Exact Mass: 540.2220032
Exact Mass Matches: 540.2220032
Found 500 metabolites which its exact mass value is equals to given mass value 540.2220032
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Sambacin
Sambacin is found in herbs and spices. Sambacin is isolated from Jasminum sambac (Arabian jasmine).
Atorvastatin lactone
Cyclo[(2Z)-2-amino-2-butenoyl-L-valyl-(3S,4E)-3-hydroxy-7-mercapto-4-heptenoyl-D-valyl-D-cysteinyl],cyclic (3®5)-disulfide
Methyl 1-(3,4-dimethoxyphenyl)-3-(3-ethyl-1-oxopentyl)-4-hydroxy-6,7,8-trimethoxy-2-naphthalenecarboxylate
pilosanol A
2alpha-senecioyloxy-3alpha-angeloyloxy-3,4-betaH-bacchotricuneatin
(1S,2R)-1-[4-beta-D-glucopyranosyloxy-3-methoxyphenyl]-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol|(7S,8R)-7,9,9-trihydroxy-3,3-dimethoxy-8-O-4-neolignan-4-O-beta-D-glucopyranoside|(7S,8R)-erythro-7,9,9-tirhydroxy-3,3-dimethoxy-8-O-4-neolignan-4-O-beta-D-glucopyranoside
Romidepsin
A cyclodepsipeptide consisting of the cyclic disulfide of (2Z)-2-aminobut-2-enoyl, L-valyl, (3S,4E)-3-hydroxy-7-sulfanylhept-4-enoyl, D-valyl and D-cysteinyl residues coupled in sequence and cyclised head-to tail. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XH - Histone deacetylase (hdac) inhibitors C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D000970 - Antineoplastic Agents
1-C-{2-[(benzoyloxy)methyl]-4-methylphenyl}-[1-deoxy-6-O-(3,4-dimethoxyphenyl)-beta-D-glucopyranoside]|symploveroside
(1S,5R,6R,9R)-5,12-epoxy-megastigman-3-on-9-ol 9-O-[6-O-galloyl]-beta-D-glucopyranoside|(9R)-megastigman-3-on-5,11-epoxy-9-ol 9-O-(6-O-galloyl)-beta-D-glucopyranoside|macarangioside C
(6S,9R)-megastigman-4-en-3-one-6,9-diol 9-O-(6-O-galloyl)-beta-D-glucopyranoside|macarangioside A
7-hydroxy-9-beta-glucopyranosyloxylsecoisolariciresinol|cinnacassoside A
7-hydroxy-9-beta-glucopyranosyloxy secoisolariciresinol
11beta,12alpha-diacetoxy-14beta,15beta-epoxyneotecleanin|11??,12??-Diacetoxy-14??,15??-epoxyneotecleanin|zumsin
7S,8S-4,9,9-trihydroxy-3,3-dimethoxy-8-O-4-neolignan-7-O-beta-D-glucopyranoside|8-O-4-neolignan-7-O-beta-glucopyranoside
1-(4-hydroxymethyl-3-methoxyphenyl)-2-<4-(3-beta-D-glucopyranosyloxypropyl)-2-methoxyphenoxy>-1,3-propanediol|1-(4-hydroxymethyl-3-methoxyphenyl)-2-[4-(3-beta-D-glucopyranosyloxypropyl)-2-methoxyphenoxy]-1,3-propanediol
2alpha-angeloyloxy-3alpha-senecioyloxy-3,4-betaH-bacchotricuneatin
Glu Thr Tyr Glu
Nimbin_(chemical)
Nimbin is a limonoid found in Azadirachta indica. It has a role as a plant metabolite and a pesticide. It is an acetate ester, a limonoid, a member of furans, a cyclic terpene ketone, an enone, a tetracyclic triterpenoid and a methyl ester. Nimbin is a natural product found in Azadirachta indica with data available. A limonoid found in Azadirachta indica.
