Exact Mass: 583.2352092000001
Exact Mass Matches: 583.2352092000001
Found 375 metabolites which its exact mass value is equals to given mass value 583.2352092000001,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Dihydrostreptomycin
C21H41N7O12 (583.2813066000001)
S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AA - Antibiotics C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic Origin: Microbe, Glycosides, Aminoglycosides KEIO_ID D108; [MS2] KO008925 KEIO_ID D108
Dihydroergotamine
Dihydroergotamine is only found in individuals that have used or taken this drug. It is a 9,10alpha-dihydro derivative of ergotamine. It is used as a vasoconstrictor, specifically for the therapy of migraine disorders. [PubChem]Two theories have been proposed to explain the efficacy of 5-HT1D receptor agonists in migraine: 1) activation of 5-HT1D receptors located on intracranial blood vessels, including those on arterio-venous anastomoses, leads to vasoconstriction, which correlates with the relief of migraine headache and 2) activation of 5-HT1D receptors on sensory nerve endings of the trigeminal system results in the inhibition of pro-inflammatory neuropeptide release. N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CA - Ergot alkaloids C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
tricoumaroyl spermidine
C34H37N3O6 (583.2682222000001)
Annotation level-3
Brigatinib
C29H39ClN7O2P (583.2591233999999)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01ED - Anaplastic lymphoma kinase (alk) inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C141136 - ALK Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
Dihydroegotamine
Dihydrostreptomycin
C21H41N7O12 (583.2813066000001)
N-succinyl-chitosan
Pyripyropene A
ITX-5061 free base
C30H37N3O7S (583.2352092000001)
tricoumaroyl spermidine
C34H37N3O6 (583.2682222000001)
Tricoumaroyl spermidine belongs to coumaric acids and derivatives class of compounds. Those are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Tricoumaroyl spermidine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Tricoumaroyl spermidine can be found in a number of food items such as winter squash, red rice, common pea, and eggplant, which makes tricoumaroyl spermidine a potential biomarker for the consumption of these food products.
Anthelmycin
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
4-amino-1-[4-amino-O2-(3-amino-beta-D-3-deoxy-glucopyranosyl)-beta-D-glycero-D-galacto-D-gluco-4-deoxy-undecopyranosyl]-1H-pyrimidin-2-one|Hikizimycin
dihydroergotamine
Ergotamine in which a single bond replaces the double bond between positions 9 and 10. A semisynthetic ergot alkaloid with weaker oxytocic and vasoconstrictor properties than ergotamine, it is used (as the methanesulfonic or tartaric acid salts) for the treatment of migraine and orthostatic hypotension. N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CA - Ergot alkaloids C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D002491 - Central Nervous System Agents > D000700 - Analgesics relative retention time with respect to 9-anthracene Carboxylic Acid is 0.880 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.878 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.874
Tricoumaroyl spermidine (isomer of 2951)
C34H37N3O6 (583.2682222000001)
Annotation level-3
Tricoumaroyl spermidine (isomer of 2952)
C34H37N3O6 (583.2682222000001)
