Exact Mass: 448.19916020000005
Exact Mass Matches: 448.19916020000005
Found 500 metabolites which its exact mass value is equals to given mass value 448.19916020000005
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
17-beta-Estradiol glucuronide
17-beta-Estradiol glucuronide is a natural human metabolite of 17beta-Estradiol 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. [HMDB] 17-beta-estradiol glucuronide is a natural human metabolite of 17beta-Estradiol 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. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Estradiol-17alpha 3-D-glucuronoside
Estradiol-17alpha 3-D-glucuronoside is a glycosylated derivative of estradiol. It is substrate for steroid N-acetylglucosaminyltransferas (EC 2.4.1.39). The reaction proceeds as follows: UDP-N-acetyl-D-glucosamine + estradiol-17alpha 3-D-glucuronoside =. UDP + 17alpha-(N-acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside. Estradiol-17alpha 3-D-glucuronoside is a glycosylated derivative of estradiol. It is substrate for steroid N-acetylglucosaminyltransferas (EC 2.4.1.39). The reaction proceeds as follows: UDP-N-acetyl-D-glucosamine + estradiol-17alpha 3-D-glucuronoside =
Jodrellin A
17-beta-Estradiol-3-glucuronide
17beta-Estradiol 3-glucuronide belongs to the class of organic compounds known as steroid glucuronide conjugates. These are sterol lipids containing a glucuronide moiety linked to the steroid skeleton. 17beta-Estradiol 3-glucuronide is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Estradiol glucuronide is believed to play an important role in the mechanism of 17beta-estradiol(E2)-mediated tumour formation. Conjugation with glucuronic acid lowers tissue levels by facilitating excretion. Heterotropic activation by daidzein appears to be specific for the glucuronidation of E2 because daidzein did not affect the glucuronidation of the 2- and 4-hydroxy metabolites of E2 (PMID: 16598814). Estradiol glucuronide is believed to play important roles in the mechanism of 17beta-estradiol(E2)-mediated tumor formation. Conjugation with glucuronic acid lowers tissue levels by facilitating excretion.The heterotropic activation by daidzein appears to be specific for the glucuronidation of E2 because daidzein did not affect the glucuronidation of the 2- and 4-hydroxy metabolites of E2. (PMID: 16598814) [HMDB] D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Melleolide C
Melleolide C is found in mushrooms. Melleolide C is produced by Armillaria mellea (honey mushroom). Production by Armillaria mellea (honey mushroom). Melleolide C is found in mushrooms.
Cubebinin
Cubebinin is found in herbs and spices. Cubebinin is a constituent of Piper cubeba (cubeb pepper). Constituent of Piper cubeba (cubeb pepper). Cubebinin is found in herbs and spices.
(1S,3S,4S,5R,6x,8x)-1,5-Diacetoxy-8-angeloyloxy-3,4-epoxy-7(14),10-bisaboladien-2-one
(1S,3S,4S,5R,6x,8x)-1,5-Diacetoxy-8-angeloyloxy-3,4-epoxy-7(14),10-bisaboladien-2-one is found in tea. (1S,3S,4S,5R,6x,8x)-1,5-Diacetoxy-8-angeloyloxy-3,4-epoxy-7(14),10-bisaboladien-2-one is a constituent of Tussilago farfara (coltsfoot) Constituent of Tussilago farfara (coltsfoot). (1S,3S,4S,5R,6x,8x)-1,5-Diacetoxy-8-angeloyloxy-3,4-epoxy-7(14),10-bisaboladien-2-one is found in tea.
17-alpha-Estradiol-3-glucuronide
17-alpha-estradiol-3-glucuronide is a natural human metabolite of 17alpha-estradiol 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. 17-alpha-estradiol-3-glucuronide is a natural human metabolite of 17alpha-estradiol generated in the liver by UDP glucuonyltransferase.
Estradiol-17beta-glucuronide
Phorbol 12,13-diacetate
Tarazepide
C28H24N4O2 (448.18991639999996)
Shikokianin
CID 101157456 is a natural product found in Isodon henryi, Isodon parvifolius, and Isodon enanderianus with data available.
Rabdosin B
Rabdosin B is a natural product found in Isodon japonicus, Isodon longitubus, and other organisms with data available.
Asatone
Asatone is an active component isolated from Radix et Rhizoma Asari, with anti-inflammatory effect via activation of NF-κB and donwn regulation of p-MAPK (ERK, JNK and p38) pathways[1]. Asatone is an active component isolated from Radix et Rhizoma Asari, with anti-inflammatory effect via activation of NF-κB and donwn regulation of p-MAPK (ERK, JNK and p38) pathways[1].
Lophanthoidin B
Estradiol glucuronide
(1S,4S,5S,6R,7S,8S,9R,10S)-1,4-dihydroxy-6-methacryloyloxy-8-tigloyloxyeudesman-9,12-olide|wedelolide B
michaolide C
A cembrane diterpenoid with cytotoxic activity isolated from the soft coral Lobophytum michaelae.
