Exact Mass: 528.1398314
Exact Mass Matches: 528.1398314
Found 356 metabolites which its exact mass value is equals to given mass value 528.1398314
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Tremulacin
Tremulacin is a glycoside. Tremulacin is a natural product found in Populus tremula, Populus tomentosa, and other organisms with data available.
Mahuannin D
A proanthocyanidin isolated form Ephedra sinica.
17-beta-estradiol 3-sulfate-17-(beta-D-glucuronide)
17-beta-estradiol 3-sulfate-17-(beta-D-glucuronide) is a natural human metabolite of 17beta-estradiol 3-sulfate 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-beta-estradiol 3-sulfate-17-(beta-D-glucuronide) is a natural human metabolite of 17beta-estradiol 3-sulfate generated in the liver by UDP glucuonyltransferase.
Cefquinome
Lactose citrate
Razaxaban
1H-Cyclohepta(ghi)perylene-5,12-dione, 3-acetyl-6,11-dihydroxy-4,8,9,13-tetramethoxy-2-methyl-
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents D003879 - Dermatologic Agents
Hypocrellin C
Hypocrellin b is a natural product found in Shiraia bambusicola with data available. Hypocrellin B, a pigment isolated from the fungi Hypocrella bambusae and Shiraia bambusicola, is an apoptosis inducer. Hypocrellin B can be used as a photosensitizer for photodynamic therapy of cancer. Hypocrellin B also has antimicrobial and antileishmanial activities[1][2][3]. Hypocrellin B, a pigment isolated from the fungi Hypocrella bambusae and Shiraia bambusicola, is an apoptosis inducer. Hypocrellin B can be used as a photosensitizer for photodynamic therapy of cancer. Hypocrellin B also has antimicrobial and antileishmanial activities[1][2][3].
HypocrellinC
Hypocrellin b is a natural product found in Shiraia bambusicola with data available. Hypocrellin B, a pigment isolated from the fungi Hypocrella bambusae and Shiraia bambusicola, is an apoptosis inducer. Hypocrellin B can be used as a photosensitizer for photodynamic therapy of cancer. Hypocrellin B also has antimicrobial and antileishmanial activities[1][2][3]. Hypocrellin B, a pigment isolated from the fungi Hypocrella bambusae and Shiraia bambusicola, is an apoptosis inducer. Hypocrellin B can be used as a photosensitizer for photodynamic therapy of cancer. Hypocrellin B also has antimicrobial and antileishmanial activities[1][2][3].
2-(4-Hydroxyphenyl)-3-(2,4-dihydroxybenzoyl)-5,4-[4,6-dihydroxy-1,2-phenyleneoxy(4-hydroxyphenylmethylene)]tetrahydrofuran
Daphnodorin J
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate
7-oxo-3,8,9-trihydroxystaurosporine trifluoroacetate
O-(4-deoxy-alpha-L-erythro-hex-4-enopyranosyluronic acid)-(1<*>4)-O-(beta-D-mannopyranuronic acid)-(1<*>4)-O-D-mannopyranuronic acid
Chrysoaphin-sl-1|Chrysoaphin-sl-2|chrysoaphin-Slambda-2
3,5-dihydroxy-2-[(4-hydroxyphenyl)carbonyl]phenyl 6-O-[(4-hydroxyphenyl)carbonyl]-beta-D-glucopyranoside|iriflophenone 2-O-[6-O-(4-hydroxybenzoyl)]-beta-D-glucopyranoside
(10S)-C-(5-O-acetyl-3-O-senecioyl)-beta-D-xylopyranosyl-1,8,10-trihydroxy-3-methyl-anthracen-9-one|alvaradoin J
