Exact Mass: 512.1444
Exact Mass Matches: 512.1444
Found 500 metabolites which its exact mass value is equals to given mass value 512.1444
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Temocapril hydrochloride
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol 2-O-(galloyl-glucoside)
3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol 2-O-(galloyl-glucoside) is found in herbs and spices. 3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol 2-O-(galloyl-glucoside) is a constituent of the fruit of allspice (Pimenta dioica) Constituent of the fruit of allspice (Pimenta dioica). 3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol 2-O-(galloyl-glucoside) is found in herbs and spices.
Picrosid II, HPLC Grade
Dehydrophthalocyanine
D011838 - Radiation-Sensitizing Agents
O-Benzylfluorescein benzyl ester
D004396 - Coloring Agents > D005456 - Fluorescent Dyes > D005452 - Fluoresceins
(2S)-2-[[4-[(2,4-Diaminopteridin-6-yl)methyl]-2,3-dihydro-1,4-benzothiazine-7-carbonyl]amino]hexanedioic acid
sialosyl-Tn saccharide
Ampicoside
Picroside II is a natural product found in Veronica pulvinaris, Veronica thomsonii, and other organisms with data available. Picroside II, an iridoid compound extracted from Picrorhiza, exhibits anti-inflammatory and anti-apoptotic activities. picroside II alleviates the inflammatory response in sepsis and enhances immune function by inhibiting the activation of NLRP3 inflammasome and NF-κB pathways[1]. Picroside II is an antioxidant, exhibits a significant neuroprotective effect through reducing ROS production and protects the blood-brain barrier (BBB) after cerebral ischemia-reperfusion (CI/R) injury. Picroside II has antioxidant, anti-inflammatory, immune regulatory, anti-virus and other pharmacological activities[2]. Picroside II, an iridoid compound extracted from Picrorhiza, exhibits anti-inflammatory and anti-apoptotic activities. picroside II alleviates the inflammatory response in sepsis and enhances immune function by inhibiting the activation of NLRP3 inflammasome and NF-κB pathways[1]. Picroside II is an antioxidant, exhibits a significant neuroprotective effect through reducing ROS production and protects the blood-brain barrier (BBB) after cerebral ischemia-reperfusion (CI/R) injury. Picroside II has antioxidant, anti-inflammatory, immune regulatory, anti-virus and other pharmacological activities[2].
Picroside
Picroside II is a natural product found in Veronica pulvinaris, Veronica thomsonii, and other organisms with data available. Picroside II, an iridoid compound extracted from Picrorhiza, exhibits anti-inflammatory and anti-apoptotic activities. picroside II alleviates the inflammatory response in sepsis and enhances immune function by inhibiting the activation of NLRP3 inflammasome and NF-κB pathways[1]. Picroside II is an antioxidant, exhibits a significant neuroprotective effect through reducing ROS production and protects the blood-brain barrier (BBB) after cerebral ischemia-reperfusion (CI/R) injury. Picroside II has antioxidant, anti-inflammatory, immune regulatory, anti-virus and other pharmacological activities[2]. Picroside II, an iridoid compound extracted from Picrorhiza, exhibits anti-inflammatory and anti-apoptotic activities. picroside II alleviates the inflammatory response in sepsis and enhances immune function by inhibiting the activation of NLRP3 inflammasome and NF-κB pathways[1]. Picroside II is an antioxidant, exhibits a significant neuroprotective effect through reducing ROS production and protects the blood-brain barrier (BBB) after cerebral ischemia-reperfusion (CI/R) injury. Picroside II has antioxidant, anti-inflammatory, immune regulatory, anti-virus and other pharmacological activities[2].