(+)-Lyoniresinol-7,4-dimethylether|(-)-Lyoniresinoldimethylether|Hexa-Me ether-(7R,8S,8S)-3,3,4,4,5,5,9,9-Octahydroxy-2,7-cyclolignan|Hexa-Me ether-(7RS,8SR,8SR)-3,3,4,4,5,5,9,9-Octahydroxy-2,7-cyclolignan|Lyoniresinoldimethylaether
16,17-Didehydro-Secoexsertifolin A|secoexsertifolin B
8-O-isobutyryl-dimerostemmolide-1-O-(5-hydroxyangelate)|8-O-isobutyryl-dimerostemmolide-1-O-<5-hydroxyangelate>
2alpha,10beta-diacetoxy-5alpha,9alpha,20alpha-trihydroxy-3alpha,11alpha;4alpha,12alpha;14alpha,20-tricyclotaxan-13-one|canataxpropellane
8-O-isovaleryl-dimerostemmolide-1-O-(3-hydroxymethacrylate)
19-hydroxy-1alpha,6-diacetoxy-6,7-seco-ent-kaur-16-en-15-one-7,20-olide|isodojaponin D
durumolide I|rel-(1R,3R,4S,9S,13R,14R,7E,11E)-13,18-diacetoxy-9-hydroxy-3,4-epoxycembra-7,11,15(17)-trien-16,14-olide
3,4-Methylene,3,5,5,9,9-penta-Me ether-(8R,8R)-3,3,4,4,5,5,9,9-Octahydroxylignan|Nirphyllin
Isoasatone A
michaolide A
A cembrane diterpenoid with cytotoxic activity isolated from the soft coral Lobophytum michaelae.
1,14-O,O-diacetyl oridonin|Isodonol-Diacetate|oridonin diacetate|Oridonin-1,14-diacetat
(6beta,7alpha,14R,15beta)-6,7,7,14,15-pentahydroxy-ent-kaur-16-en-20-oic acid 6,15-dicetate 20,7-lactone|rabdonervosin E
(12R)-6alpha,19-diacetoxy-1beta,12:4alpha,18-diepoxy-neo-clerod-13-en-15,16-olide|ajugaciliatin H
(1alpha,11beta,15beta)-1,11-diacetyloxy-6-oxo-15-hydroxy-6,7-seco-ent-kaur-16-en-7,20-olide|isorubesin C
(1alpha,11beta,15beta)-1,15-diacetyloxy-6-oxo-11-hydroxy-6,7-seco-ent-kaur-16-en-7,20-olide|isorubesin D
3beta-norpinan-2-one 3-O-beta-D-apiofuranosyl-(1?6)-beta-D-glucopyranoside
(1R*,4aS*,5S*,6R*)-6-acetoxy-1-((2E)-4-acetoxy-3-methylbut-2-enyl)-5-(1-methylene-5-oxohexyl)-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-3-one|(1R*,4aS*,5S*,6R*)-6-acetoxy-1-<(2E)-4-acetoxy-3-methylbut-2-enyl>-5-(1-methylene-5-oxohexyl)-4,4a,5,6-tetrahydro-1H,3H-pyrano<3,4-c>pyran-3-one
6-hydroxy-1alpha,19-diacetoxy-6,7-seco-ent-kaur-16-en-15-one-7,20-olide|isodojaponin C
michaolide B
A cembrane diterpenoid with cytotoxic activity isolated from the soft coral Lobophytum michaelae.
(2beta,3beta,5beta,11alpha,14beta)-2,3,5,11,14-Pentahydroxy-12-oxobufa-20,22-dienolide
3beta,8alpha-diacetoxy-6beta-angeloyloxyeremophil-7(11)-en-12,8beta-olide
(1S*,2S*,5Z,7S*,8S*,9S*,10S*,11R*,12R*,13Z,17R*)-2,12-diacetoxy-8,17-epox-9-hydroxybriara-5,13-dien-18-one
8-O-(2-methylbutyryl)-dimerostemmolide-1-O-(3-hydroxymethacrylate)
Ala Asp Phe Pro
Ala Asp Ile Met
C18H32N4O7S (448.19916020000005)
Ala Asp Leu Met
C18H32N4O7S (448.19916020000005)
Ala Asp Met Ile
C18H32N4O7S (448.19916020000005)
Ala Asp Met Leu
C18H32N4O7S (448.19916020000005)
Ala Asp Pro Phe
Ala Glu Met Val
C18H32N4O7S (448.19916020000005)
Ala Glu Val Met
C18H32N4O7S (448.19916020000005)
Ala Phe Asp Pro
Ala Phe Pro Asp
Ala Ile Asp Met
C18H32N4O7S (448.19916020000005)
Ala Ile Met Asp
C18H32N4O7S (448.19916020000005)
Ala Leu Asp Met
C18H32N4O7S (448.19916020000005)
Ala Leu Met Asp
C18H32N4O7S (448.19916020000005)
Ala Met Asp Ile
C18H32N4O7S (448.19916020000005)
Ala Met Asp Leu
C18H32N4O7S (448.19916020000005)
Ala Met Glu Val
C18H32N4O7S (448.19916020000005)
Ala Met Ile Asp
C18H32N4O7S (448.19916020000005)
Ala Met Leu Asp
C18H32N4O7S (448.19916020000005)
Ala Met Val Glu
C18H32N4O7S (448.19916020000005)
Ala Pro Asp Phe
Ala Pro Phe Asp
Ala Val Glu Met
