,5S,6R,6aS,7R,10aR,11bR)-5-acetyloxy-6-hydroxy-10a-methoxy-4,7,11b-trimethyl-9-oxo-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-4-yl]methyl acetate_major
Ala Asp Phe Ile
Ala Asp Phe Leu
Ala Asp Ile Phe
Ala Asp Leu Phe
Ala Glu Phe Val
Ala Glu Val Phe
Ala Phe Asp Ile
Ala Phe Asp Leu
Ala Phe Glu Val
Ala Phe Ile Asp
Ala Phe Leu Asp
Ala Phe Val Glu
Ala Ile Asp Phe
Ala Ile Phe Asp
Ala Leu Asp Phe
Ala Leu Phe Asp
Ala Val Glu Phe
Ala Val Phe Glu
Cys Lys Lys Ser
Cys Lys Ser Lys
Cys Ser Lys Lys
Asp Ala Phe Ile
Asp Ala Phe Leu
Asp Ala Ile Phe
Asp Ala Leu Phe
Asp Phe Ala Ile
Asp Phe Ala Leu
Asp Phe Ile Ala
Asp Phe Leu Ala
Asp Ile Ala Phe
Asp Ile Phe Ala
Asp Leu Ala Phe
Asp Leu Phe Ala
Glu Ala Phe Val
Glu Ala Val Phe
Glu Phe Ala Val
Glu Phe Gly Ile
Glu Phe Gly Leu
Glu Phe Ile Gly
Glu Phe Leu Gly
Glu Phe Val Ala
Glu Gly Phe Ile
Glu Gly Phe Leu
Glu Gly Ile Phe
Glu Gly Leu Phe
Glu Ile Phe Gly
Glu Ile Gly Phe
Glu Leu Phe Gly
Glu Leu Gly Phe
Glu Val Ala Phe
Glu Val Phe Ala
Phe Ala Asp Ile
Phe Ala Asp Leu
Phe Ala Glu Val
Phe Ala Ile Asp
Phe Ala Leu Asp
Phe Ala Val Glu
Phe Asp Ala Ile
Phe Asp Ala Leu
Phe Asp Ile Ala
Phe Asp Leu Ala
Phe Glu Ala Val
Phe Glu Gly Ile
Phe Glu Gly Leu
Phe Glu Ile Gly
Phe Glu Leu Gly
Phe Glu Val Ala
Phe Gly Glu Ile
Phe Gly Glu Leu
Phe Gly Ile Glu
Phe Gly Lys Asn
Phe Gly Leu Glu
Phe Gly Asn Lys
Phe Ile Ala Asp
Phe Ile Asp Ala
Phe Ile Glu Gly
Phe Ile Gly Glu
Phe Lys Gly Asn
Phe Lys Asn Gly
Phe Leu Ala Asp
Phe Leu Asp Ala
Phe Leu Glu Gly
Phe Leu Gly Glu
Phe Asn Gly Lys
Phe Asn Lys Gly
Phe Pro Thr Thr
Phe Thr Pro Thr
Phe Thr Thr Pro
Phe Val Ala Glu
Phe Val Glu Ala
Gly Glu Phe Ile
Gly Glu Phe Leu
Gly Glu Ile Phe
Gly Glu Leu Phe
Gly Phe Glu Ile
Gly Phe Glu Leu
Gly Phe Ile Glu
Gly Phe Lys Asn
Gly Phe Leu Glu
Gly Phe Asn Lys
Gly Ile Glu Phe
Gly Ile Phe Glu
Gly Lys Phe Asn
Gly Lys Asn Phe
Gly Leu Glu Phe
Gly Leu Phe Glu
Gly Asn Phe Lys
Gly Asn Lys Phe
Ile Ala Asp Phe
Ile Ala Phe Asp
Ile Asp Ala Phe
Ile Asp Phe Ala
Ile Glu Phe Gly
Ile Glu Gly Phe
Ile Phe Ala Asp
Ile Phe Asp Ala
Ile Phe Glu Gly
Ile Phe Gly Glu
Ile Gly Glu Phe
Ile Gly Phe Glu
Ile Met Thr Thr
Ile Thr Met Thr
Ile Thr Thr Met
Lys Cys Lys Ser