2-[3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
C30H36O9_2H-Cyclopenta[b]naphtho[2,3-d]furan-10-acetic acid, 5-(acetyloxy)-2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-6-(methoxycarbonyl)-1,6,9a,10a-tetramethyl-9-oxo-, methyl ester, (2R,3aR,4aS,5R,6R,9aR,10S,10aR)
methyl (1S,2R,4R,8R,9S,10R,13R,15R)-2-(acetyloxy)-13-(furan-3-yl)-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-5,11-diene-4-carboxylate
2-[3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based: Match]
2-[3-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol [IIN-based on: CCMSLIB00000849029]
methyl (1S,2R,4R,8R,9S,10R,13R,15R)-2-(acetyloxy)-13-(furan-3-yl)-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-5,11-diene-4-carboxylate_major
methyl (1S,2R,4R,8R,9S,10R,13R,15R)-2-(acetyloxy)-13-(furan-3-yl)-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.0³,?.0¹¹,¹?]hexadeca-5,11-diene-4-carboxylate
Ala His Gln Trp
C25H32N8O6 (540.2444691999999)
Ala His Trp Gln
C25H32N8O6 (540.2444691999999)
Ala Gln His Trp
C25H32N8O6 (540.2444691999999)
Ala Gln Trp His
C25H32N8O6 (540.2444691999999)
Ala Trp His Gln
C25H32N8O6 (540.2444691999999)
Ala Trp Gln His
C25H32N8O6 (540.2444691999999)
Cys Lys Gln Tyr
Cys Lys Tyr Gln
Cys Gln Lys Tyr
Cys Gln Gln Tyr
Cys Gln Tyr Lys
Cys Gln Tyr Gln
Cys Tyr Lys Gln
Cys Tyr Gln Lys
Cys Tyr Gln Gln
Asp Phe Pro Tyr
Asp Phe Tyr Pro
Asp His Asn Arg
C20H32N10O8 (540.2404472000001)
Asp His Arg Asn
C20H32N10O8 (540.2404472000001)
Asp Ile Met Tyr
Asp Ile Tyr Met
Asp Leu Met Tyr
Asp Leu Tyr Met
Asp Met Ile Tyr
Asp Met Leu Tyr
Asp Met Tyr Ile
Asp Met Tyr Leu
Asp Asn His Arg
C20H32N10O8 (540.2404472000001)
Asp Asn Arg His
C20H32N10O8 (540.2404472000001)
Asp Pro Phe Tyr
Asp Pro Tyr Phe
Asp Arg His Asn
C20H32N10O8 (540.2404472000001)
Asp Arg Asn His
C20H32N10O8 (540.2404472000001)
Asp Tyr Phe Pro
Asp Tyr Ile Met
Asp Tyr Leu Met
Asp Tyr Met Ile
Asp Tyr Met Leu
Asp Tyr Pro Phe
Glu Glu Thr Tyr
Glu Glu Tyr Thr
Glu His Gln Gln
Glu Met Val Tyr
Glu Met Tyr Val
Glu Gln His Gln
Glu Gln Gln His
Glu Thr Glu Tyr
Glu Val Met Tyr
Glu Val Tyr Met
Glu Tyr Glu Thr
Glu Tyr Met Val
Glu Tyr Thr Glu
Glu Tyr Val Met
Phe Asp Pro Tyr
Phe Asp Tyr Pro
Phe Phe Met Pro
Phe Phe Asn Asn
Phe Phe Pro Met
Phe His His Thr
C25H32N8O6 (540.2444691999999)
Phe His Thr His
C25H32N8O6 (540.2444691999999)
Phe Ile Met Met
Phe Leu Met Met
Phe Met Phe Pro
Phe Met Ile Met
Phe Met Leu Met
Phe Met Met Ile
Phe Met Met Leu
Phe Met Pro Phe
Phe Asn Phe Asn
Phe Asn Asn Phe
Phe Pro Asp Tyr
Phe Pro Phe Met
Phe Pro Met Phe
Phe Pro Tyr Asp
Phe Thr His His