Annotation level-3
Cys Glu Phe Trp
C28H33N5O7S (583.2100588000001)
Cys Glu Trp Phe
C28H33N5O7S (583.2100588000001)
Cys Phe Glu Trp
C28H33N5O7S (583.2100588000001)
Cys Phe Trp Glu
C28H33N5O7S (583.2100588000001)
Cys Ile Trp Tyr
Cys Ile Tyr Trp
Cys Leu Trp Tyr
Cys Leu Tyr Trp
Cys Trp Glu Phe
C28H33N5O7S (583.2100588000001)
Cys Trp Phe Glu
C28H33N5O7S (583.2100588000001)
Cys Trp Ile Tyr
Cys Trp Leu Tyr
Cys Trp Tyr Ile
Cys Trp Tyr Leu
Cys Tyr Ile Trp
Cys Tyr Leu Trp
Cys Tyr Trp Ile
Cys Tyr Trp Leu
Asp Phe Phe Arg
Asp Phe Arg Phe
Asp Met Arg Tyr
C24H37N7O8S (583.2424202000001)
Asp Met Tyr Arg
C24H37N7O8S (583.2424202000001)
Asp Arg Phe Phe
Asp Arg Met Tyr
C24H37N7O8S (583.2424202000001)
Asp Arg Tyr Met
C24H37N7O8S (583.2424202000001)
Asp Thr Trp Tyr
Asp Thr Tyr Trp
Asp Trp Thr Tyr
Asp Trp Tyr Thr
Asp Tyr Met Arg
C24H37N7O8S (583.2424202000001)
Asp Tyr Arg Met
C24H37N7O8S (583.2424202000001)
Asp Tyr Thr Trp
Asp Tyr Trp Thr
Glu Cys Phe Trp
C28H33N5O7S (583.2100588000001)
Glu Cys Trp Phe
C28H33N5O7S (583.2100588000001)
Glu Phe Cys Trp
C28H33N5O7S (583.2100588000001)
Glu Phe Trp Cys
C28H33N5O7S (583.2100588000001)
Glu His Ile Trp
Glu His Leu Trp
Glu His Trp Ile
Glu His Trp Leu
Glu Ile His Trp
Glu Ile Trp His
Glu Leu His Trp
Glu Leu Trp His
Glu Ser Trp Tyr
Glu Ser Tyr Trp
Glu Trp Cys Phe
C28H33N5O7S (583.2100588000001)
Glu Trp Phe Cys
C28H33N5O7S (583.2100588000001)
Glu Trp His Ile
Glu Trp His Leu
Glu Trp Ile His
Glu Trp Leu His
Glu Trp Ser Tyr
Glu Trp Tyr Ser
Glu Tyr Ser Trp
Glu Tyr Trp Ser
Phe Cys Glu Trp
C28H33N5O7S (583.2100588000001)
Phe Cys Trp Glu
C28H33N5O7S (583.2100588000001)
Phe Asp Phe Arg
Phe Asp Arg Phe
Phe Glu Cys Trp
C28H33N5O7S (583.2100588000001)
Phe Glu Trp Cys
C28H33N5O7S (583.2100588000001)
Phe Phe Asp Arg
Phe Phe Arg Asp
Phe Met Met Arg
C25H41N7O5S2 (583.2610456000001)
Phe Met Arg Met
C25H41N7O5S2 (583.2610456000001)
Phe Met Thr Trp
Phe Met Trp Thr
Phe Arg Asp Phe
Phe Arg Phe Asp
Phe Arg Met Met
C25H41N7O5S2 (583.2610456000001)
Phe Thr Met Trp
Phe Thr Trp Met
Phe Trp Cys Glu
C28H33N5O7S (583.2100588000001)
Phe Trp Glu Cys
C28H33N5O7S (583.2100588000001)
Phe Trp Met Thr
Phe Trp Thr Met
His Glu Ile Trp
His Glu Leu Trp
His Glu Trp Ile
His Glu Trp Leu
His His Gln Tyr
His His Tyr Gln
His Ile Glu Trp
His Ile Trp Glu
His Leu Glu Trp
His Leu Trp Glu
His Asn Gln Trp
His Asn Trp Gln
His Gln His Tyr
His Gln Asn Trp
His Gln Trp Asn
His Gln Tyr His
His Trp Glu Ile
His Trp Glu Leu
His Trp Ile Glu
His Trp Leu Glu
His Trp Asn Gln
His Trp Gln Asn
His Tyr His Gln
His Tyr Gln His
Ile Cys Trp Tyr
Ile Cys Tyr Trp
Ile Glu His Trp
Ile Glu Trp His
Ile His Glu Trp
Ile His Trp Glu
Ile Trp Cys Tyr
Ile Trp Glu His
Ile Trp His Glu
Ile Trp Tyr Cys
Ile Tyr Cys Trp
Ile Tyr Trp Cys
Leu Cys Trp Tyr
Leu Cys Tyr Trp
Leu Glu His Trp
Leu Glu Trp His
Leu His Glu Trp
Leu His Trp Glu
Leu Trp Cys Tyr
Leu Trp Glu His
Leu Trp His Glu
Leu Trp Tyr Cys
Leu Tyr Cys Trp
Leu Tyr Trp Cys
Met Asp Arg Tyr
C24H37N7O8S (583.2424202000001)
Met Asp Tyr Arg
C24H37N7O8S (583.2424202000001)
Met Phe Met Arg
C25H41N7O5S2 (583.2610456000001)
Met Phe Arg Met
C25H41N7O5S2 (583.2610456000001)
Met Phe Thr Trp
Met Phe Trp Thr
Met Met Phe Arg
C25H41N7O5S2 (583.2610456000001)
Met Met Arg Phe
C25H41N7O5S2 (583.2610456000001)
Met Arg Asp Tyr
C24H37N7O8S (583.2424202000001)
Met Arg Phe Met
C25H41N7O5S2 (583.2610456000001)
Met Arg Met Phe
C25H41N7O5S2 (583.2610456000001)