C18H32N4O7S (448.19916020000005)
Ala Val Met Glu
C18H32N4O7S (448.19916020000005)
Cys Asp Ile Val
C18H32N4O7S (448.19916020000005)
Cys Asp Leu Val
C18H32N4O7S (448.19916020000005)
Cys Asp Val Ile
C18H32N4O7S (448.19916020000005)
Cys Asp Val Leu
C18H32N4O7S (448.19916020000005)
Cys Glu Val Val
C18H32N4O7S (448.19916020000005)
Cys Ile Asp Val
C18H32N4O7S (448.19916020000005)
Cys Ile Val Asp
C18H32N4O7S (448.19916020000005)
Cys Leu Asp Val
C18H32N4O7S (448.19916020000005)
Cys Leu Val Asp
C18H32N4O7S (448.19916020000005)
Cys Val Asp Ile
C18H32N4O7S (448.19916020000005)
Cys Val Asp Leu
C18H32N4O7S (448.19916020000005)
Cys Val Glu Val
C18H32N4O7S (448.19916020000005)
Cys Val Ile Asp
C18H32N4O7S (448.19916020000005)
Cys Val Leu Asp
C18H32N4O7S (448.19916020000005)
Cys Val Val Glu
C18H32N4O7S (448.19916020000005)
Asp Ala Phe Pro
Asp Ala Ile Met
C18H32N4O7S (448.19916020000005)
Asp Ala Leu Met
C18H32N4O7S (448.19916020000005)
Asp Ala Met Ile
C18H32N4O7S (448.19916020000005)
Asp Ala Met Leu
C18H32N4O7S (448.19916020000005)
Asp Ala Pro Phe
Asp Cys Ile Val
C18H32N4O7S (448.19916020000005)
Asp Cys Leu Val
C18H32N4O7S (448.19916020000005)
Asp Cys Val Ile
C18H32N4O7S (448.19916020000005)
Asp Cys Val Leu
C18H32N4O7S (448.19916020000005)
Asp Phe Ala Pro
Asp Phe Pro Ala
Asp Ile Ala Met
C18H32N4O7S (448.19916020000005)
Asp Ile Cys Val
C18H32N4O7S (448.19916020000005)
Asp Ile Met Ala
C18H32N4O7S (448.19916020000005)
Asp Ile Val Cys
C18H32N4O7S (448.19916020000005)
Asp Leu Ala Met
C18H32N4O7S (448.19916020000005)
Asp Leu Cys Val
C18H32N4O7S (448.19916020000005)
Asp Leu Met Ala
C18H32N4O7S (448.19916020000005)
Asp Leu Val Cys
C18H32N4O7S (448.19916020000005)
Asp Met Ala Ile
C18H32N4O7S (448.19916020000005)
Asp Met Ala Leu
C18H32N4O7S (448.19916020000005)
Asp Met Ile Ala
C18H32N4O7S (448.19916020000005)
Asp Met Leu Ala
C18H32N4O7S (448.19916020000005)
Asp Pro Ala Phe
Asp Pro Phe Ala
Asp Val Cys Ile
C18H32N4O7S (448.19916020000005)
Asp Val Cys Leu
C18H32N4O7S (448.19916020000005)
Asp Val Ile Cys
C18H32N4O7S (448.19916020000005)
Asp Val Leu Cys
C18H32N4O7S (448.19916020000005)
Glu Ala Met Val
C18H32N4O7S (448.19916020000005)
Glu Ala Val Met
C18H32N4O7S (448.19916020000005)
Glu Cys Val Val
C18H32N4O7S (448.19916020000005)
Glu Phe Gly Pro
Glu Phe Pro Gly
Glu Gly Phe Pro
Glu Gly Ile Met
C18H32N4O7S (448.19916020000005)
Glu Gly Leu Met
C18H32N4O7S (448.19916020000005)
Glu Gly Met Ile
C18H32N4O7S (448.19916020000005)
Glu Gly Met Leu
C18H32N4O7S (448.19916020000005)
Glu Gly Pro Phe
Glu Ile Gly Met
C18H32N4O7S (448.19916020000005)
Glu Ile Met Gly
C18H32N4O7S (448.19916020000005)
Glu Leu Gly Met
C18H32N4O7S (448.19916020000005)
Glu Leu Met Gly
C18H32N4O7S (448.19916020000005)
Glu Met Ala Val
C18H32N4O7S (448.19916020000005)
Glu Met Gly Ile
C18H32N4O7S (448.19916020000005)
Glu Met Gly Leu
C18H32N4O7S (448.19916020000005)
Glu Met Ile Gly
C18H32N4O7S (448.19916020000005)
Glu Met Leu Gly
C18H32N4O7S (448.19916020000005)
Glu Met Val Ala
C18H32N4O7S (448.19916020000005)
Glu Pro Phe Gly
Glu Pro Gly Phe
Glu Val Ala Met
C18H32N4O7S (448.19916020000005)
Glu Val Cys Val
C18H32N4O7S (448.19916020000005)
Glu Val Met Ala
C18H32N4O7S (448.19916020000005)
Glu Val Val Cys
C18H32N4O7S (448.19916020000005)
Phe Ala Asp Pro
Phe Ala Pro Asp
Phe Asp Ala Pro
Phe Asp Pro Ala
Phe Glu Gly Pro
Phe Glu Pro Gly
Phe Gly Glu Pro
Phe Gly Pro Glu
