Exact Mass: 584.3322
Exact Mass Matches: 584.3322
Found 454 metabolites which its exact mass value is equals to given mass value 584.3322
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
lappacontine
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002491 - Central Nervous System Agents > D000700 - Analgesics Lappaconitine is a diterpenoid.
Ouabain
Ouabain is only found in individuals that have used or taken this drug. It is a cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like digitalis. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-exchanging ATPase. [PubChem]Ouabain inhibits the Na-K-ATPase membrane pump, resulting in an increase in intracellular sodium and calcium concentrations. Increased intracellular concentrations of calcium may promote activation of contractile proteins (e.g., actin, myosin). Ouabain also acts on the electrical activity of the heart, increasing the slope of phase 4 depolarization, shortening the action potential duration, and decreasing the maximal diastolic potential. CONFIDENCE standard compound; INTERNAL_ID 472; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6235; ORIGINAL_PRECURSOR_SCAN_NO 6233 CONFIDENCE standard compound; INTERNAL_ID 472; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6272; ORIGINAL_PRECURSOR_SCAN_NO 6270 CONFIDENCE standard compound; INTERNAL_ID 472; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6219; ORIGINAL_PRECURSOR_SCAN_NO 6216 CONFIDENCE standard compound; INTERNAL_ID 472; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6224; ORIGINAL_PRECURSOR_SCAN_NO 6220 CONFIDENCE standard compound; INTERNAL_ID 472; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6194; ORIGINAL_PRECURSOR_SCAN_NO 6191 C - Cardiovascular system > C01 - Cardiac therapy > C01A - Cardiac glycosides > C01AC - Strophanthus glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D013328 - Strophanthins [Raw Data] CB084_Ouabain_pos_50eV_CB000036.txt [Raw Data] CB084_Ouabain_pos_10eV_CB000036.txt [Raw Data] CB084_Ouabain_pos_30eV_CB000036.txt [Raw Data] CB084_Ouabain_pos_20eV_CB000036.txt [Raw Data] CB084_Ouabain_pos_40eV_CB000036.txt D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors
Cholic acid glucuronide
Cholic acid glucuronide is the glucuronidated metabolite of cholic acid, one of the four main acids produced by the liver where it is synthesized from cholesterol. Upon formation, the glucuronide is rapidly and effectively cleared from the circulation and excreted via urine. (PMID:4020296) [HMDB] Cholic acid glucuronide is the glucuronidated metabolite of cholic acid, one of the four main acids produced by the liver where it is synthesized from cholesterol. Upon formation, the glucuronide is rapidly and effectively cleared from the circulation and excreted via urine. (PMID:4020296). D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
Glycosides
Ouabain, a cardiac glycoside similar to digitoxin, is used to treat congestive heart failure and supraventricular arrhythmias due to reentry mechanisms, and to control ventricular rate in the treatment of chronic atrial fibrillation. Glycosides is found in allspice, fig, and apricot. Glycosides is found in allspice. Ouabain, a cardiac glycoside similar to digitoxin, is used to treat congestive heart failure and supraventricular arrhythmias due to reentry mechanisms, and to control ventricular rate in the treatment of chronic atrial fibrillation C - Cardiovascular system > C01 - Cardiac therapy > C01A - Cardiac glycosides > C01AC - Strophanthus glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D013328 - Strophanthins D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors
Acolongifloriside K
1-Deacetylnimbolinin B
12alpha-acetoxypetuniasterone D 7-acetate|Petuniasteron-D-7alpha, 12alpha-diacetat
3beta,25-Epoxy-3alpha,21alpha-dihydroxy-22beta-tigloyloxyolean-12-ene-28-oic acid
Di-Ac,Me ester-3beta-3,24-Dihydroxy-11-oxo-12-oleanen-30-oic acid
Ecdysterone 22-O-benzoate
Origin: Plant; SubCategory_DNP: The sterols, Cholestanes
3beta,25-Epoxy-3alpha,21alpha-dihydroxy-22beta-(3-methylbut-2-en-1-oyloxy)olean-12-ene-28-oic acid
1alpha,14alpha,16beta-trimethoxy-4beta-N-acetylanthroyloxy-6beta,8beta-dihydroxy-N-ethylaconitane|artekorine
7alpha,21beta-diacetoxy-21R?,23R?:24alpha,25-diepoxy-11alpha-hydroxy-4,4,8-trimethyl-cholesta-1,14-dien-3-one|brujavanone A
16,22alpha-diacetoxy-6-hydroxy-29-nor-24-methylcycloart-1, 24(24a)-dien-3,23-dion-3,4-lactone|22alpha-acetoxy-6-hydroxyneomacrolactone