Met Arg Tyr Asp
C24H37N7O8S (583.2424202000001)
Met Thr Phe Trp
Met Thr Trp Phe
Met Trp Phe Thr
Met Trp Thr Phe
Met Tyr Asp Arg
C24H37N7O8S (583.2424202000001)
Met Tyr Arg Asp
C24H37N7O8S (583.2424202000001)
Asn His Gln Trp
Asn His Trp Gln
Asn Gln His Trp
Asn Gln Trp His
Asn Trp His Gln
Asn Trp Gln His
Gln His His Tyr
Gln His Asn Trp
Gln His Trp Asn
Gln His Tyr His
Gln Asn His Trp
Gln Asn Trp His
Gln Trp His Asn
Gln Trp Asn His
Gln Tyr His His
Arg Asp Phe Phe
Arg Asp Met Tyr
C24H37N7O8S (583.2424202000001)
Arg Asp Tyr Met
C24H37N7O8S (583.2424202000001)
Arg Phe Asp Phe
Arg Phe Phe Asp
Arg Phe Met Met
C25H41N7O5S2 (583.2610456000001)
Arg Met Asp Tyr
C24H37N7O8S (583.2424202000001)
Arg Met Phe Met
C25H41N7O5S2 (583.2610456000001)
Arg Met Met Phe
C25H41N7O5S2 (583.2610456000001)
Arg Met Tyr Asp
C24H37N7O8S (583.2424202000001)
Arg Tyr Asp Met
C24H37N7O8S (583.2424202000001)
Arg Tyr Met Asp
C24H37N7O8S (583.2424202000001)
Ser Glu Trp Tyr
Ser Glu Tyr Trp
Ser Trp Glu Tyr
Ser Trp Tyr Glu
Ser Tyr Glu Trp
Ser Tyr Trp Glu
Thr Asp Trp Tyr
Thr Asp Tyr Trp
Thr Phe Met Trp
Thr Phe Trp Met
Thr Met Phe Trp
Thr Met Trp Phe
Thr Trp Asp Tyr
Thr Trp Phe Met
Thr Trp Met Phe
Thr Trp Tyr Asp
Thr Tyr Asp Trp
Thr Tyr Trp Asp
Trp Cys Glu Phe
C28H33N5O7S (583.2100588000001)
Trp Cys Phe Glu
C28H33N5O7S (583.2100588000001)
Trp Cys Ile Tyr
Trp Cys Leu Tyr
Trp Cys Tyr Ile
Trp Cys Tyr Leu
Trp Asp Thr Tyr
Trp Asp Tyr Thr
Trp Glu Cys Phe
C28H33N5O7S (583.2100588000001)
Trp Glu Phe Cys
C28H33N5O7S (583.2100588000001)
Trp Glu His Ile
Trp Glu His Leu
Trp Glu Ile His
Trp Glu Leu His
Trp Glu Ser Tyr
Trp Glu Tyr Ser
Trp Phe Cys Glu
C28H33N5O7S (583.2100588000001)
Trp Phe Glu Cys
C28H33N5O7S (583.2100588000001)
Trp Phe Met Thr
Trp Phe Thr Met
Trp His Glu Ile
Trp His Glu Leu
Trp His Ile Glu
Trp His Leu Glu
Trp His Asn Gln
Trp His Gln Asn
Trp Ile Cys Tyr
Trp Ile Glu His
Trp Ile His Glu
Trp Ile Tyr Cys
Trp Leu Cys Tyr
Trp Leu Glu His
Trp Leu His Glu
Trp Leu Tyr Cys
Trp Met Phe Thr
Trp Met Thr Phe
Trp Asn His Gln
Trp Asn Gln His
Trp Gln His Asn
Trp Gln Asn His
Trp Ser Glu Tyr
Trp Ser Tyr Glu
Trp Thr Asp Tyr
Trp Thr Phe Met
Trp Thr Met Phe
Trp Thr Tyr Asp
Trp Tyr Cys Ile
Trp Tyr Cys Leu
Trp Tyr Asp Thr
Trp Tyr Glu Ser
Trp Tyr Ile Cys
Trp Tyr Leu Cys
Trp Tyr Ser Glu
Trp Tyr Thr Asp
Tyr Cys Ile Trp
Tyr Cys Leu Trp
Tyr Cys Trp Ile
Tyr Cys Trp Leu
Tyr Asp Met Arg
C24H37N7O8S (583.2424202000001)
Tyr Asp Arg Met
C24H37N7O8S (583.2424202000001)
Tyr Asp Thr Trp
Tyr Asp Trp Thr
Tyr Glu Ser Trp
Tyr Glu Trp Ser
Tyr His His Gln
Tyr His Gln His
Tyr Ile Cys Trp
Tyr Ile Trp Cys
Tyr Leu Cys Trp
Tyr Leu Trp Cys
Tyr Met Asp Arg
C24H37N7O8S (583.2424202000001)
Tyr Met Arg Asp
C24H37N7O8S (583.2424202000001)
Tyr Gln His His
Tyr Arg Asp Met
C24H37N7O8S (583.2424202000001)
Tyr Arg Met Asp
C24H37N7O8S (583.2424202000001)
Tyr Ser Glu Trp
Tyr Ser Trp Glu
Tyr Thr Asp Trp
Tyr Thr Trp Asp
Tyr Trp Cys Ile
Tyr Trp Cys Leu
Tyr Trp Asp Thr
Tyr Trp Glu Ser
Tyr Trp Ile Cys
Tyr Trp Leu Cys
Tyr Trp Ser Glu
Tyr Trp Thr Asp
(3R,4S)-tert-Butyl 3-(bis(4-Methoxyphenyl)(phenyl)Methoxy)-4-((Methylsulfonyl)oxy)pyrrolidine-1-carboxylate
Pyripyropene A
A sesquiterpenoid that consists of (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-4-(acetoxymethyl)-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromene-3,6-diol in which the hydrogens of the 3- and 6-hydroxy functions are substituted by acetyl groups.