Lys Cys Ser Lys
Lys Phe Gly Asn
Lys Phe Asn Gly
Lys Gly Phe Asn
Lys Gly Asn Phe
Lys Lys Cys Ser
Lys Lys Ser Cys
Lys Asn Phe Gly
Lys Asn Gly Phe
Lys Ser Cys Lys
Lys Ser Lys Cys
Leu Ala Asp Phe
Leu Ala Phe Asp
Leu Asp Ala Phe
Leu Asp Phe Ala
Leu Glu Phe Gly
Leu Glu Gly Phe
Leu Phe Ala Asp
Leu Phe Asp Ala
Leu Phe Glu Gly
Leu Phe Gly Glu
Leu Gly Glu Phe
Leu Gly Phe Glu
Leu Met Thr Thr
Leu Thr Met Thr
Leu Thr Thr Met
Met Ile Thr Thr
Met Leu Thr Thr
Met Thr Ile Thr
Met Thr Leu Thr
Met Thr Thr Ile
Met Thr Thr Leu
Asn Phe Gly Lys
Asn Phe Lys Gly
Asn Gly Phe Lys
Asn Gly Lys Phe
Asn Lys Phe Gly
Asn Lys Gly Phe
Pro Phe Thr Thr
Pro Ser Val Tyr
Pro Ser Tyr Val
Pro Thr Phe Thr
Pro Thr Thr Phe
Pro Val Ser Tyr
Pro Val Tyr Ser
Pro Tyr Ser Val
Pro Tyr Val Ser
Ser Cys Lys Lys
Ser Lys Cys Lys
Ser Lys Lys Cys
Ser Pro Val Tyr
Ser Pro Tyr Val
Ser Val Pro Tyr
Ser Val Tyr Pro
Ser Tyr Pro Val
Ser Tyr Val Pro
Thr Phe Pro Thr
Thr Phe Thr Pro
Thr Ile Met Thr
Thr Ile Thr Met
Thr Leu Met Thr
Thr Leu Thr Met
Thr Met Ile Thr
Thr Met Leu Thr
Thr Met Thr Ile
Thr Met Thr Leu
Thr Pro Phe Thr
Thr Pro Thr Phe
Thr Thr Phe Pro
Thr Thr Ile Met
Thr Thr Leu Met
Thr Thr Met Ile
Thr Thr Met Leu
Thr Thr Pro Phe
Val Ala Glu Phe
Val Ala Phe Glu
Val Glu Ala Phe
Val Glu Phe Ala
Val Phe Ala Glu
Val Phe Glu Ala
Val Pro Ser Tyr
Val Pro Tyr Ser
Val Ser Pro Tyr
Val Ser Tyr Pro
Val Tyr Pro Ser
Val Tyr Ser Pro
Tyr Pro Ser Val
Tyr Pro Val Ser
Tyr Ser Pro Val
Tyr Ser Val Pro
Tyr Val Pro Ser
Tyr Val Ser Pro
Dehydroisoandrosterone 3-glucuronide
A steroid glucosiduronic acid having dehydroepiandrosterone as the steroid component.
Erinacine G
Linalool oxide D 3-[apiosyl-(1->6)-glucoside]
Linalool 3,6-oxide primeveroside
A disaccharide derivative obtained by formal condensation of the hydroxy group of linalool 3,6-oxide with the anomeric centre of beta-D-xylosyl-(1->6)-beta-D-glucose
Linalool 3,7-oxide b-primeveroside
glas#3
An ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester resulting from the formal esterification of the carboxy group of ascr#3 with the anomeric hydroxy group of beta-D-glucopyranose. It is a metabolite of the nematode Caenorhabditis elegans.
