Exact Mass: 528.1816
Exact Mass Matches: 528.1816
Found 500 metabolites which its exact mass value is equals to given mass value 528.1816
,
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.
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.
Physalin O
Physalin O is a physalin. Physalin O is a natural product found in Alkekengi officinarum var. franchetii, Physalis lagascae, and Physalis minima with data available. Physalin O is found in fruits. Physalin O is a constituent of Physalis alkekengi (winter cherry). Constituent of Physalis alkekengi (winter cherry). Physalin O is found in fruits.
Physalin L
Physalin L is a natural product found in Alkekengi officinarum var. franchetii, Physalis lagascae, and Physalis minima with data available. Physalin L is found in fruits. Physalin L is a constituent of Physalis alkekengi (winter cherry)
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated. 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside is found in cereals and cereal products. 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside is a constituent of rice (Oryza sativa) flower anthers. Constituent of rice (Oryza sativa) flower anthers. 16,17-Dihydro-16a,17-dihydroxygibberellin A4 17-glucoside is found in cereals and cereal products.
(2-((5-Chloro-2-((4-(4-(dimethylamino)piperidin-1-yl)-2-methoxyphenyl)amino)pyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide
Methanone, 1,1'-(1,4-piperazinediyl)bis(1-(6-(1H-benzimidazol-2-yl)-2-pyridinyl)-
C308 - Immunotherapeutic Agent
Razaxaban
Cinnabarone
[6-acetoxy-4-(4-acetoxy-3-methoxy-phenyl)-3-(acetoxymethyl)-7-methoxy-tetralin-2-yl]methyl acetate
7-oxo-3,8,9-trihydroxystaurosporine trifluoroacetate
bistratamide G
A homodetic cyclic peptide that consists of L-valine as the amino acid residue. It is isolated from Lissoclinum bistratum and exhibits antitumour activity against the human colon tumour cell line.
(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
Rutaevin 7-acetate
Rutaevin 7-acetate is a natural product found in Microula sikkimensis with data available.
beta-D-fructofuranosyl-(2->1)-alpha-D-[2-O-L-tryptophanyl]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
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
(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
Asp Glu His Glu
C25H36O12_2,7-Octadienoic acid, 6-hydroxy-2,6-dimethyl-, (1aR,1bS,2S,5aS,6R,6aS)-2-(beta-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a-hydroxy-1a-methyloxireno[4,5]cyclopenta[1,2-c]pyran-6-yl ester, (2E,6S)
[(1aR,1bS,2S,5aS,6R,6aS)-5a-hydroxy-1a-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1b,2,6,6a-tetrahydrooxireno[1,2]cyclopenta[4,5-b]pyran-6-yl] (2E,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoate
(2R,7S,13R,14R,16S,19R,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-5,12,17-trioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosan-11-yl acetate
[(1aR,1bS,2S,5aS,6R,6aS)-5a-hydroxy-1a-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1b,2,6,6a-tetrahydrooxireno[1,2]cyclopenta[4,5-b]pyran-6-yl] (2E,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoate_major
[(1aR,1bS,2S,5aS,6R,6aS)-5a-hydroxy-1a-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1b,2,6,6a-tetrahydrooxireno[1,2]cyclopenta[4,5-b]pyran-6-yl] (2E,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoate_35.8\\%