Phe Pro Ala Asp
Phe Pro Asp Ala
Phe Pro Glu Gly
Phe Pro Gly Glu
Gly Glu Phe Pro
Gly Glu Ile Met
C18H32N4O7S (448.19916020000005)
Gly Glu Leu Met
C18H32N4O7S (448.19916020000005)
Gly Glu Met Ile
C18H32N4O7S (448.19916020000005)
Gly Glu Met Leu
C18H32N4O7S (448.19916020000005)
Gly Glu Pro Phe
Gly Phe Glu Pro
Gly Phe Pro Glu
Gly Ile Glu Met
C18H32N4O7S (448.19916020000005)
Gly Ile Met Glu
C18H32N4O7S (448.19916020000005)
Gly Leu Glu Met
C18H32N4O7S (448.19916020000005)
Gly Leu Met Glu
C18H32N4O7S (448.19916020000005)
Gly Met Glu Ile
C18H32N4O7S (448.19916020000005)
Gly Met Glu Leu
C18H32N4O7S (448.19916020000005)
Gly Met Ile Glu
C18H32N4O7S (448.19916020000005)
Gly Met Leu Glu
C18H32N4O7S (448.19916020000005)
Gly Pro Glu Phe
Gly Pro Phe Glu
Ile Ala Asp Met
C18H32N4O7S (448.19916020000005)
Ile Ala Met Asp
C18H32N4O7S (448.19916020000005)
Ile Cys Asp Val
C18H32N4O7S (448.19916020000005)
Ile Cys Val Asp
C18H32N4O7S (448.19916020000005)
Ile Asp Ala Met
C18H32N4O7S (448.19916020000005)
Ile Asp Cys Val
C18H32N4O7S (448.19916020000005)
Ile Asp Met Ala
C18H32N4O7S (448.19916020000005)
Ile Asp Val Cys
C18H32N4O7S (448.19916020000005)
Ile Glu Gly Met
C18H32N4O7S (448.19916020000005)
Ile Glu Met Gly
C18H32N4O7S (448.19916020000005)
Ile Gly Glu Met
C18H32N4O7S (448.19916020000005)
Ile Gly Met Glu
C18H32N4O7S (448.19916020000005)
Ile Met Ala Asp
C18H32N4O7S (448.19916020000005)
Ile Met Asp Ala
C18H32N4O7S (448.19916020000005)
Ile Met Glu Gly
C18H32N4O7S (448.19916020000005)
Ile Met Gly Glu
C18H32N4O7S (448.19916020000005)
Ile Val Cys Asp
C18H32N4O7S (448.19916020000005)
Ile Val Asp Cys
C18H32N4O7S (448.19916020000005)
Leu Ala Asp Met
C18H32N4O7S (448.19916020000005)
Leu Ala Met Asp
C18H32N4O7S (448.19916020000005)
Leu Cys Asp Val
C18H32N4O7S (448.19916020000005)
Leu Cys Val Asp
C18H32N4O7S (448.19916020000005)
Leu Asp Ala Met
C18H32N4O7S (448.19916020000005)
Leu Asp Cys Val
C18H32N4O7S (448.19916020000005)
Leu Asp Met Ala
C18H32N4O7S (448.19916020000005)
Leu Asp Val Cys
C18H32N4O7S (448.19916020000005)
Leu Glu Gly Met
C18H32N4O7S (448.19916020000005)
Leu Glu Met Gly
C18H32N4O7S (448.19916020000005)
Leu Gly Glu Met
C18H32N4O7S (448.19916020000005)
Leu Gly Met Glu
C18H32N4O7S (448.19916020000005)
Leu Met Ala Asp
C18H32N4O7S (448.19916020000005)
Leu Met Asp Ala
C18H32N4O7S (448.19916020000005)
Leu Met Glu Gly
C18H32N4O7S (448.19916020000005)
Leu Met Gly Glu
C18H32N4O7S (448.19916020000005)
Leu Val Cys Asp
C18H32N4O7S (448.19916020000005)
Leu Val Asp Cys
C18H32N4O7S (448.19916020000005)
Met Ala Asp Ile
C18H32N4O7S (448.19916020000005)
Met Ala Asp Leu
C18H32N4O7S (448.19916020000005)
Met Ala Glu Val
C18H32N4O7S (448.19916020000005)
Met Ala Ile Asp
C18H32N4O7S (448.19916020000005)
Met Ala Leu Asp
C18H32N4O7S (448.19916020000005)
Met Ala Val Glu
C18H32N4O7S (448.19916020000005)
Met Asp Ala Ile
C18H32N4O7S (448.19916020000005)
Met Asp Ala Leu
C18H32N4O7S (448.19916020000005)
Met Asp Ile Ala
C18H32N4O7S (448.19916020000005)
Met Asp Leu Ala
C18H32N4O7S (448.19916020000005)
Met Glu Ala Val
C18H32N4O7S (448.19916020000005)
Met Glu Gly Ile
C18H32N4O7S (448.19916020000005)
Met Glu Gly Leu
C18H32N4O7S (448.19916020000005)
Met Glu Ile Gly
C18H32N4O7S (448.19916020000005)
Met Glu Leu Gly
C18H32N4O7S (448.19916020000005)
Met Glu Val Ala
C18H32N4O7S (448.19916020000005)
Met Gly Glu Ile
C18H32N4O7S (448.19916020000005)