Picroside II
Picroside II, an iridoid compound extracted from Picrorhiza, exhibits anti-inflammatory and anti-apoptotic activities. picroside II alleviates the inflammatory response in sepsis and enhances immune function by inhibiting the activation of NLRP3 inflammasome and NF-κB pathways[1]. Picroside II is an antioxidant, exhibits a significant neuroprotective effect through reducing ROS production and protects the blood-brain barrier (BBB) after cerebral ischemia-reperfusion (CI/R) injury. Picroside II has antioxidant, anti-inflammatory, immune regulatory, anti-virus and other pharmacological activities[2]. Picroside II, an iridoid compound extracted from Picrorhiza, exhibits anti-inflammatory and anti-apoptotic activities. picroside II alleviates the inflammatory response in sepsis and enhances immune function by inhibiting the activation of NLRP3 inflammasome and NF-κB pathways[1]. Picroside II is an antioxidant, exhibits a significant neuroprotective effect through reducing ROS production and protects the blood-brain barrier (BBB) after cerebral ischemia-reperfusion (CI/R) injury. Picroside II has antioxidant, anti-inflammatory, immune regulatory, anti-virus and other pharmacological activities[2].
Alvaradoin H
A C-glycosyl compound that is 1,8-dihydroxy-3-methylanthracen-9(10H)-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.
Tuberculatin
Diphyllin apioside is a natural product found in Justicia patentiflora, Garcinia subelliptica, and other organisms with data available.
1-[2-[3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxyprop-1-en-2-yl]-2,3-dihydro-1-benzofuran-5-yl]ethanone
(1R*,2S*,4S*,4S*,6S*,7R*,8R*,9S*,10S*,11Z,14S*,17S*)-14-acetoxy-6-chloro-4,8-epoxy-9,17-dihydroxy-2-propionyloxybriara-5(16),11-dien-18-one
Di-Me ester-3,4-Dihydro-6-hydroxy-2-[5-hydroxy-4-carboxynaphtho[1,2-b]furan-2-yl]-2-methyl-2H-naphtho[1,2-b]pyran-5-carboxylic acid
6-(2,6-dihydroxy-4-methoxy-3-methyl-benzhydryl)-5,7-dihydroxy-8-methyl-2-phenyl-chroman-4-one|isomelanervin
(2RS,3RS)-2,3,4,5-tetrahydro-3-(3-hydroxy-5-methoxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)-10-methoxyphenanthro[2,1-b]furan-7-ol|phochinenin F
1-O-galloyl-6-O-(4-hydroxy-3,5-dimethoxy)benzoyl-beta-D-glucose|1-O-galloyl-6-O-(4-hydroxy-3,5-dimethoxybenzoyl)-beta-D-glucose
naphthalene-1,8-diol 1,8-bis(4-O-methyl-beta-glucopyranoside)|naphthalene-1,8-diyl bis(4-O-methyl-beta-glucopyranoside)
1-(3,4-dimethoxy-5-hydroxyphenyl)-6-(3,5-dimethoxygalloyl)-beta-D-glucopyranose|1-O-3,4-dimethoxy-5-hydroxyphenyl-6-O-(3,5-di-O-methylgalloyl)-beta-glucopyranoside|3,4-dimethoxy-5-hydroxyphenyl 6-O-(3,5-di-O-methylgalloyl)-beta-D-glucopyranoside