4-[6-[(6-Bromo-8-cyclopentyl-7,8-dihydro-5-methyl-7- oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]-1- piperazinecarboxylic acid 1,1-dimethylethyl ester
Methyl 2-[(2-methylpyridin-4-yl)methyl]-1-oxo-8-(pyrimidin-2-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydro-2,7-naphthyridine-3-carboxylate
C31H29N5O7 (583.2066884000001)
(5R,6R)-2,4-Bis-(4-hydroxy-3-methoxybenzyl)-1,5-dibenzyl-3-oxo-6-hydroxy-1,2,4-triazacycloheptane
C34H37N3O6 (583.2682222000001)
Brigatinib
C29H39ClN7O2P (583.2591233999999)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01ED - Anaplastic lymphoma kinase (alk) inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C141136 - ALK Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
2-[(1S,4S)-5-(diaminomethylideneamino)-2-[(2R,5S)-3-[(2S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl]guanidine
C21H41N7O12 (583.2813066000001)
N-[4-[[(2,4-Diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-gammaGlu-L-gammaGlu-OH
C25H29N9O8 (583.2138994000001)
[(5R,6E,8E,10E,13S,14R,15R,16Z)-15-hydroxy-5-methoxy-14,16-dimethyl-3,24-dioxo-22-thia-2,25-diazatricyclo[18.7.1.021,26]octacosa-1(28),6,8,10,16,20,26-heptaen-13-yl] (2R)-2-aminopropanoate
C31H41N3O6S (583.2715926000001)
1-[5-[3-Amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]pyrrolidine-2,5-dione
N-[(2R,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
(6aS,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
2-[(2R,4aS,12aS)-8-[[(4-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
2-[(2S,4aS,12aR)-8-[[(4-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
2-[(2R,4aS,12aR)-8-[(4-chlorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-piperidin-1-ylethyl)acetamide
2-[(2S,4aR,12aS)-8-[(4-chlorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-piperidin-1-ylethyl)acetamide
2-[(2S,4aR,12aR)-8-[[(4-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
N-[(2R,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
1-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
C30H37N3O7S (583.2352092000001)
1-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
C30H37N3O7S (583.2352092000001)
2-[(2S,4aS,12aS)-8-[[(4-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide
1-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
C30H37N3O7S (583.2352092000001)
1-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
C30H37N3O7S (583.2352092000001)
1-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
C30H37N3O7S (583.2352092000001)
1-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
C30H37N3O7S (583.2352092000001)
1-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
C30H37N3O7S (583.2352092000001)
1-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
C30H37N3O7S (583.2352092000001)
2-[(2R,4aR,12aR)-8-[[(4-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
2-[(2R,4aR,12aS)-8-[[(4-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-ylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-methoxybenzamide
C34H37N3O6 (583.2682222000001)
(6aS,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Antelmycin
A nucleoside antibiotic with anthelminthic properties that is isolated from Streptomyces longissimus.
ouabain(1-)
An organic anion that is the conjugate base of ouabain resulting from the deprotonation of the furanone moiety; major species at pH 7.3.
12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1-)
A cyclic tetrapyrrole anion that is the conjugate base of 12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d, obtained by deprotonation of the carboxy group; major species at pH 7.3.
ASTX029
ASTX029 (Example 1) is a potent dual ERK1/2 inhibitor (IC50: 2.7 nM). ASTX029 has anti-cancer activity[1][2].