ST 19:2;O2;GlcA
2-BENZYL-N-(4-FLUOROBENZYL)-5-HYDROXY-6-OXO-1-(2-(PIPERIDIN-1-YL)ETHYL)-1,6-DIHYDROPYRIMIDINE-4-CARBOXAMIDE
1-O-{(2E,8R)-8-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]non-2-enoyl}-beta-D-glucopyranose
Linalool 3,7-oxide beta-primeveroside
Linalool 3,7-oxide beta-primeveroside is found in tea. Linalool 3,7-oxide beta-primeveroside is a constituent of Camellia sinensis var. sinensis (China tea). Constituent of Camellia sinensis variety sinensis (China tea). Linalool 3,7-oxide primeveroside is found in tea.
(5-Acetyloxy-6-hydroxy-10a-methoxy-4,7,11b-trimethyl-9-oxo-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-][1]benzouran-4-yl)methyl acetate
[(6S,8S,9R,10S,11S,13S,14S,17R)-9-fluoro-6,11-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate
N-[4-[(4-methyl-1-piperidinyl)methyl]phenyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide
N-[3-(1-azepanyl)propyl]-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
(17beta)-3-oxoandrost-4-en-17-yl beta-D-glucopyranosiduronic acid
N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(3-methylbut-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-3-pyridinecarboxamide
N-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(3-methylbut-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-3-pyridinecarboxamide
N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
2-[(3S,6aS,8S,10aS)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide
N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(3-methylbut-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-3-pyridinecarboxamide
N-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(3-methylbut-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-3-pyridinecarboxamide
N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(3-methylbut-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-3-pyridinecarboxamide
N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(3-methylbut-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-3-pyridinecarboxamide
N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(3-methylbut-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-3-pyridinecarboxamide
N-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(3-methylbut-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-3-pyridinecarboxamide
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]cyclobutanecarboxamide
N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
2-[(3R,6aR,8R,10aR)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide
2-[(3S,6aR,8S,10aR)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide
2-[(3R,6aR,8S,10aR)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide
(2S,3S,3aR,9bR)-N-cyclobutyl-1-[2-(dimethylamino)acetyl]-3-(hydroxymethyl)-6-oxo-7-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(2R,3R,3aS,9bS)-N-cyclobutyl-1-[2-(dimethylamino)acetyl]-3-(hydroxymethyl)-6-oxo-7-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
N-[[(2S,3R)-8-(1-cyclopentenyl)-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-pyridinecarboxamide
N-[[(2S,3R)-8-(1-cyclopentenyl)-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-pyridinecarboxamide
N-[[(2S,3S)-8-(1-cyclopentenyl)-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-pyridinecarboxamide
N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
2-[(3S,6aR,8R,10aR)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide
3-oxoandrost-4-en-17alpha-yl beta-D-glucopyranosiduronic acid
N-[[(2R,3S)-8-(1-cyclopentenyl)-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-pyridinecarboxamide
N-[[(2R,3R)-8-(1-cyclopentenyl)-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-pyridinecarboxamide
N-[[(2R,3S)-8-(1-cyclopentenyl)-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-pyridinecarboxamide
N-[[(2R,3R)-8-(1-cyclopentenyl)-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-pyridinecarboxamide
N-[[(2S,3S)-8-(1-cyclopentenyl)-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-pyridinecarboxamide
N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
2-[(3R,6aS,8R,10aS)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide
2-[(3R,6aS,8S,10aS)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide
2-[(3S,6aS,8R,10aS)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide
(1R)-1-(cyclopropylmethyl)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide
2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-yl 6-O-beta-D-xylopyranosyl-D-glucopyranoside
6-ethenyl-2,2,6-trimethyloxan-3-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
Testosterone glucuronide
A steroid glucosiduronic that is testosterone carrying a glucosiduronic acid residue at position 17. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Linalool 3,7-oxide beta-primeveroside
6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranoside derived from linalool 3,7-oxide.