23-hydroxytormentic acid 23-sulfate ester|2alpha,3beta,19alpha,23-tetrahydroxyurs-12-en-28-oic acid 23-sulfate ester
(2R,5S,6S,8R,9R,10S,18R,19S)-18,19-diacetoxy-18,19-epoxy-2-[(2Z,4E)-decadienoyloxy]-6-hydroxycleroda-3,12(E),14-triene|argutin A
3-O-Acetyl-28-acetoxy-glycyrrhetinsaeure-methylester
rel-(1R,2R,3S,3R,4S,5R,5S,7S,10R,11S,13R)-lyngbouilloside
(2R,5S,7S,8S,9S,10S,18R,19S)-18,19-diacetoxy-18,19-epoxy-2-[(2Z,4E)-decadienoyloxy]-7-hydroxycleroda-3,12(E),14-triene|argutin E
Aralionin-C|aralionine-C|N,N-dimethyl-L-isoleucine (4S)-7t-((R)-hydroxy-phenyl-methyl)-5,8-dioxo-3t-phenyl-2-oxa-6,9-diaza-1(1,4)-benzena-cycloundecaphan-10c-en-4r-ylamide
Phe Tyr Gln Lys
27-O-(tert-Butyldimethylsilyl)withaferin A
27-O-(tert-Butyldimethylsilyl)withaferin A is a natural product found in Withania aristata with data available.
Ouabain
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D013328 - Strophanthins A steroid hormone that is a multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na(+)/K(+)-ATPase (sodium pump). It has been isolated naturally from Strophanthus gratus. C - Cardiovascular system > C01 - Cardiac therapy > C01A - Cardiac glycosides > C01AC - Strophanthus glycosides D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors relative retention time with respect to 9-anthracene Carboxylic Acid is 0.613 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.614
12b-O-[deca-2E,4Z-dienoyl]-13a-isobutyl-4b-phorbol
12b-O-[deca-2Z,4E-dienoyl]-13a-isobutyl-4b-phorbol
1,12-dihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone
C29H44O12_Card-20(22)-enolide, 3-[(6-deoxy-beta-D-talopyranosyl)oxy]-1,5,11,14,19-pentahydroxy-, (1beta,3beta,5beta,8xi,9xi,11alpha)
C33H44O9_(1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-4,9,11-Triacetoxy-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,3a,4,5,8,9,10,11,13a-decahydro-1H-cyclopenta[12]annulen-1-yl benzoate
3-[(1R,3S,5S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Lappaconitine
Origin: Plant; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
1,12-dihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone [IIN-based on: CCMSLIB00000848996]
1,12-dihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexone [IIN-based: Match]
(2S,3S,4S,5R,6R)-6-(((3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((R)-4-carboxybutan-2-yl)-7,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
Phe Lys Lys Tyr
Phe Lys Gln Tyr
Phe Lys Tyr Lys
Phe Lys Tyr Gln
Phe Gln Lys Tyr
Phe Gln Tyr Lys
Phe Tyr Lys Lys
Phe Tyr Lys Gln
Lys Phe Lys Tyr
Lys Phe Gln Tyr
Lys Phe Tyr Lys
Lys Phe Tyr Gln
Lys Lys Phe Tyr
Lys Lys Tyr Phe
Lys Gln Phe Tyr
Lys Gln Tyr Phe
Lys Tyr Phe Lys
Lys Tyr Phe Gln
Lys Tyr Lys Phe
Lys Tyr Gln Phe
Gln Phe Lys Tyr
Gln Phe Tyr Lys
Gln Lys Phe Tyr
Gln Lys Tyr Phe
Gln Tyr Phe Lys
Gln Tyr Lys Phe
Tyr Phe Lys Lys
Tyr Phe Lys Gln
Tyr Phe Gln Lys
Tyr Lys Phe Lys
Tyr Lys Phe Gln
Tyr Lys Lys Phe
Tyr Lys Gln Phe
Tyr Gln Phe Lys
Tyr Gln Lys Phe
Cholic acid glucuronide
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
Linetastine
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
methyl (2S)-6-amino-2-[[(2R)-2-[[(2S)-1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]hexanoyl]amino]hexanoate
1-O-(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)-beta-D-glucopyranuronic acid
1,5-Bis(n-benzyloxycarbonyl-l-leucinyl)carbohydrazide
(9xi,17xi,22S)-2,3,14,20,25-pentahydroxy-6-oxocholest-7-en-22-yl benzoate
N1-(3,4-dihydroxybenzoyl)-N8,N8-citryl-bis(spermidine)
(6aR,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-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-7-ium-9-carboxamide
Acolongifloroside K
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D013328 - Strophanthins D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors
Acolongifloroside potassium
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D013328 - Strophanthins D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors
3-acetyl-7-tigloylvilasinin lactone
A limonoid found in Azadirachta indica.
1-O-(3alpha,6alpha,7alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)-beta-D-glucopyranuronic acid
1-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
1-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
1-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea
1-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
1-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
