Exact Mass: 589.3118338
Exact Mass Matches: 589.3118338
Found 378 metabolites which its exact mass value is equals to given mass value 589.3118338
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Benzoylmesaconine
C31H43NO10 (589.2886818000001)
Benzoylmesaconine is the most abundant component of Wutou decoction, which is widely used in China because of its therapeutic effect on rheumatoid arthritis. Benzoylmesaconine is the most abundant component of Wutou decoction, which is widely used in China because of its therapeutic effect on rheumatoid arthritis.
(2E,4E)-N-[2-[[(2R,3R,4R,5R,6S)-2-(1,2-Dihydroxyethyl)-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]tetradeca-2,4-dienamide
Benzoylmesaconine
C31H43NO10 (589.2886818000001)
Aconitane-3,8,13,14,15-pentol, 4-(methoxymethyl)-20-methyl-1,6,16-trimethoxy-, 14-benzoate, (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)- is a natural product found in Aconitum, Aconitum jaluense, and Aconitum carmichaelii with data available. Benzoylmesaconine is the most abundant component of Wutou decoction, which is widely used in China because of its therapeutic effect on rheumatoid arthritis. Benzoylmesaconine is the most abundant component of Wutou decoction, which is widely used in China because of its therapeutic effect on rheumatoid arthritis.
14-hydroxy-2alpha,3beta-((5S)-6-hydroxy-9c-methyl-(5rS)-8-oxa-1-thia-4-aza-spiro[4.5]decane-6c,7c-diyldioxy)-19-oxo-(5alpha,14beta)-card-20(22)-enolide|voruscharin|voruscharine
C31H43NO8S (589.2709238000001)
Benzoylmesaconine
C31H43NO10 (589.2886818000001)
A diterpene alkaloid with formula C31H43NO10 that is isolated from several Aconitum species. Benzoylmesaconine is the most abundant component of Wutou decoction, which is widely used in China because of its therapeutic effect on rheumatoid arthritis. Benzoylmesaconine is the most abundant component of Wutou decoction, which is widely used in China because of its therapeutic effect on rheumatoid arthritis.
(20R,25R)-23,26-epimino-3beta-hydroxy-5alpha-cholest-23(N)-ene-6,22-dione 3-O-beta-D-glucopyranoside
(32S,6S)-6-benzyl-31-[N-(N,N-dimethyl-L-alanyl)-L-leucyl]-(32rH,33tH)-2-oxa-5,8-diaza-1(1,4)-benzena-3(3,2)-pyrrolidina-cyclodecaphan-9c-ene-4,7-dione|Mauritin H|Mauritine H|mauritine-H
2-((4R)-N-benzyl-4-((3R,5S,7S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
C33H51NO6S (589.3436906000001)
Ala Lys Trp Trp
Ala Gln Trp Trp
C30H35N7O6 (589.2648690000001)
Ala Trp Lys Trp
Ala Trp Gln Trp
C30H35N7O6 (589.2648690000001)
Ala Trp Trp Lys
Ala Trp Trp Gln
C30H35N7O6 (589.2648690000001)
Cys Arg Arg Arg
Glu Lys Lys Trp
Glu Lys Gln Trp
Glu Lys Trp Lys
Glu Lys Trp Gln
Glu Gln Lys Trp
Glu Gln Trp Lys
Glu Trp Lys Lys
Glu Trp Lys Gln
Glu Trp Gln Lys
Phe His Met Arg
Phe His Arg Met
Phe His Thr Trp