BI-847325
BI-847325 is an ATP competitive dual inhibitor of MEK and aurora kinases (AK) with IC50 values of 4 and 15 nM for human MEK2 and AK-C, respectively. BI-847325 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
(6s,7r,10s,12s,16r)-1,17,18,19-tetrahydroxy-7,10-dimethyl-10-(4-methyl-3-oxopentyl)-3,5-dioxapentacyclo[13.3.1.0⁴,¹⁷.0⁶,¹⁶.0⁷,¹²]nonadec-14-en-11-one
1-acetyl-10-(acetyloxy)-3a,3b,7-trihydroxy-9a,11a-dimethyl-1h,2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl acetate
3-[(2s)-2-[(2s,3s,4r,6r,8r)-2-ethyl-4,8-dihydroxy-1,5-dioxaspiro[2.5]octan-6-yl]-4-methylpentanoyl]-2,6-dihydroxy-5-(2-methylpropyl)benzaldehyde
(2r,3s,4s,5r,6s)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[(1s,4r,6s)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl]oxy}oxane-3,4,5-triol
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-({1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl}oxy)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-{[(2e,4r)-4-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-({[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
3-(2-{4,8-dihydroxy-2-propyl-1,5-dioxaspiro[2.5]octan-6-yl}pentanoyl)-2,6-dihydroxy-5-(2-methylpropyl)benzaldehyde
(2r,3s,4s,5r,6r)-2-({[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-{[(2e,4s)-4-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}oxane-3,4,5-triol
(1r,4ar,5r,6s,8s,8ar)-6-hydroxy-5,6-dimethyl-8-[(2-methylbutanoyl)oxy]-5-[2-(5-oxo-2h-furan-3-yl)ethyl]-hexahydrospiro[naphthalene-1,2'-oxirane]-8a-carboxylic acid
(1s,2s,4r)-p-menth-8-ene-1,2-diol 2-o-β-d-apiofuranosyl-(1→6)-β-d-glucopyranoside
{"Ingredient_id": "HBIN003233","Ingredient_name": "(1s,2s,4r)-p-menth-8-ene-1,2-diol 2-o-\u03b2-d-apiofuranosyl-(1\u21926)-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C21H36O11","Ingredient_Smile": "CC(=C)C1CCC(C(C1)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O)(C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13740","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,6-bornanediol; (2r,6s)-form,2-o-[beta-d-apiofuranosyl-(1→6)-beta-d-glucopyranoside]
{"Ingredient_id": "HBIN004866","Ingredient_name": "2,6-bornanediol; (2r,6s)-form,2-o-[beta-d-apiofuranosyl-(1\u21926)-beta-d-glucopyranoside]","Alias": "NA","Ingredient_formula": "C21H36O11","Ingredient_Smile": "NA","Ingredient_weight": "464.5","OB_score": "NA","CAS_id": "217969-20-5","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8827","PubChem_id": "NA","DrugBank_id": "NA"}
2,9-bornanediol; 2-o-[beta-d-apiofuranosyl-(1→6)-beta-d-glucopyranoside]
{"Ingredient_id": "HBIN005084","Ingredient_name": "2,9-bornanediol; 2-o-[beta-d-apiofuranosyl-(1\u21926)-beta-d-glucopyranoside]","Alias": "NA","Ingredient_formula": "C21H36O11","Ingredient_Smile": "NA","Ingredient_weight": "464.5","OB_score": "NA","CAS_id": "217969-26-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8799","PubChem_id": "NA","DrugBank_id": "NA"}
(4s)-p-menth-1-ene-7,8-diol 8-o-β-d-glucopyra-noside
{"Ingredient_id": "HBIN010913","Ingredient_name": "(4s)-p-menth-1-ene-7,8-diol 8-o-\u03b2-d-glucopyra-noside","Alias": "NA","Ingredient_formula": "C21H36O11","Ingredient_Smile": "CC(C)(C1CCC(=CC1)CO)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13756","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}