Met Gly Glu Leu
C18H32N4O7S (448.19916020000005)
Met Gly Ile Glu
C18H32N4O7S (448.19916020000005)
Met Gly Leu Glu
C18H32N4O7S (448.19916020000005)
Met Ile Ala Asp
C18H32N4O7S (448.19916020000005)
Met Ile Asp Ala
C18H32N4O7S (448.19916020000005)
Met Ile Glu Gly
C18H32N4O7S (448.19916020000005)
Met Ile Gly Glu
C18H32N4O7S (448.19916020000005)
Met Leu Ala Asp
C18H32N4O7S (448.19916020000005)
Met Leu Asp Ala
C18H32N4O7S (448.19916020000005)
Met Leu Glu Gly
C18H32N4O7S (448.19916020000005)
Met Leu Gly Glu
C18H32N4O7S (448.19916020000005)
Met Pro Thr Thr
C18H32N4O7S (448.19916020000005)
Met Thr Pro Thr
C18H32N4O7S (448.19916020000005)
Met Thr Thr Pro
C18H32N4O7S (448.19916020000005)
Met Val Ala Glu
C18H32N4O7S (448.19916020000005)
Met Val Glu Ala
C18H32N4O7S (448.19916020000005)
Asn Asn Thr Thr
Asn Gln Ser Thr
Asn Gln Thr Ser
Asn Ser Gln Thr
Asn Ser Thr Gln
Asn Thr Asn Thr
Asn Thr Gln Ser
Asn Thr Ser Gln
Asn Thr Thr Asn
Pro Ala Asp Phe
Pro Ala Phe Asp
Pro Asp Ala Phe
Pro Asp Phe Ala
Pro Glu Phe Gly
Pro Glu Gly Phe
Pro Phe Ala Asp
Pro Phe Asp Ala
Pro Phe Glu Gly
Pro Phe Gly Glu
Pro Gly Glu Phe
Pro Gly Phe Glu
Pro Met Thr Thr
C18H32N4O7S (448.19916020000005)
Pro Thr Met Thr
C18H32N4O7S (448.19916020000005)
Pro Thr Thr Met
C18H32N4O7S (448.19916020000005)
Gln Asn Ser Thr
Gln Asn Thr Ser
Gln Gln Ser Ser
Gln Ser Asn Thr
Gln Ser Gln Ser
Gln Ser Ser Gln
Gln Ser Thr Asn
Gln Thr Asn Ser
Gln Thr Ser Asn
Ser Asn Gln Thr
Ser Asn Thr Gln
Ser Gln Asn Thr
Ser Gln Gln Ser
Ser Gln Ser Gln
Ser Gln Thr Asn
Ser Ser Gln Gln
Ser Thr Asn Gln
Ser Thr Gln Asn
Thr Met Pro Thr
C18H32N4O7S (448.19916020000005)
Thr Met Thr Pro
C18H32N4O7S (448.19916020000005)
Thr Asn Asn Thr
Thr Asn Gln Ser
Thr Asn Ser Gln
Thr Asn Thr Asn
Thr Pro Met Thr
C18H32N4O7S (448.19916020000005)
Thr Pro Thr Met
C18H32N4O7S (448.19916020000005)
Thr Gln Asn Ser
Thr Gln Ser Asn
Thr Ser Asn Gln
Thr Ser Gln Asn
Thr Thr Met Pro
C18H32N4O7S (448.19916020000005)
Thr Thr Asn Asn
Thr Thr Pro Met
C18H32N4O7S (448.19916020000005)
Val Ala Glu Met
C18H32N4O7S (448.19916020000005)
Val Ala Met Glu
C18H32N4O7S (448.19916020000005)
Val Cys Asp Ile
C18H32N4O7S (448.19916020000005)
Val Cys Asp Leu
C18H32N4O7S (448.19916020000005)
Val Cys Glu Val
C18H32N4O7S (448.19916020000005)
Val Cys Ile Asp
C18H32N4O7S (448.19916020000005)
Val Cys Leu Asp
C18H32N4O7S (448.19916020000005)
Val Cys Val Glu
C18H32N4O7S (448.19916020000005)
Val Asp Cys Ile
C18H32N4O7S (448.19916020000005)
Val Asp Cys Leu
C18H32N4O7S (448.19916020000005)
Val Asp Ile Cys
C18H32N4O7S (448.19916020000005)
Val Asp Leu Cys
C18H32N4O7S (448.19916020000005)
Val Glu Ala Met
C18H32N4O7S (448.19916020000005)
Val Glu Cys Val
C18H32N4O7S (448.19916020000005)
Val Glu Met Ala
C18H32N4O7S (448.19916020000005)
Val Glu Val Cys
C18H32N4O7S (448.19916020000005)
Val Ile Cys Asp
C18H32N4O7S (448.19916020000005)
Val Ile Asp Cys
C18H32N4O7S (448.19916020000005)
Val Leu Cys Asp
C18H32N4O7S (448.19916020000005)
Val Leu Asp Cys
C18H32N4O7S (448.19916020000005)
Val Met Ala Glu
C18H32N4O7S (448.19916020000005)
Val Met Glu Ala
C18H32N4O7S (448.19916020000005)
Val Val Cys Glu
C18H32N4O7S (448.19916020000005)
Val Val Glu Cys
C18H32N4O7S (448.19916020000005)
(1S,3S,4S,5R,6x,8x)-1,5-Diacetoxy-8-angeloyloxy-3,4-epoxy-7(14),10-bisaboladien-2-one
Melleolide C
22-dimethylarsinoyl-(5Z,8Z, 11Z,14Z,17Z,20Z)-docosahexaenoic acid