4-hydroxy-2,6-dimethoxyphenyl 6-O-syringoyl-beta-D-glucopyranoside
1beta,9alpha-di(3-furanoyloxy)-8beta-acetoxy-2-oxo-3-enedihydro-beta-agarofuran
2,2-dimethyl-2H-(8-hydroxy-6-acetyl)-[2,3-b]-pyran-8-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
3-chloro-10a-(3-chloro-6-hydroxy-2,2,6-trimethylcyclohexylmethyl)-6,8-dihydroxy-2,2,7-trimethyl-3,4,4a,10a-tetrahydro-2H-benzo[g]chromene-5,10-dione
4-{[4-hydroxy-4-hydroxymethyl-3-(4-hydroxyphenyl)ethynylbiphenyl-2-yl]-(4-hydroxyphenyl)methylene}-2,5-cyclohexadien-1-one|selaginellin
(+/-)-(1beta,2alpha,3beta,4alpha)-1,2-di-(2,4-dihydroxybenzoyl)-3,4-di-(4-hydroxyphenyl)cyclobutane|Dimeric 4,2,4-trihydroxydihydrochalcone
(-)-tuberculatin|(?)-4-[(D-apio-beta-D-furanosyl)oxy]-9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1H-naphtho[2,3-c]furan-3-one|diphyllin apioside|diphyllin-1-O-beta-D-apiofuranoside|tuberculatin
7-<6-(4-O-acetyl-alpha-L-rhamnopyranosyloxy)-beta-D-glucopyranosyloxy>coumarin|7-[6-(4-O-acetyl-alpha-L-rhamnopyranosyloxy)-beta-D-glucopyranosyloxy]coumarin
3-methoxyumbilicaric acid|3-Methoxyumilicaric acid
Ser Tyr Asp Glu
Glu Ser Tyr Asp
Ser Tyr Glu Asp
Peracetate Quercetin
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.197 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.201
C24H32O12_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,6-dihydroxy-7-methyl-, 2-(4-hydroxyphenyl)ethyl ester
C26H28N2O9_14H-Pyrano[3,4:6,7]indolizino[1,2-b]quinoline-11,14(3H)-dione, 4-ethenyl-3-(beta-D-glucopyranosyloxy)-4,4a,5,5a,6,12-hexahydro-, (3S,4R,4aS,5aS)
C23H28O13_(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl 4-hydroxy-3-methoxybenzoate
1-[2-[3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxyprop-1-en-2-yl]-2,3-dihydro-1-benzofuran-5-yl]ethanone_major
1-[2-[3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxyprop-1-en-2-yl]-2,3-dihydro-1-benzofuran-5-yl]ethanone_49.7\\%
1-[2-[3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxyprop-1-en-2-yl]-2,3-dihydro-1-benzofuran-5-yl]ethanone_88.5\\%
1-[2-[3-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxyprop-1-en-2-yl]-2,3-dihydro-1-benzofuran-5-yl]ethanone_47.5\\%
Ala Glu Met Tyr
Ala Glu Tyr Met
Ala Met Glu Tyr
Ala Met Tyr Glu
Ala Tyr Glu Met
Ala Tyr Met Glu
Cys Asp Glu Phe
Cys Asp Phe Glu
Cys Asp Ile Tyr
Cys Asp Leu Tyr
Cys Asp Tyr Ile
Cys Asp Tyr Leu
Cys Glu Asp Phe
Cys Glu Phe Asp
Cys Glu Met Met
Cys Glu Val Tyr
Cys Glu Tyr Val
Cys Phe Asp Glu
Cys Phe Glu Asp
Cys Ile Asp Tyr
Cys Ile Tyr Asp
Cys Leu Asp Tyr
Cys Leu Tyr Asp
Cys Met Glu Met
Cys Met Met Glu
Cys Met Pro Tyr
Cys Met Tyr Pro
Cys Asn Asn Tyr
Cys Asn Tyr Asn
Cys Pro Met Tyr
Cys Pro Tyr Met
Cys Val Glu Tyr
Cys Val Tyr Glu
Cys Tyr Asp Ile