C25H32N8O6 (540.2444691999999)
Phe Tyr Asp Pro
Phe Tyr Pro Asp
His Ala Gln Trp
C25H32N8O6 (540.2444691999999)
His Ala Trp Gln
C25H32N8O6 (540.2444691999999)
His Asp Asn Arg
C20H32N10O8 (540.2404472000001)
His Asp Arg Asn
C20H32N10O8 (540.2404472000001)
His Glu Gln Gln
His Phe His Thr
C25H32N8O6 (540.2444691999999)
His Phe Thr His
C25H32N8O6 (540.2444691999999)
His His Phe Thr
C25H32N8O6 (540.2444691999999)
His His Thr Phe
C25H32N8O6 (540.2444691999999)
His Asn Asp Arg
C20H32N10O8 (540.2404472000001)
His Asn Arg Asp
C20H32N10O8 (540.2404472000001)
His Gln Ala Trp
C25H32N8O6 (540.2444691999999)
His Gln Glu Gln
His Gln Gln Glu
His Gln Trp Ala
C25H32N8O6 (540.2444691999999)
His Arg Asp Asn
C20H32N10O8 (540.2404472000001)
His Arg Asn Asp
C20H32N10O8 (540.2404472000001)
His Thr Phe His
C25H32N8O6 (540.2444691999999)
His Thr His Phe
C25H32N8O6 (540.2444691999999)
His Trp Ala Gln
C25H32N8O6 (540.2444691999999)
His Trp Gln Ala
C25H32N8O6 (540.2444691999999)
Ile Asp Met Tyr
Ile Asp Tyr Met
Ile Phe Met Met
Ile Met Asp Tyr
Ile Met Phe Met
Ile Met Met Phe
Ile Met Tyr Asp
Ile Tyr Asp Met
Ile Tyr Met Asp
Lys Cys Gln Tyr
Lys Cys Tyr Gln
Lys Gln Cys Tyr
Lys Gln Tyr Cys
Lys Tyr Cys Gln
Lys Tyr Gln Cys
Leu Asp Met Tyr
Leu Asp Tyr Met
Leu Phe Met Met
Leu Met Asp Tyr
Leu Met Phe Met
Leu Met Met Phe
Leu Met Tyr Asp
Leu Tyr Asp Met
Leu Tyr Met Asp
Met Asp Ile Tyr
Met Asp Leu Tyr
Met Asp Tyr Ile
Met Asp Tyr Leu
Met Glu Val Tyr
Met Glu Tyr Val
Met Phe Phe Pro
Met Phe Ile Met
Met Phe Leu Met
Met Phe Met Ile
Met Phe Met Leu
Met Phe Pro Phe
Met Ile Asp Tyr
Met Ile Phe Met
Met Ile Met Phe
Met Ile Tyr Asp
Met Leu Asp Tyr
Met Leu Phe Met
Met Leu Met Phe
Met Leu Tyr Asp
Met Met Phe Ile
Met Met Phe Leu
Met Met Ile Phe
Met Met Leu Phe
Met Met Pro Tyr
Met Met Tyr Pro
Met Asn Asn Tyr
Met Asn Tyr Asn
Met Pro Phe Phe
Met Pro Met Tyr
Met Pro Tyr Met
Met Val Glu Tyr
Met Val Tyr Glu
Met Tyr Asp Ile
Met Tyr Asp Leu
Met Tyr Glu Val
Met Tyr Ile Asp
Met Tyr Leu Asp
Met Tyr Met Pro
Met Tyr Asn Asn
Met Tyr Pro Met
Met Tyr Val Glu
Asn Asp His Arg
C20H32N10O8 (540.2404472000001)
Asn Asp Arg His
C20H32N10O8 (540.2404472000001)
Asn Phe Phe Asn
Asn Phe Asn Phe
Asn His Asp Arg
C20H32N10O8 (540.2404472000001)
Asn His Arg Asp
C20H32N10O8 (540.2404472000001)
Asn Met Asn Tyr
Asn Met Tyr Asn
Asn Asn Phe Phe
Asn Asn Met Tyr
Asn Asn Tyr Met
Asn Arg Asp His
C20H32N10O8 (540.2404472000001)
Asn Arg His Asp
C20H32N10O8 (540.2404472000001)
Asn Tyr Met Asn
Asn Tyr Asn Met
Pro Asp Phe Tyr
Pro Asp Tyr Phe
Pro Phe Asp Tyr
Pro Phe Phe Met
Pro Phe Met Phe
Pro Phe Tyr Asp