C30H35N7O6 (589.2648690000001)
Phe His Trp Thr
C30H35N7O6 (589.2648690000001)
Phe Met His Arg
Phe Met Arg His
Phe Arg His Met
Phe Arg Met His
Phe Thr His Trp
C30H35N7O6 (589.2648690000001)
Phe Thr Trp His
C30H35N7O6 (589.2648690000001)
Phe Trp His Thr
C30H35N7O6 (589.2648690000001)
Phe Trp Thr His
C30H35N7O6 (589.2648690000001)
His Phe Met Arg
His Phe Arg Met
His Phe Thr Trp
C30H35N7O6 (589.2648690000001)
His Phe Trp Thr
C30H35N7O6 (589.2648690000001)
His Met Phe Arg
His Met Arg Phe
His Arg Phe Met
His Arg Met Phe
His Thr Phe Trp
C30H35N7O6 (589.2648690000001)
His Thr Trp Phe
C30H35N7O6 (589.2648690000001)
His Trp Phe Thr
C30H35N7O6 (589.2648690000001)
His Trp Thr Phe
C30H35N7O6 (589.2648690000001)
Lys Ala Trp Trp
Lys Glu Lys Trp
Lys Glu Gln Trp
Lys Glu Trp Lys
Lys Glu Trp Gln
Lys Lys Glu Trp
Lys Lys Trp Glu
Lys Met Arg Arg
Lys Gln Glu Trp
Lys Gln Trp Glu
Lys Arg Met Arg
Lys Arg Arg Met
Lys Arg Thr Trp
Lys Arg Trp Thr
Lys Thr Arg Trp
Lys Thr Trp Arg
Lys Trp Ala Trp
Lys Trp Glu Lys
Lys Trp Glu Gln
Lys Trp Lys Glu
Lys Trp Gln Glu
Lys Trp Arg Thr
Lys Trp Thr Arg
Lys Trp Trp Ala
Met Phe His Arg
Met Phe Arg His
Met His Phe Arg
Met His Arg Phe
Met Lys Arg Arg
Met Gln Arg Arg
Met Arg Phe His
Met Arg His Phe
Met Arg Lys Arg
Met Arg Gln Arg
Met Arg Arg Lys
Met Arg Arg Gln
Gln Ala Trp Trp
C30H35N7O6 (589.2648690000001)
Gln Glu Lys Trp
Gln Glu Trp Lys
Gln Lys Glu Trp
Gln Lys Trp Glu
Gln Met Arg Arg
Gln Arg Met Arg
Gln Arg Arg Met
Gln Arg Thr Trp
Gln Arg Trp Thr
Gln Thr Arg Trp
Gln Thr Trp Arg
Gln Trp Ala Trp
C30H35N7O6 (589.2648690000001)
Gln Trp Glu Lys
Gln Trp Lys Glu
Gln Trp Arg Thr
Gln Trp Thr Arg
Gln Trp Trp Ala
C30H35N7O6 (589.2648690000001)
Arg Cys Arg Arg
Arg Phe His Met
Arg Phe Met His
Arg His Phe Met
Arg His Met Phe
Arg Lys Met Arg
Arg Lys Arg Met
Arg Lys Thr Trp
Arg Lys Trp Thr
Arg Met Phe His
Arg Met His Phe
Arg Met Lys Arg
Arg Met Gln Arg
Arg Met Arg Lys
Arg Met Arg Gln
Arg Gln Met Arg
Arg Gln Arg Met
Arg Gln Thr Trp
Arg Gln Trp Thr
Arg Arg Cys Arg
Arg Arg Lys Met
Arg Arg Met Lys
Arg Arg Met Gln
Arg Arg Gln Met
Arg Arg Arg Cys
Arg Thr Lys Trp
Arg Thr Gln Trp
Arg Thr Trp Lys
Arg Thr Trp Gln
Arg Trp Lys Thr
Arg Trp Gln Thr
Arg Trp Thr Lys
Arg Trp Thr Gln
Thr Phe His Trp
C30H35N7O6 (589.2648690000001)
Thr Phe Trp His
C30H35N7O6 (589.2648690000001)
Thr His Phe Trp
C30H35N7O6 (589.2648690000001)
Thr His Trp Phe
C30H35N7O6 (589.2648690000001)
Thr Lys Arg Trp
Thr Lys Trp Arg
Thr Gln Arg Trp
Thr Gln Trp Arg
Thr Arg Lys Trp
Thr Arg Gln Trp
Thr Arg Trp Lys
Thr Arg Trp Gln
Thr Trp Phe His
C30H35N7O6 (589.2648690000001)
Thr Trp His Phe
C30H35N7O6 (589.2648690000001)
Thr Trp Lys Arg
Thr Trp Gln Arg
Thr Trp Arg Lys
Thr Trp Arg Gln
Trp Ala Lys Trp
Trp Ala Gln Trp
C30H35N7O6 (589.2648690000001)
Trp Ala Trp Lys
Trp Ala Trp Gln
C30H35N7O6 (589.2648690000001)