2-methoxy-5-(1,2,3-trihydroxypropyl)-phenyl-1-O-(6-galloyl)-beta-D-glucopyranoside|2-Methoxy-5-(1,2,3-trihydroxypropyl)-phenyl-1-O-(6-galloyl)-??-D-glucopyranoside
3-ethenyl-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
hovenin A|{(2R,3R)-3,5,7,5-tetrahydroxy-2-[(2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-hydroxymethyl-2,3-dihydrobenzo[1,4]dioxin-6-yl]-chroman-4-one}
D-threo-guaiacylglycerol 8-O-beta-D-(6-O-galloyl)glucopyranoside
4-((2,4-dihydroxy-4-(hydroxymethyl)-3-((4-hydroxyphenyl)ethynyl)biphenyl-2-yl)(4-hydroxyphenyl)methylene)cyclohexa-2,5-dienone|selaginellin I
1-(3-beta-D-glucosyloxy-4-hydroxyphenyl)-3-hydroxymethyl-4-methoxy-6,7-methylenedioxy-2-naphthoic acid lactone|justalakonin
(2S)-dihydrotricin 4-O-(erythro-beta-guaiacylglyceryl) ether|(2S)-dihydrotricin 4-O-(threo-beta-guaiacylglyceryl) ether|calquiquelignan A|calquiquelignan B
4-((3-((3,4-dihydroxyphenyl)ethynyl)-4-hydroxy-4-(hydroxymethyl)biphenyl-2-yl)(4-hydroxyphenyl)methylene)cyclohexa-2,5-dienone|selaginellin J
2-(4-Hydroxyphenyl)-3-(2,4-dihydroxybenzoyl)-4-(4-hydroxybenzoyl)-5-(2,4-dihydroxyphenyl)tetrahydrofuran
Asp Glu His Glu
Oenin
C23H25ClO12 (528.1034480000001)
Primulin_(anthocyanin)
C23H25ClO12 (528.1034480000001)
Malvidin 3-galactoside is an anthocyanidin glycoside.
(2S,3R,4R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate
(2S,3R,4R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid [IIN-based: Match]
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate [IIN-based: Match]
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate [IIN-based on: CCMSLIB00000847571]
N2-Aristololactam-II-deoxyguanosine
C26H20N6O7 (528.1393410000001)
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 4-hydroxybenzoate_major
Cys Asp Glu Tyr
C21H28N4O10S (528.1526068000001)
Cys Asp Tyr Glu
C21H28N4O10S (528.1526068000001)
Cys Glu Asp Tyr
C21H28N4O10S (528.1526068000001)
Cys Glu Phe Met
Cys Glu Met Phe
Cys Glu Tyr Asp
C21H28N4O10S (528.1526068000001)
Cys Phe Glu Met
Cys Phe Met Glu
Cys Met Glu Phe
Cys Met Phe Glu
Cys Tyr Asp Glu
C21H28N4O10S (528.1526068000001)
Cys Tyr Glu Asp
C21H28N4O10S (528.1526068000001)
Asp Cys Glu Tyr
C21H28N4O10S (528.1526068000001)
Asp Cys Tyr Glu
C21H28N4O10S (528.1526068000001)
Asp Glu Cys Tyr
C21H28N4O10S (528.1526068000001)
Asp Glu Glu His
Asp Glu Tyr Cys
C21H28N4O10S (528.1526068000001)
Asp His Glu Glu
Asp Met Thr Tyr
Asp Met Tyr Thr
Asp Thr Met Tyr
Asp Thr Tyr Met
Asp Tyr Cys Glu
C21H28N4O10S (528.1526068000001)
Asp Tyr Glu Cys
C21H28N4O10S (528.1526068000001)
Asp Tyr Met Thr
Asp Tyr Thr Met
Glu Cys Asp Tyr
C21H28N4O10S (528.1526068000001)
Glu Cys Phe Met
Glu Cys Met Phe
Glu Cys Tyr Asp
C21H28N4O10S (528.1526068000001)
Glu Asp Cys Tyr
C21H28N4O10S (528.1526068000001)
Glu Asp Glu His
Glu Asp His Glu
Glu Asp Tyr Cys
C21H28N4O10S (528.1526068000001)
Glu Glu Asp His
Glu Glu His Asp
Glu Phe Cys Met
Glu Phe Met Cys
Glu His Asp Glu
Glu His Glu Asp
Glu Met Cys Phe
Glu Met Phe Cys
Glu Met Ser Tyr
Glu Met Tyr Ser
Glu Ser Met Tyr
Glu Ser Tyr Met
Glu Tyr Cys Asp
C21H28N4O10S (528.1526068000001)
Glu Tyr Asp Cys
C21H28N4O10S (528.1526068000001)
Glu Tyr Met Ser
Glu Tyr Ser Met
Phe Cys Glu Met