Cys Asp Glu Tyr
Cys Asp Tyr Glu
Cys Glu Asp Tyr
Cys Glu Phe Met
Cys Glu Met Phe
Cys Glu Tyr Asp
Cys Phe Glu Met
Cys Phe Met Glu
Cys Phe Pro Tyr
Cys Phe Tyr Pro
Cys Ile Met Tyr
Cys Ile Tyr Met
Cys Leu Met Tyr
Cys Leu Tyr Met
Cys Met Glu Phe
Cys Met Phe Glu
Cys Met Ile Tyr
Cys Met Leu Tyr
Cys Met Tyr Ile
Cys Met Tyr Leu
Cys Pro Phe Tyr
Cys Pro Tyr Phe
Cys Tyr Asp Glu
Cys Tyr Glu Asp
Cys Tyr Phe Pro
Cys Tyr Ile Met
Cys Tyr Leu Met
Cys Tyr Met Ile
Cys Tyr Met Leu
Cys Tyr Pro Phe
Asp Cys Glu Tyr
Asp Cys Tyr Glu
Asp Glu Cys Tyr
Asp Glu Glu His
Asp Glu Tyr Cys
Asp His Glu Glu
Asp Met Thr Tyr
Asp Met Tyr Thr
Asp Thr Met Tyr
Asp Thr Tyr Met
Asp Tyr Cys Glu
Asp Tyr Glu Cys
Asp Tyr Met Thr
Asp Tyr Thr Met
Glu Cys Asp Tyr
Glu Cys Phe Met
Glu Cys Met Phe
Glu Cys Tyr Asp
Glu Asp Cys Tyr
Glu Asp Glu His
Glu Asp His Glu
Glu Asp Tyr Cys
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
Glu Tyr Asp Cys
Glu Tyr Met Ser
Glu Tyr Ser Met
Phe Cys Glu Met
Phe Cys Met Glu
Phe Cys Pro Tyr
Phe Cys Tyr Pro
Phe Glu Cys Met
Phe Glu Met Cys
Phe Met Cys Glu
Phe Met Glu Cys
Phe Met Met Thr
Phe Met Thr Met
Phe Pro Cys Tyr
Phe Pro Tyr Cys
Phe Thr Met Met
Phe Tyr Cys Pro
Phe Tyr Pro Cys
His Asp Glu Glu
His Glu Asp Glu
His Glu Glu Asp
His Met Asn Gln
His Met Gln Asn
His Asn Met Gln
His Asn Gln Met
His Gln Met Asn
His Gln Asn Met
Ile Cys Met Tyr
Ile Cys Tyr Met
Ile Met Cys Tyr
Ile Met Tyr Cys
Ile Tyr Cys Met
Ile Tyr Met Cys
Leu Cys Met Tyr
Leu Cys Tyr Met
Leu Met Cys Tyr
Leu Met Tyr Cys
Leu Tyr Cys Met
Leu Tyr Met Cys
Met Cys Glu Phe
Met Cys Phe Glu
Met Cys Ile Tyr
Met Cys Leu Tyr
Met Cys Tyr Ile
Met Cys Tyr Leu
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 Phe Met Thr
Met Phe Thr Met
Met His Asn Gln
Met His Gln Asn
Met Ile Cys Tyr
Met Ile Tyr Cys
Met Leu Cys Tyr
Met Leu Tyr Cys
Met Met Phe Thr
Met Met Thr Phe
Met Asn His Gln
Met Asn Gln His
Met Gln His Asn
Met Gln Asn His
Met Ser Glu Tyr
Met Ser Tyr Glu
Met Thr Asp Tyr
Met Thr Phe Met
Met Thr Met Phe
Met Thr Tyr Asp
Met Tyr Cys Ile
Met Tyr Cys Leu
Met Tyr Asp Thr
Met Tyr Glu Ser
Met Tyr Ile Cys
Met Tyr Leu Cys
Met Tyr Ser Glu
Met Tyr Thr Asp
Asn His Met Gln
Asn His Gln Met
Asn Met His Gln
Asn Met Gln His
Asn Gln His Met
Asn Gln Met His
Pro Cys Phe Tyr
Pro Cys Tyr Phe
Pro Phe Cys Tyr
Pro Phe Tyr Cys
Pro Tyr Cys Phe
Pro Tyr Phe Cys
Gln His Met Asn
Gln His Asn Met
Gln Met His Asn
Gln Met Asn His
Gln Asn His Met
Gln Asn Met His
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 Phe Met Met
Thr Met Asp Tyr
Thr Met Phe Met
Thr Met Met Phe
Thr Met Tyr Asp
Thr Tyr Asp Met
Thr Tyr Met Asp
Tyr Cys Asp Glu
Tyr Cys Glu Asp
Tyr Cys Phe Pro
Tyr Cys Ile Met
Tyr Cys Leu Met
Tyr Cys Met Ile
Tyr Cys Met Leu
Tyr Cys Pro Phe
Tyr Asp Cys Glu
Tyr Asp Glu Cys
Tyr Asp Met Thr
Tyr Asp Thr Met
Tyr Glu Cys Asp
Tyr Glu Asp Cys
Tyr Glu Met Ser
Tyr Glu Ser Met
Tyr Phe Cys Pro
Tyr Phe Pro Cys
Tyr Ile Cys Met
Tyr Ile Met Cys
Tyr Leu Cys Met
Tyr Leu Met Cys
Tyr Met Cys Ile
Tyr Met Cys Leu
Tyr Met Asp Thr
Tyr Met Glu Ser
Tyr Met Ile Cys
Tyr Met Leu Cys
Tyr Met Ser Glu
Tyr Met Thr Asp
Tyr Pro Cys Phe
Tyr Pro Phe Cys
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)
Physalin L
Constituent of Physalis alkekengi (winter cherry). Physalin L is found in fruits.