1-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
1-(1,3-benzodioxol-5-yl)-3-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
1-(1,3-benzodioxol-5-yl)-3-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
1-(1,3-benzodioxol-5-yl)-3-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
1-(1,3-benzodioxol-5-yl)-3-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
1-(1,3-benzodioxol-5-yl)-3-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
1-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(3S,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(3R,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea
1-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea
1-(1,3-benzodioxol-5-yl)-3-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
1-(1,3-benzodioxol-5-yl)-3-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
1-(1,3-benzodioxol-5-yl)-3-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
1-(1,3-benzodioxol-5-yl)-3-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
1-(1,3-benzodioxol-5-yl)-3-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
1-(1,3-benzodioxol-5-yl)-3-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
1-(1,3-benzodioxol-5-yl)-3-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
1-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(3S,9R,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(3R,9R,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(3R,9S,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea
1-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea
1-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea
1-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
1-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea
1-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
1-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
1-(10Z)-heptadecenoyl-sn-glycero-3-phospho-1D-myo-inositol
6alpha-(beta-D-glucopyranuronosyloxy)-3alpha,7alpha-dihydroxy-5beta-cholan-24-oic acid
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-(5-hydroxypentanoyloxy)propyl] hexadecanoate
(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-17-(5-hydroxyfuran-3-yl)-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,5,11,14-tetrol
[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (Z)-heptadec-9-enoate
[1-butanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
[1-acetyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (11Z,14Z,17Z)-icosa-11,14,17-trienoate
[1-hexanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
(1-octanoyloxy-3-phosphonooxypropan-2-yl) (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
(1-hexanoyloxy-3-phosphonooxypropan-2-yl) (10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoate
(1-acetyloxy-3-phosphonooxypropan-2-yl) (14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoate
(1-butanoyloxy-3-phosphonooxypropan-2-yl) (12Z,15Z,18Z,21Z)-tetracosa-12,15,18,21-tetraenoate
(1-dodecanoyloxy-3-phosphonooxypropan-2-yl) (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
(1-decanoyloxy-3-phosphonooxypropan-2-yl) (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
12b-O-[deca-2Z,4E-dienoyl]-13a-isobutyl-4b-phorbol
12b-O-[deca-2E,4Z-dienoyl]-13a-isobutyl-4b-phorbol
3-[(1S,3R,5S,8R,9S,10R,11R,13R,14S,17S)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
[1-[(6E,9E)-dodeca-6,9-dienoyl]oxy-3-phosphonooxypropan-2-yl] (4E,7E)-hexadeca-4,7-dienoate
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] (9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate
[(2R)-2-decanoyloxy-3-phosphonooxypropyl] (6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoate
[1-[(E)-dodec-5-enoyl]oxy-3-phosphonooxypropan-2-yl] (9E,11E,13E)-hexadeca-9,11,13-trienoate
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] (6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoate
[(2R)-2-decanoyloxy-3-phosphonooxypropyl] (9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate
(1-dodecanoyloxy-3-phosphonooxypropan-2-yl) (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate
2-[hydroxy-[3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]-2-pentanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-2-propanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[[3-acetyloxy-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[3-butanoyloxy-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Streptomycin(3+)
Trication of streptomycin arising from protonation of the guanidino and secondary amino groups.