(1r,2s,3s,5s,6r,8s,10e,12r,13s,14s,15s,16r,17s)-14-(acetyloxy)-17-benzyl-6,13,19-trihydroxy-6,8,14,15-tetramethyl-7-oxo-4-oxa-18-azatetracyclo[10.7.0.0¹,¹⁶.0³,⁵]nonadeca-10,18-dien-2-yl acetate
(4s,5r)-4-hydroxy-5-({4-hydroxy-3-[(2e,4e,6r)-6-(hydroxymethyl)-4-methylocta-2,4-dienoyl]-5-(4-hydroxyphenyl)-2-oxopyridin-1-yl}oxy)-10-methyloxecane-2,7-dione
(2r,4r,7r)-n-[(1s,2s,4r,7s)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraene-4-carboximidic acid
(1r,2s,3s,5s,6r,8s,10e,12r,13s,14s,15s,16r,17s)-13-(acetyloxy)-17-benzyl-6,14,19-trihydroxy-6,8,14,15-tetramethyl-7-oxo-4-oxa-18-azatetracyclo[10.7.0.0¹,¹⁶.0³,⁵]nonadeca-10,18-dien-2-yl acetate
(2e)-n-{3-[(2e)-n-(4-{[(2e)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}butyl)-3-(4-hydroxyphenyl)prop-2-enamido]propyl}-3-(4-hydroxyphenyl)prop-2-enimidic acid
C34H37N3O6 (583.2682222000001)
(1r,2s,3s,5s,6r,8s,10e,12r,13s,14r,15s,16r,17s)-13-(acetyloxy)-17-benzyl-6,14,19-trihydroxy-6,8,14,15-tetramethyl-7-oxo-4-oxa-18-azatetracyclo[10.7.0.0¹,¹⁶.0³,⁵]nonadeca-10,18-dien-2-yl acetate
(4s,5s,6s)-4,5-dihydroxy-6-[(r)-[(3s,4r,5r)-4-hydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)-3-methoxyoxolan-2-yl](c-hydroxycarbonimidoyl)methoxy]-n-[(3s,7r)-2-hydroxy-7-methyl-4,5,6,7-tetrahydro-3h-azepin-3-yl]-5,6-dihydro-4h-pyran-2-carboximidic acid
n-{3-[n-(4-{[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}butyl)-3-(4-hydroxyphenyl)prop-2-enamido]propyl}-3-(4-hydroxyphenyl)prop-2-enimidic acid
C34H37N3O6 (583.2682222000001)
(1r,2s,3r,4s,4as,8ar)-4-[(1s)-1-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-3-hydroxy-3,4,8,8a-tetramethyl-2-[(2-methylpropanoyl)oxy]-2,4a,5,6-tetrahydro-1h-naphthalen-1-yl pyridine-3-carboxylate
methyl (1s,3r,4r)-1-{[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-3-ethyl-3,10,12-trihydroxy-4-methyl-6,11-dioxo-2,4-dihydro-1h-tetracene-5-carboxylate
n-[(1s,2s,3r,4s,5s,6r)-3-carbamimidamido-4-{[(2r,3r,4r,5s)-3-{[(2s,3s,4s,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy}-2,5,6-trihydroxycyclohexyl]guanidine
C21H41N7O12 (583.2813066000001)
(4s,5s,6s)-4,5-dihydroxy-6-[(r)-[(2s,3s,4r,5r)-4-hydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)-3-methoxyoxolan-2-yl](c-hydroxycarbonimidoyl)methoxy]-n-[(3s,7r)-2-hydroxy-7-methyl-4,5,6,7-tetrahydro-3h-azepin-3-yl]-5,6-dihydro-4h-pyran-2-carboximidic acid
8-(acetyloxy)-7-(benzoyloxy)-2,5-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-12-yl 1-methyl-6-oxopyridine-3-carboxylate
n-[(1s,2r,3r,4s,5r,6r)-3-carbamimidamido-6-{[(2r,3r,4r,5s)-3-{[(2s,3s,4s,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy}-2,4,5-trihydroxycyclohexyl]guanidine
C21H41N7O12 (583.2813066000001)
(1r,2r,5r,6r,7s,8r,9s,12s)-8-(acetyloxy)-7-(benzoyloxy)-2,5-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-12-yl 1-methyl-6-oxopyridine-3-carboxylate
(2e)-n-[(1e)-7-[(3-aminopropyl)amino]-1-(4-hydroxyphenyl)-3-oxohept-1-en-4-yl]-3-(4-hydroxyphenyl)-n-[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]prop-2-enamide
C34H37N3O6 (583.2682222000001)