Phe Cys Met Glu
Phe Glu Cys Met
Phe Glu Met Cys
Phe Met Cys Glu
Phe Met Glu Cys
His Asp Glu Glu
His Glu Asp Glu
His Glu Glu Asp
Met Cys Glu Phe
Met Cys Phe Glu
Met Asp Thr Tyr
Met Asp Tyr Thr
Met Glu Cys Phe
Met Glu Phe Cys
Met Glu Ser Tyr
Met Glu Tyr Ser
Met Phe Cys Glu
Met Phe Glu Cys
Met Ser Glu Tyr
Met Ser Tyr Glu
Met Thr Asp Tyr
Met Thr Tyr Asp
Met Tyr Asp Thr
Met Tyr Glu Ser
Met Tyr Ser Glu
Met Tyr Thr Asp
Ser Glu Met Tyr
Ser Glu Tyr Met
Ser Met Glu Tyr
Ser Met Tyr Glu
Ser Tyr Glu Met
Ser Tyr Met Glu
Thr Asp Met Tyr
Thr Asp Tyr Met
Thr Met Asp Tyr
Thr Met Tyr Asp
Thr Tyr Asp Met
Thr Tyr Met Asp
Tyr Cys Asp Glu
C21H28N4O10S (528.1526068000001)
Tyr Cys Glu Asp
C21H28N4O10S (528.1526068000001)
Tyr Asp Cys Glu
C21H28N4O10S (528.1526068000001)
Tyr Asp Glu Cys
C21H28N4O10S (528.1526068000001)
Tyr Asp Met Thr
Tyr Asp Thr Met
Tyr Glu Cys Asp
C21H28N4O10S (528.1526068000001)
Tyr Glu Asp Cys
C21H28N4O10S (528.1526068000001)
Tyr Glu Met Ser
Tyr Glu Ser Met
Tyr Met Asp Thr
Tyr Met Glu Ser
Tyr Met Ser Glu
Tyr Met Thr Asp
Tyr Ser Glu Met
Tyr Ser Met Glu
Tyr Thr Asp Met
Tyr Thr Met Asp
17-beta-estradiol 3-sulfate-17-(beta-D-glucuronide)
[1,1-Binaphthalene]-2,2-diol, 3,3-bis(4-nitrophenyl)-, (1S)
Sivelestat Sodium
C20H29N2NaO11S (528.1389684000001)
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C783 - Protease Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
benzene-1,3-diol,formaldehyde,3-phenylbenzene-1,2-diol,4-phenylbenzene-1,2,3-triol
L-Alanine, N-[(2R)-2-deoxy-2-fluoro-2-methyl-P-phenyl-5-cytidylyl]-,1-methylethyl ester
Piperazine, 1-acetyl-4-(2-((4-((6-chloro-1,3-dioxolo(4,5-b)pyridin-7-yl)amino)-5-(1-methylethoxy)-7-quinazolinyl)oxy)ethyl)-
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
Razaxaban
C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent > C173067 - Direct Factor Xa Inhibitor C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent > C180619 - Direct Oral Anticoagulant
Nizofenone fumarate
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D020011 - Protective Agents
3-ethenyl-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
Rubidomycin
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D004791 - Enzyme Inhibitors
dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranose
C17H28N3O12P2- (528.1148168000001)
(2S,3R,4S)-2-[(2S,3R,4R,5R,6S)-2-carboxy-6-[(2S,3R,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
4-O-[4-O-(4-Deoxy-beta-L-threo-hexa-4-enopyranuronosyl)-alpha-D-galactopyranuronosyl]-alpha-D-galactopyranuronic acid
7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(5,6,7,8-tetrahydroquinolin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
1,8,9,10-Tetrahydroxy-5-(hydroxymethyl)-7-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,6,11,15-tetraoxatricyclo[7.3.3.05,10]pentadecane-3,12,14-trione
[9-[2-Carboxy-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium
7-Oxo-3,8,9-trihydroxy staurosporine
A indolocarbazole alkaloid that is staurosporine substituted by hydroxy groups at positions 3, 8 and 9 and an oxo group at position 7. Isolated from Cystodytes solitus, it exhibits cytotoxic activity.