ST 18:3;O2;GlcA
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Glucuronosylestradiol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Quinoline,8,8-[oxybis(2,1-ethanediyloxy-2,1-ethanediyloxy)]bis-
DEBRISOQUIN SULFATE
C20H28N6O4S (448.18926480000005)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
POLY(STYRENE-CO-MALEIC ACID), PARTIAL ISOBUTYL ESTER
1H-Benzimidazole-1-acetamide,N-cyclopentyl-2-[[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]thio]-(9CI)
Tarazepide
C28H24N4O2 (448.18991639999996)
C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist
n-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1h-1,4-benzodiazepin-3-yl)-5,6-dihydro-4h-pyrrolo[3,2,1-ij]quinoline-2-carboxamide
C28H24N4O2 (448.18991639999996)
6-[(16,17-Dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl)oxy]-3,4-dihydroxyoxane-2-carboxylic acid
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(8R,9S,13S,14S,17R)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
Ajugaciliatin H
A diterpene lactone isolated from the whole plants of Ajuga ciliata.
[(1S,2S,5S,8S,9R,10S,11R,12R,15S)-15-acetyloxy-9,10-dihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate
(2S,3S,3aR,9bR)-7-(3-fluorophenyl)-3-(hydroxymethyl)-1-methyl-6-oxo-N-(2-pyridinylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C25H25FN4O3 (448.1910591999999)
(1S,9R,10R,11R)-5-(4-fluorophenyl)-10-(hydroxymethyl)-6-oxo-N-(2-pyridin-4-ylethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C25H25FN4O3 (448.1910591999999)
(1R,9S,10S,11S)-5-(4-fluorophenyl)-10-(hydroxymethyl)-6-oxo-N-(2-pyridin-4-ylethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C25H25FN4O3 (448.1910591999999)
3-[(3aR,4R,9bR)-4-(hydroxymethyl)-1-(2-thiazolylmethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]-N,N-dimethylbenzamide
3-[(3aS,4S,9bS)-4-(hydroxymethyl)-1-(2-thiazolylmethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]-N,N-dimethylbenzamide
(2R,3R,3aS,9bS)-7-(3-fluorophenyl)-3-(hydroxymethyl)-1-methyl-6-oxo-N-(2-pyridinylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C25H25FN4O3 (448.1910591999999)
3-[(3aR,4S,9bR)-4-(hydroxymethyl)-1-(2-thiazolylmethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]-N,N-dimethylbenzamide
[(1R,2S,5S,8S,9R,10S,11S,12R,13S)-13-acetyloxy-9,10-dihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate
3-hydroxyestra-1,3,5(10)-trien-17alpha-yl beta-D-glucopyranosiduronic acid
(3R)-3-{[(3R)-3-{[(3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoyl]oxy}butanoyl]oxy}butanoic acid
17beta-Estradiol 3-(beta-D-glucuronide)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
[(2S,4R,5S,6R,8R,10R,11R)-5-[(3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-10-acetyloxy-4,5-dimethylspiro[9-oxatricyclo[6.2.2.01,6]dodecane-11,2-oxirane]-2-yl] acetate
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(17R)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
Estradiol-17beta-glucuronide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
17beta-Estradiol glucuronide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
22-dimethylarsinoyl-(5Z,8Z, 11Z,14Z,17Z,20Z)-docosahexaenoic acid
17beta-estradiol 3-glucosiduronic acid
A steroid glucosiduronic acid that consists of 17beta-estradiol having a beta-glucuronyl residue attached at position 3 via a glycosidic linkage.