1-hexadecanoyl-2-succinyl-sn-glycero-3-phospho-(1-sn-glycerol)
hyocholic acid 24-O-(beta-D-glucuronide)
A steroid glucosiduronic acid obtained by formal condensation of the carboxy group of hyocholic acid with the anomeric hydroxy group of beta-D-glucuronic acid.
cholic acid 24-O-(beta-D-glucuronide)
A steroid glucosiduronic acid obtained by formal condensation of the carboxy group of cholic acid with the anomeric hydroxy group of beta-D-glucuronic acid.
1-(1Z-octadecenyl)-glycero-3-phospho-(1-myo-inositol)
1-(9Z-heptadecenoyl)-glycero-3-phospho-(1-myo-inositol)
hyocholic acid 6-O-(beta-D-glucuronide)
A steroid glucosiduronic acid that is hyocholic acid having a single beta-D-glucuronic acid residue attached at position 6.
BisMePA(26:4)
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(3s,6r,9s,14as)-9-[(2s)-butan-2-yl]-1,4,7-trihydroxy-6-[(4-methoxyphenyl)methyl]-3-{6-[(2s)-oxiran-2-yl]-6-oxohexyl}-3h,6h,9h,12h,13h,14h,14ah-pyrrolo[1,2-a]1,4,7,10-tetraazacyclododecan-10-one
[6-(acetyloxy)-7-hydroxy-1-[(3-methylbutanoyl)oxy]-4-{[(3-methylbutanoyl)oxy]methyl}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-7-yl]methyl 3-(acetyloxy)-3-methylbutanoate
n-{5-[11,14-dihydroxy-10-(c-hydroxycarbonimidoyloxy)-4-methyl-20-oxo-1-oxacycloicosa-4,6,12,18-tetraen-2-yl]-3-methylhexa-1,3-dien-1-yl}-3-methylbut-2-enimidic acid
4-[(1r,3as,3br,5as,7s,9r,9ar,9bs,10r,11ar)-3a,5a,9,10-tetrahydroxy-9a-(hydroxymethyl)-11a-methyl-7-{[(2r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-5h-furan-2-one
(2s,3r,6r)-2-[(2r,4s,5r,7s,8s,11s,12s,14s,15r,16r)-14-(acetyloxy)-5-hydroxy-7,12,16-trimethyl-6-oxopentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadec-1(18)-en-15-yl]-7-hydroxy-6-methyl-5-methylidene-4-oxoheptan-3-yl acetate
3,5-dihydroxy-4,4-dimethyl-2-(2-methylpropanoyl)-6-{[(2s,3r)-3,5,7-trihydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-8-(2-methylpropanoyl)-3,4-dihydro-1-benzopyran-6-yl]methyl}cyclohexa-2,5-dien-1-one
(1s,2s,3ar,4s,5s,9r,11r,13as)-4,9,11-tris(acetyloxy)-3a-hydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate
(11e,13e)-7,16-diethyl-4,6-dihydroxy-15-{[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]methyl}-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
(2s)-n-[(3s,4s,7r,10z)-5,8-dihydroxy-7-[(r)-hydroxy(phenyl)methyl]-3-isopropyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-3-phenylpropanimidic acid
(1r,2r,3ar,4r,5r,9r,11r,13as)-4,9,11-tris(acetyloxy)-3a-hydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate
(1s,3r,5r,6as,7r,8r,10r,10as)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-[(2e)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (4e)-deca-2,4-dienoate