Alvaradoin J
A C-glycosyl compound that is 1,8,10-trihydroxy-3-methylanthracen-9-one substituted by a 1-O-acetyl-3-O-senecioyl-alpha-L-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 10S stereoisomer). It is isolated from the leaves of Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma.
Alvaradoin I
A C-glycosyl compound that is 1,8,10-trihydroxy-3-methylanthracen-9-one substituted by a 1-O-acetyl-3-O-senecioyl-alpha-L-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 10R stereoisomer). It is isolated from the leaves of Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma.
ent-apigeniflavan-(2alpha->7,4alpha->8)-epiafzelechin
3-fluoro-N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
(3R)-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-2-(1-oxopropyl)-N-(2-thiazolyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
alpha-Neup5Gc-(2->6)-D-GalpNAc
An amino disaccharide consisting of an N-glycoloylneuraminyl residue linked alpha(2->6) to an N-acetylglucosamine moiety.
alpha-Neup5Gc-(2->6)-alpha-D-GalpNAc
alpha-Neup5Gc-(2->6)-D-GalpNAc in which the anomeric configuration at the reducing end is alpha.
4-fluoro-N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pyridin-4-yl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pyridin-4-yl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pyridin-4-yl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylthiophene-2-sulfonamide
N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylthiophene-2-sulfonamide
N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylthiophene-3-sulfonamide
4-fluoro-N-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pyridin-4-yl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pyridin-4-yl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pyridin-4-yl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pyridin-4-yl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
4-fluoro-N-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pyridin-4-yl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylthiophene-2-sulfonamide
N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylthiophene-3-sulfonamide
N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylthiophene-3-sulfonamide
N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylthiophene-2-sulfonamide
N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylthiophene-3-sulfonamide
3-fluoro-N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
3-fluoro-N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
3-fluoro-N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylthiophene-2-sulfonamide
N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylthiophene-3-sulfonamide
N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylthiophene-2-sulfonamide
N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylthiophene-2-sulfonamide
3-fluoro-N-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
3-fluoro-N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
3-fluoro-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
3-fluoro-N-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylthiophene-2-sulfonamide
N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylthiophene-3-sulfonamide
17beta-Estradiol-3-(beta-D-glucuronide) 17-sulfate
3,5-dideoxy-5-glycolamido-D-glycero-D-galacto-non-2-ulopyranosylonic acid-(2->6)-2-acetamido-2-deoxy-D-galacto-hexopyranose
3,5-dideoxy-5-glycolamido-D-glycero-D-galacto-non-2-ulopyranosylonic acid-(2->6)-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose
3,4,5-trihydroxy-6-[[3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-sulino-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-2-carboxylic acid
(3R,4S)-2-[(2S,3R,4R,5R)-2-carboxy-6-[(2S,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-[[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-4-sulfooxyoxane-2-carboxylic acid
(2S,3R,4S,5R,6S)-3,5-dihydroxy-6-[[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-sulfooxyoxane-2-carboxylic acid
(2S,3R,4R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,4-dihydro-2H-pyran-2,6-dicarboxylic acid
3-[2-O-(4-Hydroxybenzoyl)-beta-D-glucopyranosyl]-2,4,4,6-tetrahydroxybenzophenone
2-(1-(2,4-Dinitrophenylhydrazonomethyl)ethyl)-5-methylcyclopentanecarbaldehyde 2,4-dinitrophenylhydrazone
dTDP-4-(methylammonio)-2,3,4,6-tetradeoxy-alpha-D-glucose(1-)
C17H28N3O12P2 (528.1148168000001)
A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups and protonation of the amino group of dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-glucose; major species at pH 7.3.