Cys Tyr Asp Leu
Cys Tyr Glu Val
Cys Tyr Ile Asp
Cys Tyr Leu Asp
Cys Tyr Met Pro
Cys Tyr Asn Asn
Cys Tyr Pro Met
Cys Tyr Val Glu
Asp Cys Glu Phe
Asp Cys Phe Glu
Asp Cys Ile Tyr
Asp Cys Leu Tyr
Asp Cys Tyr Ile
Asp Cys Tyr Leu
Asp Asp Thr Tyr
Asp Asp Tyr Thr
Asp Glu Cys Phe
Asp Glu Phe Cys
Asp Glu Ser Tyr
Asp Glu Tyr Ser
Asp Phe Cys Glu
Asp Phe Glu Cys
Asp Phe Met Thr
Asp Phe Thr Met
Asp Ile Cys Tyr
Asp Ile Tyr Cys
Asp Leu Cys Tyr
Asp Leu Tyr Cys
Asp Met Phe Thr
Asp Met Thr Phe
Asp Ser Glu Tyr
Asp Ser Tyr Glu
Asp Thr Asp Tyr
Asp Thr Phe Met
Asp Thr Met Phe
Asp Thr Tyr Asp
Asp Tyr Cys Ile
Asp Tyr Cys Leu
Asp Tyr Asp Thr
Asp Tyr Glu Ser
Asp Tyr Ile Cys
Asp Tyr Leu Cys
Asp Tyr Ser Glu
Asp Tyr Thr Asp
Glu Ala Met Tyr
Glu Ala Tyr Met
Glu Cys Asp Phe
Glu Cys Phe Asp
Glu Cys Met Met
Glu Cys Val Tyr
Glu Cys Tyr Val
Glu Asp Cys Phe
Glu Asp Phe Cys
Glu Asp Ser Tyr
Glu Asp Tyr Ser
Glu Phe Cys Asp
Glu Phe Asp Cys
Glu Phe Met Ser
Glu Phe Ser Met
Glu Met Ala Tyr
Glu Met Cys Met
Glu Met Phe Ser
Glu Met Met Cys
Glu Met Ser Phe
Glu Met Tyr Ala
Glu Ser Asp Tyr
Glu Ser Phe Met
Glu Ser Met Phe
Glu Val Cys Tyr
Glu Val Tyr Cys
Glu Tyr Ala Met
Glu Tyr Cys Val
Glu Tyr Asp Ser
Glu Tyr Met Ala
Glu Tyr Ser Asp
Glu Tyr Val Cys
Phe Cys Asp Glu
Phe Cys Glu Asp
Phe Asp Cys Glu
Phe Asp Glu Cys
Phe Asp Met Thr
Phe Asp Thr Met
Phe Glu Cys Asp
Phe Glu Asp Cys
Phe Glu Met Ser
Phe Glu Ser Met
Phe Met Asp Thr
Phe Met Glu Ser
Phe Met Ser Glu
Phe Met Thr Asp
Phe Ser Glu Met
Phe Ser Met Glu
Phe Thr Asp Met
Phe Thr Met Asp
Ile Cys Asp Tyr
Ile Cys Tyr Asp
Ile Asp Cys Tyr
Ile Asp Tyr Cys
Ile Tyr Cys Asp
Ile Tyr Asp Cys
Leu Cys Asp Tyr
Leu Cys Tyr Asp
Leu Asp Cys Tyr
Leu Asp Tyr Cys
Leu Tyr Cys Asp
Leu Tyr Asp Cys
Met Ala Glu Tyr
Met Ala Tyr Glu
Met Cys Glu Met
Met Cys Met Glu
Met Cys Pro Tyr
Met Cys Tyr Pro
Met Asp Phe Thr
Met Asp Thr Phe
Met Glu Ala Tyr
Met Glu Cys Met
Met Glu Phe Ser
Met Glu Met Cys
Met Glu Ser Phe
Met Glu Tyr Ala
Met Phe Asp Thr
Met Phe Glu Ser
Met Phe Ser Glu
Met Phe Thr Asp
Met Met Cys Glu
Met Met Glu Cys
Met Met Met Thr
Met Met Thr Met
Met Pro Cys Tyr
Met Pro Tyr Cys
Met Ser Glu Phe
Met Ser Phe Glu
Met Thr Asp Phe
Met Thr Phe Asp
Met Thr Met Met
Met Tyr Ala Glu
Met Tyr Cys Pro
Met Tyr Glu Ala
Met Tyr Pro Cys
Asn Cys Asn Tyr
Asn Cys Tyr Asn
Asn Asn Cys Tyr
Asn Asn Tyr Cys
Asn Tyr Cys Asn
Asn Tyr Asn Cys
Pro Cys Met Tyr
Pro Cys Tyr Met
Pro Met Cys Tyr
Pro Met Tyr Cys
Pro Tyr Cys Met
Pro Tyr Met Cys
Ser Asp Glu Tyr
Ser Asp Tyr Glu
Ser Glu Asp Tyr
Ser Glu Phe Met
Ser Glu Met Phe
Ser Glu Tyr Asp
Ser Phe Glu Met
Ser Phe Met Glu
Ser Met Glu Phe
Ser Met Phe Glu
Thr Asp Asp Tyr
Thr Asp Tyr Asp
Thr Met Met Met
Thr Tyr Asp Asp
Tyr Cys Met Pro
Tyr Cys Asn Asn
Tyr Cys Pro Met