BAY-293
BAY-293, a valuable chemical probe, blocks RAS activation via disruption of the KRAS-SOS1 interaction with an IC50 of 21 nM. BAY-293 is a potent inhibitor of Son of Sevenless 1 (SOS1). SOS1 is the guanine nucleotide exchange factor (GEF) and activator of RAS[1].
(1ar,2's,3as,4s,5s,5's,6s,7r,7as,7bs)-6-(acetyloxy)-5'-(furan-3-yl)-2'-hydroxy-5,7a,7b-trimethyl-hexahydro-1ah-spiro[naphtho[1,2-b]oxirene-4,3'-oxolan]-7-yl acetate
5-(acetyloxy)-3-{1-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-2-oxo-3,7-dioxabicyclo[4.1.0]heptan-4-yl}-2,5-dihydrofuran-2-yl acetate
(2r,3r,4r)-3,4-bis[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-ol
4,9-dihydroxy-4a-methyl-5-[(2-methylbut-2-enoyl)oxy]-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-7-yl 2-methylbut-2-enoate
6-(acetyloxy)-5'-(furan-3-yl)-2'-hydroxy-5,7a,7b-trimethyl-hexahydro-1ah-spiro[naphtho[1,2-b]oxirene-4,3'-oxolan]-7-yl acetate
(1s,1's,2r,3r,6s,6's,9'r)-6-(acetyloxy)-3-(hydroxymethyl)-3-methyl-10'-methylidene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0¹,⁶]dodecan]-2-ylmethyl acetate
11-hydroxy-16-methoxy-3,10,12-trimethyl-14-methylidene-15,17-dioxo-18,20-dioxatetracyclo[11.5.2.0¹,⁶.0¹⁶,¹⁹]icos-4-ene-4-carboxylic acid
[(1s,2s,5r,8s,9s,10s,11r,12r,15s)-15-(acetyloxy)-9,10-dihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-12-yl]methyl acetate
(1s,2s,5s,6s,7r,8s,9r,12r)-5-(acetyloxy)-2,8,12-trihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
13-hydroxy-5-(hydroxymethyl)-2,11,12-trimethyl-6-oxo-7,17-dioxapentacyclo[10.3.1.1³,¹⁵.0⁵,¹⁵.0⁸,¹³]heptadec-1-en-16-yl 2-(hydroxymethyl)but-2-enoate
(1r,2s,4ar,5s,6s,8r,8ar)-2-(acetyloxy)-5-[2-(furan-3-yl)ethyl]-8-hydroxy-5,6-dimethyl-7-oxo-hexahydrospiro[naphthalene-1,2'-oxiran]-8a-ylmethyl acetate
[(2r,3r,4r)-2-(3,4,5-trimethoxyphenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]oxolan-3-yl]methanol
(6as,8s,9as)-5-chloro-3-[(1e,3e,5s)-3,5-dimethylhepta-1,3-dien-1-yl]-8-[(2r)-2-hydroxypropyl]-8-methoxy-6a-methyl-9h,9ah-furo[2,3-h]isochromen-6-one
C25H33ClO5 (448.20163980000007)
(4ar,4bs,5r,7r,8ar,9r,10ar)-3-(acetyloxy)-7-ethenyl-5,8a-dihydroxy-1,1,4a,7-tetramethyl-2,8-dioxo-4b,5,6,9,10,10a-hexahydrophenanthren-9-yl acetate
1,4a-dimethyl 5-{2-[5-(acetyloxy)-2-oxo-5h-furan-3-yl]ethyl}-1-methyl-6-methylidene-hexahydro-2h-naphthalene-1,4a-dicarboxylate
Bakkenolide-IIIa
{"Ingredient_id": "HBIN017540","Ingredient_name": "Bakkenolide-IIIa","Alias": "NA","Ingredient_formula": "C24H32O6S","Ingredient_Smile": "CC=C(C)C(=O)OC1C2C(CCC(C2(CC13C(=C)COC3=O)C)C)OC(=O)C=CSC","Ingredient_weight": "448.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35681","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "137706161","DrugBank_id": "NA"}
5-(acetyloxy)-2,8,12-trihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
1,4a-dimethyl (1s,4as,5s,8as)-5-{2-[(2r)-2-(acetyloxy)-5-oxo-2h-furan-3-yl]ethyl}-1-methyl-6-methylidene-hexahydro-2h-naphthalene-1,4a-dicarboxylate
(1r,2s,3r,5s,8s,9s,10s,11r,15s)-15-(acetyloxy)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-3-yl acetate
(1s,2s,7s,8r)-3,3,5,8,10,10-hexamethoxy-11-[(1e)-prop-1-en-1-yl]-7-(prop-2-en-1-yl)tricyclo[6.2.2.0²,⁷]dodeca-5,11-diene-4,9-dione