Pro Met Phe Phe
Pro Met Met Tyr
Pro Met Tyr Met
Pro Tyr Asp Phe
Pro Tyr Phe Asp
Pro Tyr Met Met
Gln Ala His Trp
C25H32N8O6 (540.2444691999999)
Gln Ala Trp His
C25H32N8O6 (540.2444691999999)
Gln Cys Lys Tyr
Gln Cys Gln Tyr
Gln Cys Tyr Lys
Gln Cys Tyr Gln
Gln Glu His Gln
Gln Glu Gln His
Gln His Ala Trp
C25H32N8O6 (540.2444691999999)
Gln His Glu Gln
Gln His Gln Glu
Gln His Trp Ala
C25H32N8O6 (540.2444691999999)
Gln Lys Cys Tyr
Gln Lys Tyr Cys
Gln Gln Cys Tyr
Gln Gln Glu His
Gln Gln His Glu
Gln Gln Tyr Cys
Gln Trp Ala His
C25H32N8O6 (540.2444691999999)
Gln Trp His Ala
C25H32N8O6 (540.2444691999999)
Gln Tyr Cys Lys
Gln Tyr Cys Gln
Gln Tyr Lys Cys
Gln Tyr Gln Cys
Arg Asp His Asn
C20H32N10O8 (540.2404472000001)
Arg Asp Asn His
C20H32N10O8 (540.2404472000001)
Arg His Asp Asn
C20H32N10O8 (540.2404472000001)
Arg His Asn Asp
C20H32N10O8 (540.2404472000001)
Arg Asn Asp His
C20H32N10O8 (540.2404472000001)
Arg Asn His Asp
C20H32N10O8 (540.2404472000001)
Thr Glu Glu Tyr
Thr Glu Tyr Glu
Thr Phe His His
C25H32N8O6 (540.2444691999999)
Thr His Phe His
C25H32N8O6 (540.2444691999999)
Thr His His Phe
C25H32N8O6 (540.2444691999999)
Thr Tyr Glu Glu
Val Glu Met Tyr
Val Glu Tyr Met
Val Met Glu Tyr
Val Met Tyr Glu
Val Tyr Glu Met
Val Tyr Met Glu
Trp Ala His Gln
C25H32N8O6 (540.2444691999999)
Trp Ala Gln His
C25H32N8O6 (540.2444691999999)
Trp His Ala Gln
C25H32N8O6 (540.2444691999999)
Trp His Gln Ala
C25H32N8O6 (540.2444691999999)
Trp Gln Ala His
C25H32N8O6 (540.2444691999999)
Trp Gln His Ala
C25H32N8O6 (540.2444691999999)
Tyr Cys Lys Gln
Tyr Cys Gln Lys
Tyr Cys Gln Gln
Tyr Asp Phe Pro
Tyr Asp Ile Met
Tyr Asp Leu Met
Tyr Asp Met Ile
Tyr Asp Met Leu
Tyr Asp Pro Phe
Tyr Glu Glu Thr
Tyr Glu Met Val
Tyr Glu Thr Glu
Tyr Glu Val Met
Tyr Phe Asp Pro
Tyr Phe Pro Asp
Tyr Ile Asp Met
Tyr Ile Met Asp
Tyr Lys Cys Gln
Tyr Lys Gln Cys
Tyr Leu Asp Met
Tyr Leu Met Asp
Tyr Met Asp Ile
Tyr Met Asp Leu
Tyr Met Glu Val
Tyr Met Ile Asp
Tyr Met Leu Asp
Tyr Met Met Pro
Tyr Met Asn Asn
Tyr Met Pro Met
Tyr Met Val Glu
Tyr Asn Met Asn
Tyr Asn Asn Met
Tyr Pro Asp Phe
Tyr Pro Phe Asp
Tyr Pro Met Met
Tyr Gln Cys Lys
Tyr Gln Cys Gln
Tyr Gln Lys Cys
Tyr Gln Gln Cys
Tyr Thr Glu Glu
Tyr Val Glu Met
Tyr Val Met Glu
12R-acetoxy-punaglandin 4
12R-acetoxy-7Z-punaglandin 4
12S-acetoxy-punaglandin 5
Sambacin
12R-acetoxy-punaglandin 4
12R-acetoxy-7Z-punaglandin 4
12S-acetoxy-punaglandin 5
Atorvastatin lactone
Atorvastatin lactone is a proagent form of atorvastatin. Atorvastatin is an orally active 3-hydroxy-3-methylglutaryl coenzyme A (HMG-CoA) reductase inhibitor[1].