Tyr Asp Asp Thr
Tyr Asp Glu Ser
Tyr Asp Ser Glu
Tyr Asp Thr Asp
Tyr Glu Asp Ser
Tyr Glu Ser Asp
Tyr Met Cys Pro
Tyr Met Pro Cys
Tyr Asn Cys Asn
Tyr Asn Asn Cys
Tyr Pro Cys Met
Tyr Pro Met Cys
Tyr Ser Asp Glu
Tyr Ser Glu Asp
Tyr Thr Asp Asp
10S,11R-epoxy-punaglandin 3
6,6-Dimethylpyraono[2,3:7,8]kaempferol 4-methyl ether 3-rhamnoside
3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol 2-O-(galloyl-glucoside)
BMS-777607
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164000 - c-Met-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
1,1-diethyl-3,3,3,3-tetramethylindocarbocyanine iodide
α-D-Galactopyranose, 2-(acetylamino)-6-O-(N-acetyl-β-neuraminosyl)-2-deoxy
9,10-Anthracenedione,2,2-(1,3,4-oxadiazole-2,5-diyl)bis[1-amino-
2-CHLORO-N-(2-(PYRIDIN-3-YLAMINO)PYRIMIDIN-5-YL)-5-(3-(TRIFLUOROMETHYL)BENZAMIDO)BENZAMIDE
BIS(3-ISOPROPYL-4-METHOXYPHENYL)IODONIUM TETRAFLUOROBORATE
2,2-methylenebis[6-(o-isocyanatobenzyl)phenyl] diisocyanate
[(2R,5R)-3-acetyloxy-5-[[5-cyano-6-(4-methylphenyl)sulfanylpyridine-3-carbonyl]carbamoylamino]oxolan-2-yl]methyl acetate
Trovafloxacin Mesylate
A methanesulfonate (mesylate) salt prepared from equimolar amounts of trovafloxacin and methanesulfonic acid. A broad-spectrum antibiotic that was withdrawn from the market due to risk of liver failure. D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
(4bS,6aS,7S,9aS,9bS)-N-[2,5-Bis(trifluoromethyl)phenyl]-6a-methyl-2-oxo-2,4b,5,6,6a,7,8,9,9a,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide
(E)-2-Methyl-4-(4-(2-Methyl-5,10-dihydro-4H-benzo[b]thieno[2,3-e][1,4]diazepin-4-yl)piperazin-1-yl)-10H-benzo[b]thieno[2,3-e][1,4]diazepine
1-O-3,4-dimethoxy-5-hydroxyphenyl-(6-O-3,5-dimethoxygalloyl)-beta-D-glucopyranoside
A beta-D-glucoside compound having 4,5-dimethoxybenzene-1,3-diol as the anomeric and 4-hydroxy-3,5-dimethoxybenzoic acid as the substituent at position 6. It has been isolated from the stems of Gordonia chrysandra and exhibits inhibitory effect on nitric oxide production.
3-ethenyl-4-(9H-pyrido[3,4-b]indol-1-ylmethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
19-Ethenyl-18-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-2(11),4,6,8,15-pentaene-10,14-dione
Benzoic acid, 3,5-dichloro-2,4-dihydroxy-6-pentyl-, 4-carboxy-3-methoxy-5-pentylphenyl ester
[(2R,3S,4S)-5-[4-[[(1R)-1-[(7S)-2-amino-7-methyl-4-oxo-7,8-dihydro-3H-pteridin-6-yl]ethyl]amino]phenyl]-2,3,4-trihydroxypentyl] dihydrogen phosphate
(E)-7-[3-[(E)-3-hydroxy-4-(4-iodophenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
alvaradoin G
A C-glycosyl compound that is 1,8-dihydroxy-3-methylanthracen-9(10H)-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.