Estradiol 17beta-glucuronide 3-sulfate
daunorubicin(1+)
An anthracycline cation that is the conjugate acid of daunorubicin, arising from protonation of the amino group.
LUT014
C27H19F3N8O (528.1633840000001)
LUT014 is a B-Raf inhibitor with an IC50 of 11.7 nM, and developed to reduce dose-limiting acneiform lesions associated EGFR Inhibitors treatment. Extracted from patent WO 2019026065A2 [1].
PSB-603
PSB-603 is a potent and highly selective A2B adenosine receptor antagonist exhibiting a Ki value of 0.553 nM and virtually no affinity for the human and rat A1 and A2A and the human A3 receptors up to a concentration of 10 μM[1].
Relenopride (hydrochloride)
C24H31Cl2FN4O4 (528.1706277999999)
Relenopride (YKP10811) hydrochloride is a specific and selective 5-HT4 receptor agonist (Ki=4.96 nM). Relenopride hydrochloride has 120-fold and 6-fold lower affinity, respectively, for 5-HT2A (Ki=600 nM) and 5-HT2B receptors (Ki=31 nM) than for 5-HT4. Relenopride hydrochloride increases gastrointestinal (GI) motility[1][2].
UGT8-IN-1
UGT8-IN-1 is a brain penetrable and orally active inhibitor of ceramide galactosyltransferase enzyme (UGT8). UGT8-IN-1 can be used in the study for lysosomal storage disorders[1].
(3r,4s,5r)-3,4,5-tris[(2-phenylacetyl)oxy]cyclohex-1-ene-1-carboxylic acid
(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-(2-{[(1s)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy]methyl}phenoxy)-6-(hydroxymethyl)oxan-4-yl benzoate
[(2r,3s,4s,5r,6r)-6-{[(1r,2s)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
3,4-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-3,4-dihydro-2h-pyran-2,6-dicarboxylic acid
(3ar,4r,9r,9as)-9-(2h-1,3-benzodioxol-5-yl)-3a,9a-dihydroxy-6,7,8-trimethoxy-1-oxo-3h,4h,9h-naphtho[2,3-c]furan-4-yl (2e)-2-methylbut-2-enoate
(2r,3r,4r,5r,6s)-2-(acetyloxy)-3,5-dihydroxy-6-[(9s)-4,5,9-trihydroxy-2-methyl-10-oxoanthracen-9-yl]oxan-4-yl 3-methylbut-2-enoate
[(2r,3s,4s,5r,6r)-6-{[(1s,2s)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
4,5,6-trihydroxy-2,3-dimethyl-9-{4,5,6-trihydroxy-2-methyl-8-oxocyclohexa[g]chromen-9-yl}cyclohexa[g]chromen-8-one
5-[(10s,11s)-10-(3,5-dihydroxyphenyl)-11-(4-hydroxy-3-methoxyphenyl)-2-methoxy-4,12-dioxatricyclo[7.3.0.0³,⁷]dodeca-1(9),2,5,7-tetraen-5-yl]benzene-1,3-diol
(6bs,10s,10as,11r)-10-(3,4-dihydroxyphenyl)-5-hydroxy-11-(4-hydroxy-2-methoxyphenyl)-6-methoxy-8-methyl-6bh,9h,10h,10ah,11h-indeno[2,1-f]chromen-3-one
11,12,18,23-tetrahydroxy-5-methoxy-6-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),17,20(27),21(26),22,24-decaen-16-one
8-O-galloyl desbenzoylpaeoniflorin
{"Ingredient_id": "HBIN013857","Ingredient_name": "8-O-galloyl desbenzoylpaeoniflorin","Alias": "NA","Ingredient_formula": "C23H28O14","Ingredient_Smile": "CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC(=C(C(=C5)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O","Ingredient_weight": "528.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34553","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "15450040","DrugBank_id": "NA"}