Acofide trihydrate
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D005765 - Gastrointestinal Agents D004791 - Enzyme Inhibitors
1,1-DIPROPYL-3,3,3,3-TETRAMETHYLINDOCARBOCYANINE IODIDE
4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,5-ditert-butylphenoxy]-3-(trifluoromethyl)aniline
N-[(1S)-1-[[[(4R,7S)-Hexahydro-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-1H-azepin-4-yl]amino]carbonyl]-3-methylbutyl]-2-benzofurancarboxamide
Relacatib
C471 - Enzyme Inhibitor > C783 - Protease Inhibitor COVID info from Guide to PHARMACOLOGY Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Methyl 1-(3,4-dimethoxyphenyl)-3-(3-ethyl-1-oxopentyl)-4-hydroxy-6,7,8-trimethoxy-2-naphthalenecarboxylate
2-[3-[4-[1,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Cyclo[(2Z)-2-amino-2-butenoyl-L-valyl-(3S,4E)-3-hydroxy-7-mercapto-4-heptenoyl-D-valyl-D-cysteinyl],cyclic (3 not not(R)ao radicalu5)-disulfide
5-(2-hydroxy-5-methylbenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide
(4S,5S)-5-[2-(azidomethyl)phenyl]-4-[[2-(azidomethyl)phenyl]methyl]-2-[4-(3-hydroxypropoxy)phenyl]-5H-oxazole-4-carboxamide
3-fluoro-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-methylbenzenesulfonamide
3-fluoro-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-methylbenzenesulfonamide
3-fluoro-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-methylbenzenesulfonamide
3-fluoro-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-methylbenzenesulfonamide
2-fluoro-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-methylbenzenesulfonamide
2-fluoro-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-methylbenzenesulfonamide
2-fluoro-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-methylbenzenesulfonamide
2-fluoro-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-methylbenzenesulfonamide
2-fluoro-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-methylbenzenesulfonamide
4-fluoro-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-methylbenzenesulfonamide
4-fluoro-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-methylbenzenesulfonamide
3-fluoro-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-methylbenzenesulfonamide
4-fluoro-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-methylbenzenesulfonamide
4-fluoro-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-methylbenzenesulfonamide
2-fluoro-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-methylbenzenesulfonamide
(1R)-1-(benzenesulfonyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]carboxamide
3-fluoro-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-methylbenzenesulfonamide
3-fluoro-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-methylbenzenesulfonamide
4-fluoro-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-methylbenzenesulfonamide
4-fluoro-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-methylbenzenesulfonamide
4-fluoro-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-methylbenzenesulfonamide
2-fluoro-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-methylbenzenesulfonamide
(1S)-1-(benzenesulfonyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]carboxamide
(1R,8E,9Z,14S,15S,17R)-8-ethylidene-15-[(2R)-1-hydroxypropan-2-yl]-17-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,12-trioxatricyclo[12.2.1.04,9]heptadeca-4,9-diene-3,11-dione
20-carboxy-leukotriene B4-(beta-D-glucuronide)(2-)
C26H36O12-2 (540.2206656000001)
20-hydroxy-20-oxoleukotriene B4-20-(beta-D-glucuronide)(2-)
A leukotriene anion obtained by deprotonation of the carboxylic acid functions of 20-hydroxy-20-oxoleukotriene B4-20-(beta-D-glucuronide); major species at pH 7.3.