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide
2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
N-acetyl-beta-neuraminyl-(2->6)-N-acetyl-alpha-D-galactosamine
An amino disaccharide composed of N-acetylneuraminic acid and N-acetyl-alpha-D-galactosamine residues linked (2->6).
5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosylonic acid-(2->6)-2-acetamido-2-deoxy-D-galacto-hexopyranose
5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosylonic acid-(2->6)-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose
3,4,5-trihydroxy-6-[5-methoxy-2,2-dimethyl-6-[(E)-3-oxo-3-phenylprop-1-enyl]chromen-7-yl]oxyoxane-2-carboxylic acid
[(2->6)-alpha-D-glucosyl-(1->4)-N,O(9)-diacetyl-alpha-D-neuraminosyl]n
(2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
3,4,5-trihydroxy-6-[4-[(E)-3-(5-methoxy-2,2-dimethylchromen-6-yl)prop-2-enoyl]phenoxy]oxane-2-carboxylic acid
[(2->6)-alpha-D-glucosyl-(1->4)-N,O(7)-diacetyl-alpha-D-neuraminosyl]n
(2S,3R,4R)-3-ethenyl-4-(9H-pyrido[3,4-b]indol-1-ylmethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
N-acetyl-alpha-neuraminyl-(2->6)-N-acetyl-alpha-D-galactosamine
An amino disaccharide composed of N-acetylneuraminic acid and 2-(acetylamino)-2-deoxy-alpha-D-galactopyranose residues in (alpha-2->6) linkage.
bPiDDB
bPiDDB is a potent nAChR antagonist. bPiDDB potently (IC50=2 nM) inhibits nicotine-evoked striatal dopamine (DA) release through an interaction with α6β2-containing nAChRs[1].
PLX7904
PLX7904 is a potent and selective BRAF inhibitor, with IC50 of appr 5 nM against BRAFV600E in mutant RAS expressing cells.
(2s,3s)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-9,12-dimethoxy-2,3-dihydro-1,4,5-trioxatetraphen-10-one
methyl (1's,9'r)-3',5',11',13'-tetrahydroxy-9'-(4-hydroxyphenyl)-4,8'-dioxospiro[cyclohexane-1,16'-tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadecan]-2,2',4',5,6',10',12',14'-octaene-1'-carboxylate
methyl 5'-(furan-3-carbonyl)-1',5',8'-trimethyl-5,9'-dioxo-3a-(prop-1-en-2-yl)-6,6a-dihydro-3h-10',11'-dioxaspiro[furo[3,2-b]furan-2,7'-tricyclo[4.4.1.0²,⁸]undecan]-3'-ene-6'-carboxylate
n-[(2r,3s,6s,7r,8r)-7-(benzoyloxy)-8-ethyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
15-(acetyloxy)-6-chloro-9-hydroxy-2,11,15-trimethyl-7-methylidene-3,14-dioxo-4,18-dioxatetracyclo[8.7.1.0¹,⁵.0¹¹,¹⁶]octadec-12-en-17-yl 2-hydroxyacetate
11,24-dihydroxy-7,9,20,22-tetramethyl-8,16,21,30-tetraoxaoctacyclo[15.11.1.1⁴,²⁸.0²,¹⁵.0³,¹².0⁵,¹⁰.0¹⁸,²³.0²⁵,²⁹]triaconta-1,3,5(10),11,14,17(29),18(23),24,27-nonaene-13,26-dione
(17s,18s)-18-[(2s)-4-(2,6-dihydroxyphenyl)-4-oxobutan-2-yl]-3,11,15-trihydroxy-17-methyl-8-oxapentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1(19),2,4,6,9,11,14,16(20)-octaen-13-one
(6s,9's)-1,1',4',5',6,9-hexahydroxy-2',6-dimethyl-5,7-dihydro-9'h-[2,9'-bianthracene]-8,10'-dione
9,10-bis(4-hydroxy-2-methoxyphenyl)-7-methyl-8,9,9a,10-tetrahydro-5bh-1,11-dioxatetraphen-2-one
23-(2,6-dihydroxyphenyl)-4,6,14-trihydroxy-18,20-dimethyl-9-oxapentacyclo[17.3.1.0⁵,²².0⁸,²¹.0¹⁰,¹⁵]tricosa-1(23),3,5,7,10,12,14,21-octaene-2,16-dione