1,6-dihydroxy-4,12,12,15-tetramethyl-8-{[(2-methylbut-2-enoyl)oxy]methyl}-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-13-yl decanoate
1,3-bis(acetyloxy)-9-hydroxy-7,8-dimethyl-7-(3-methylpenta-2,4-dien-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl deca-2,4-dienoate
(1r,3r,5s,6ar,7r,8s,10s,10ar)-1,3-bis(acetyloxy)-10-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2z,4z)-deca-2,4-dienoate
1,5,12,16,24,27-hexahydroxy-1,6,12,17,23,28-hexaazacyclotritriaconta-5,16,23,27-tetraene-2,13-dione
(3s,5r)-3-[(1s,2r,3r,5r,6r,9s,14s,15r,18s,19s)-3-hydroxy-2,6,14-trimethyl-9-phenyl-8-oxahexacyclo[16.3.1.0¹,¹⁸.0²,¹⁵.0⁵,¹⁴.0⁶,¹¹]docosa-11,16-dien-19-yl]-5-[(1e)-3-hydroxy-2-methylprop-1-en-1-yl]oxolan-2-one
2-[(1z,2s,3as,3bs,5s,5as,6s,9ar,9bs,11ar)-5-(acetyloxy)-3a,3b,6,9a-tetramethyl-4,7-dioxo-2-(propanoyloxy)-decahydro-2h-cyclopenta[a]phenanthren-1-ylidene]-6-methylhept-5-enoic acid
(1r,2s,6r,10s,11r,13s,15r)-1,6-dihydroxy-4,12,12,15-tetramethyl-8-({[(2e)-2-methylbut-2-enoyl]oxy}methyl)-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-13-yl decanoate
n-[(1e,3e,5r)-5-[(2r,4z,6e,10r,11r,12z,14r,18z)-11,14-dihydroxy-10-(c-hydroxycarbonimidoyloxy)-4-methyl-20-oxo-1-oxacycloicosa-4,6,12,18-tetraen-2-yl]-3-methylhexa-1,3-dien-1-yl]-3-methylbut-2-enimidic acid
10-hydroxy-4-o-methyl-2,11-diundecylgomphi-lactone
{"Ingredient_id": "HBIN000127","Ingredient_name": "10-hydroxy-4-o-methyl-2,11-diundecylgomphi-lactone","Alias": "NA","Ingredient_formula": "C35H52O7","Ingredient_Smile": "CCCCCCCCCCCC1=C(C(=C2C3=CC(=C(C(=C3OC2=O)CCCCCCCCCCC)O)OC)OC1=O)O","Ingredient_weight": "584.8 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10484","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "54716641","DrugBank_id": "NA"}
1-deacetylnimbolinin b
{"Ingredient_id": "HBIN002468","Ingredient_name": "1-deacetylnimbolinin b","Alias": "NA","Ingredient_formula": "C33H44O9","Ingredient_Smile": "CC=C(C)C(=O)OC1C2C3C(CO2)(C(CC(C3(C4C1(C5=C(C(CC5OC(C4)O)C6=COC=C6)C)C)C)O)OC(=O)C)C","Ingredient_weight": "584.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4755","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "91895443","DrugBank_id": "NA"}
(2s)-1-stearoyl-3-o-(6-sulpho-α-d-quinovopyra-nosyl)-glycerol
{"Ingredient_id": "HBIN006571","Ingredient_name": "(2s)-1-stearoyl-3-o-(6-sulpho-\u03b1-d-quinovopyra-nosyl)-glycerol","Alias": "NA","Ingredient_formula": "C27H52O11S","Ingredient_Smile": "CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "20266","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}