(1s,2s,3s,5s,8r,9r,10s,11r,18r)-3-(acetyloxy)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-18-yl acetate
5-(acetyloxy)-9-hydroxy-4,8,12-trimethyl-16-methylidene-17-oxo-3,18-dioxatricyclo[13.3.0.0²,⁴]octadeca-7,11-dien-14-yl acetate
(6as,9as)-5-chloro-3-[(1e,3e)-3,5-dimethylhepta-1,3-dien-1-yl]-8-(2-hydroxypropyl)-8-methoxy-6a-methyl-9h,9ah-furo[2,3-h]isochromen-6-one
C25H33ClO5 (448.20163980000007)
(4s,4as,5r,6s,8ar,9as)-6,9a-bis(acetyloxy)-3,4a,5-trimethyl-2-oxo-4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-4-yl (2z)-2-methylbut-2-enoate
2-[2,4-bis(acetyloxy)-6-methyl-5-oxo-7-oxabicyclo[4.1.0]heptan-3-yl]-6-methylhepta-1,5-dien-3-yl 2-methylbut-2-enoate
(1r,2r,3s,7s,8s,9r,12z,14s,17r)-7-(acetyloxy)-2-hydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadeca-4,12-dien-9-yl acetate
(4e)-15-hydroxy-15-isopropyl-1,4,11-trimethyl-7,16,17-trioxo-6,18-dioxatricyclo[12.4.0.0⁵,⁹]octadeca-4,11-dien-10-yl acetate
2-(acetyloxy)-6,8-dihydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-11-yl acetate
(1s,2s,3r,5s,8s,9s,10s,11r,15s)-15-(acetyloxy)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-3-yl acetate
6-(acetyloxy)-8,11-dihydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-2-yl acetate
(1s,2s,3s,6r,7s,8r,9s,10s)-7-(acetyloxy)-3,6,10-trihydroxy-2,10-dimethyl-5-(propan-2-ylidene)-14-oxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-11(15),12-dien-8-yl acetate
6-(acetyloxy)-2-(hydroxymethyl)-3-methyl-10'-methylidene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0¹,⁶]dodecan]-3-ylmethyl acetate
(1r,4ar,5r,6as,7s,10ar,11as,11br)-1-(acetyloxy)-6a,7-dihydroxy-4,4,8,11b-tetramethyl-9-oxo-1h,4ah,5h,6h,7h,10ah,11h,11ah-phenanthro[3,2-b]furan-5-yl acetate
1,4a-dimethyl (1s,4as,5s,8as)-5-{2-[(5s)-5-(acetyloxy)-2-oxo-5h-furan-3-yl]ethyl}-1-methyl-6-methylidene-hexahydro-2h-naphthalene-1,4a-dicarboxylate
(1s,2s,6r,10s,11r,13s,14r,15r)-14-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-13-yl acetate
(1r,2s,3r,5s,8s,10s,11r,15s)-15-(acetyloxy)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-3-yl acetate
3,3,5,8,10,10-hexamethoxy-11-(prop-1-en-1-yl)-7-(prop-2-en-1-yl)tricyclo[6.2.2.0²,⁷]dodeca-5,11-diene-4,9-dione
(1s,1's,2r,6s,6's,7's,9's)-6-(acetyloxy)-7'-hydroxy-3,3-dimethyl-10'-methylidene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0¹,⁶]dodecan]-2-ylmethyl acetate
{8-[(acetyloxy)methyl]-11-hydroxy-7,7-dimethyl-14-methylidene-2,15-dioxo-5-oxatetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-9-yl}methyl acetate
8-(acetyloxy)-3,6,10-trihydroxy-2,10-dimethyl-5-(propan-2-ylidene)-14-oxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-11(15),12-dien-7-yl acetate
(2r,2as,4ar,7r,7as,7br)-2a,4a,7-trihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1h,2h,5h,7h,7ah-cyclobuta[e]inden-2-yl 2-hydroxy-4-methoxy-6-methylbenzoate
(3s)-2-[(1s,2r,3r,4s,6s)-2,4-bis(acetyloxy)-6-methyl-5-oxo-7-oxabicyclo[4.1.0]heptan-3-yl]-6-methylhepta-1,5-dien-3-yl (2z)-2-methylbut-2-enoate
5-chloro-3-(3,5-dimethylhepta-1,3-dien-1-yl)-8-(2-hydroxypropyl)-8-methoxy-6a-methyl-9h,9ah-furo[2,3-h]isochromen-6-one
C25H33ClO5 (448.20163980000007)