Physalin O
16,17-Dihydro-16a,17-dihydroxygibberellin A4 17-glucoside
Fmoc-O-tert-Butyl-L-serine 3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl ester
benzene-1,3-diol,formaldehyde,3-phenylbenzene-1,2-diol,4-phenylbenzene-1,2,3-triol
dexamethasone acefurate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
L-Alanine, N-[(2R)-2-deoxy-2-fluoro-2-methyl-P-phenyl-5-cytidylyl]-,1-methylethyl ester
6-methoxy-3,3-bis(4-methoxyphenyl)benzo[h]indeno[2,1-f]chromen-13(3H)-one
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
Celesticetin A
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D055231 - Lincosamides
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
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
[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.
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
2,2,2-trifluoro-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-methylethanesulfonamide
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
2,2,2-trifluoro-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-methylethanesulfonamide
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
2,2,2-trifluoro-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-methylethanesulfonamide
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
(1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1-(1-oxo-2-phenylethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide
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
2,2,2-trifluoro-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-methylethanesulfonamide
2,2,2-trifluoro-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-methylethanesulfonamide
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
(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
(2R,7S,13R,14R,16S,19R,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-5,12,17-trioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.0(2),.0(2),(1).0(1),(1).0(1),(2)]docosan-11-yl acetate
[2-Propanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] propanoate
[1-Acetyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] butanoate
2-(1-(2,4-Dinitrophenylhydrazonomethyl)ethyl)-5-methylcyclopentanecarbaldehyde 2,4-dinitrophenylhydrazone
[(1S,2R,7S,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-5,12,17-trioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosan-11-yl] acetate
[7-(Acetyloxymethyl)-4,5-dihydroxy-3,11,11,14-tetramethyl-15-oxo-6-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] deca-2,4,6,8-tetraynoate
Estradiol 17beta-glucuronide 3-sulfate
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside
CID 10369659
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D055231 - Lincosamides
daunorubicin(1+)
An anthracycline cation that is the conjugate acid of daunorubicin, arising from protonation of the amino group.
LUT014
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].
Relenopride (hydrochloride)
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].
(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
6-hydroxy-2-methyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl 6-hydroxy-2,6-dimethylocta-2,7-dienoate
(2s)-n-[(1r,2r)-2-methoxy-1-[(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-{[2-(2-hydroxybenzoyloxy)ethyl]sulfanyl}oxan-2-yl]propyl]-1-methylpyrrolidine-2-carboximidic acid
(4ar,6s,7r,7as)-7-methyl-3-oxo-hexahydro-1h-cyclopenta[c]pyran-6-yl (4s,5s,6s)-5-ethenyl-4-(2-hydroxyethyl)-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
(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
(1r,2s,5r,8s,9r,12s,17r,18r,21s,24r,26s,27s)-5,12-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacos-14-ene-4,10,22,29-tetrone
(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
(1s,12s,18s,19r,20s)-19-ethenyl-18-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15-pentaene-12-carboxylic acid
(4s,11s,18s)-4,11,18-triisopropyl-7-methyl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),7,9,12(23),14,16,19(22)-nonaene-2,9,16-triol
methyl (1s,4as,7as)-7-[(1s)-1h,2h,3h,4h,9h-pyrido[3,4-b]indol-1-yl]-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylate
(1r,2r,7s,10s,12r,13s,14r,16s,19s,20s)-19-(furan-3-yl)-9,9,13,20-tetramethyl-5,11,17-trioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosan-12-yl acetate
(12r,13s,14r,16s)-19-(furan-3-yl)-9,9,13,20-tetramethyl-5,11,17-trioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosan-12-yl acetate
(1r,2r,4r,5r,7s,10r,11s,14r,17s,18r,19s,20s,22r,25s)-4,14-dihydroxy-10,17,20-trimethyl-16,23,27,28-tetraoxanonacyclo[16.9.1.1¹,¹⁹.0²,¹¹.0⁵,⁷.0⁵,¹⁰.0¹⁴,¹⁸.0¹⁷,²².0²⁰,²⁵]nonacosane-9,15,24,29-tetrone
(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
3-{2-hydroxy-5-[(1r)-3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-4-methoxyphenyl}-1-(4-hydroxyphenyl)propan-1-one
(1s,2s,3r,5r,6s,7r,14r,15s,18s,21s,22r,25s)-5,7,18-trihydroxy-1,14,21,25-tetramethyl-4,20,23-trioxaheptacyclo[20.3.1.1²,⁵.0³,¹⁸.0³,²¹.0⁶,¹⁵.0⁹,¹⁴]heptacosa-8,10-diene-13,19,24,27-tetrone
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"}