Velusetrag (hydrochloride)
Velusetrag (TD-5108) hydrochloride is an orally active, potent and selective agonist of serotonin 5-HT4 receptor (5-HT4R), with a pKi of 7.7. Velusetrag hydrochloride exhibits no affinity (Ki>10 μM) for 5-HT2A and 5-HT2B receptors. Velusetrag hydrochloride can be used for the research of gastrointestinal diseases and Parkinson's disease[1][2][3][4][5].
(1s,4r,5r,7s,11r,13s,16s,17s,18s,19r)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-16-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-en-9-one
(1r,4br,5s,6r,6ar,10ar,10br,12ar)-5-(acetyloxy)-1-(furan-3-yl)-1-hydroxy-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-5h,6h,6ah,10bh,11h,12h-naphtho[2,1-f]isochromen-6-yl acetate
methyl (3s,4as,5r,6r,6ar,7s,11as,11br)-6-(acetyloxy)-3-(benzoyloxy)-4a,5-dihydroxy-4,4,11b-trimethyl-1h,2h,3h,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-7-carboxylate
15-[(1z)-2-(7-hydroxy-2-oxochromen-6-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
n-[(2r,3s,6s,7r,8r)-7-(benzoyloxy)-8-butyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
[(2r,3s,4s,5r,6s)-6-{[(1s,18s,19r,20s)-19-ethenyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15-pentaen-18-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
2-({19-ethenyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15-pentaen-18-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate
(13s,15r)-15-[(1e)-2-(7-hydroxy-2-oxochromen-8-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-en-9-one
(2r,3r,4s,5s,6r)-2-[3-(4-{[(1s,2r)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(13s,15r)-15-[(1e)-2-(7-hydroxy-2-oxochromen-6-yl)ethenyl]-11,11,15-trimethyl-8-(2-methylbut-3-en-2-yl)-6,10,16-trioxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,3,7,9(17)-tetraen-5-one
20-(acetyloxy)-17-(furan-3-yl)-8,8,12,18-tetramethyl-4,11-dioxo-7,14-dioxahexacyclo[10.8.0.0²,⁶.0²,⁹.0¹³,¹⁵.0¹³,¹⁸]icosan-19-yl acetate
[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-{[(2r)-4-[(1s)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl]oxy}oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
4,7-bis[(acetyloxy)methyl]-7-hydroxy-6-[(3-methylbutanoyl)oxy]-1h,6h,7ah-cyclopenta[c]pyran-1-yl 3-(acetyloxy)-3-methylbutanoate
10-acetoxy-1-acevaltratehydrin
{"Ingredient_id": "HBIN000041","Ingredient_name": "10-acetoxy-1-acevaltratehydrin","Alias": "NA","Ingredient_formula": "C26H36O12","Ingredient_Smile": "CC(C)CC(=O)OC1C=C2C(C1(COC(=O)C)O)C(OC=C2COC(=O)C)OC(=O)CC(C)(C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "121","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-acetylstritosamide
{"Ingredient_id": "HBIN012613","Ingredient_name": "6-o-acetylstritosamide","Alias": "NA","Ingredient_formula": "C28H32N2O9","Ingredient_Smile": "CC=C1C2CC3C4=C(CCN3C(=O)C2=COC1OC5C(C(C(C(O5)COC(=O)C)O)O)O)C6=CC=CC=C6N4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "515","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7,9,9'-trihydroxy-3,3'-dimethoxy-8-o-4'-neo-lignan-4-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN013000","Ingredient_name": "7,9,9'-trihydroxy-3,3'-dimethoxy-8-o-4'-neo-lignan-4-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C26H36O12","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21698","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}