2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl 3-hydroxy-4-methoxybenzoate
methyl (2s)-6-hydroxy-2-[5-hydroxy-4-(methoxycarbonyl)naphtho[1,2-b]furan-2-yl]-2-methyl-3h,4h-naphtho[1,2-b]pyran-5-carboxylate
(1r,6s)-2-(hydroxymethyl)-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl 4-hydroxy-3-methoxybenzoate
2-(hydroxymethyl)-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl 4-hydroxy-3-methoxybenzoate
3-[(2s,3s)-3-(2,4-dihydroxybenzoyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-1-(2,4-dihydroxyphenyl)propan-1-one
[(1s,2s,4s,5s,6r,10s)-5-hydroxy-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl]methyl 4-hydroxy-3-methoxybenzoate
methyl 3',5',11',13'-tetrahydroxy-9'-(4-hydroxyphenyl)-4,8'-dioxospiro[cyclohexane-1,16'-tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadecan]-2,2',4',5,6',10',12',14'-octaene-1'-carboxylate
4,4'-dimethoxy-9,10-dihydro-[1,1'-biphenanthrene]-2,2',7,7',8,8'-hexol
3,4-dihydro-6-hydroxy-2-[5-hydroxy-4-carboxynaphtho[1,2-b]furan-2-yl]-2-methyl-2h-naphtho[1,2-b]pyran-5-carboxylic acid,9ci; di-me ester
{"Ingredient_id": "HBIN007362","Ingredient_name": "3,4-dihydro-6-hydroxy-2-[5-hydroxy-4-carboxynaphtho[1,2-b]furan-2-yl]-2-methyl-2h-naphtho[1,2-b]pyran-5-carboxylic acid,9ci; di-me ester","Alias": "NA","Ingredient_formula": "C30H24O8","Ingredient_Smile": "NA","Ingredient_weight": "512.51","OB_score": "NA","CAS_id": "154706-43-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8290","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-(3,4-dimethoxybenzoyl)-ajugol
{"Ingredient_id": "HBIN012580","Ingredient_name": "6-o-(3,4-dimethoxybenzoyl)-ajugol","Alias": "NA","Ingredient_formula": "C24H32O12","Ingredient_Smile": "CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C4=CC(=C(C=C4)OC)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6204","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6'-o-vanilloyl catalpol
{"Ingredient_id": "HBIN012726","Ingredient_name": "6'-o-vanilloyl catalpol","Alias": "NA","Ingredient_formula": "C23H28O13","Ingredient_Smile": "COC1=C(C=CC(=C1)C(=O)OCC23C4C(C=COC4OC5C(C(C(C(O5)CO)O)O)O)C(C2O3)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "22325","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
acuminatin ii*
{"Ingredient_id": "HBIN014650","Ingredient_name": "acuminatin ii*","Alias": "NA","Ingredient_formula": "C27H28O10","Ingredient_Smile": "CC1C(C(C(C(O1)OC2=C(OC3=C4C=CC(OC4=CC(=C3C2=O)O)(C)C)C5=CC=C(C=C5)OC)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "593","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
amphicoside
{"Ingredient_id": "HBIN015907","Ingredient_name": "amphicoside","Alias": "NA","Ingredient_formula": "C23H28O13","Ingredient_Smile": "COC1=C(C=CC(=C1)C(=O)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O","Ingredient_weight": "512.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1082","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101306913","DrugBank_id": "NA"}