Trp Glu Lys Lys
Trp Glu Lys Gln
Trp Glu Gln Lys
Trp Phe His Thr
C30H35N7O6 (589.2648690000001)
Trp Phe Thr His
C30H35N7O6 (589.2648690000001)
Trp His Phe Thr
C30H35N7O6 (589.2648690000001)
Trp His Thr Phe
C30H35N7O6 (589.2648690000001)
Trp Lys Ala Trp
Trp Lys Glu Lys
Trp Lys Glu Gln
Trp Lys Lys Glu
Trp Lys Gln Glu
Trp Lys Arg Thr
Trp Lys Thr Arg
Trp Lys Trp Ala
Trp Gln Ala Trp
C30H35N7O6 (589.2648690000001)
Trp Gln Glu Lys
Trp Gln Lys Glu
Trp Gln Arg Thr
Trp Gln Thr Arg
Trp Gln Trp Ala
C30H35N7O6 (589.2648690000001)
Trp Arg Lys Thr
Trp Arg Gln Thr
Trp Arg Thr Lys
Trp Arg Thr Gln
Trp Thr Phe His
C30H35N7O6 (589.2648690000001)
Trp Thr His Phe
C30H35N7O6 (589.2648690000001)
Trp Thr Lys Arg
Trp Thr Gln Arg
Trp Thr Arg Lys
Trp Thr Arg Gln
Trp Trp Ala Lys
Trp Trp Ala Gln
C30H35N7O6 (589.2648690000001)
Trp Trp Lys Ala
Trp Trp Gln Ala
C30H35N7O6 (589.2648690000001)
CAY10633
METHANAMINE (3R,5R)-7-(2-(4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-(PHENYLCARBAMOYL)-1H-PYRROL-1-YL)-3,5-DIHYDROXYHEPTANOATE
N4-Benzoyl-3,5-O-(1,1,3,3-tetraisopropyl-1,3-disiloxanediyl)cytidine
4-[6-[[6-(1-Butoxyvinyl)-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino]pyridin-3-yl]piperazine-1-carboxylic acid tert-butyl ester
C32H43N7O4 (589.3376357999999)
MMT-HEXYLAMINE-LINKER AMIDITE 0.15G, AB,
C35H48N3O3P (589.3433107999999)
MMT-Hexylaminolinker Phosphoramidite is a cleavable linker. MMT-Hexylaminolinker Phosphoramidite can be used to syntheses oligonucleotide gapmers or other nucleic acid molecules[1][2].
6-(4-Deoxy-4-((2E,4E)-tetradecadienoylglycyl)amino-L-glycero-b-L-mannoheptopyranosyl)amino-9H-purine
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000970 - Antineoplastic Agents
3-[(3-Carboxycyclohexyl)carbamoyl]-4-[3-[4-(4-phenoxybutoxy)phenyl]propoxy]benzoic acid
N-[[(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]-N,4-dimethylbenzenesulfonamide
1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-phenylurea
N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-phenylurea
1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-phenylurea
N-[[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide
N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide
N-[[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide
N-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide
N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide
N-[[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide
N-[[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide
N-[[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide
N-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-tetrazolyl)acetamide
N-[[(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]-N,4-dimethylbenzenesulfonamide
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-tetrazolyl)acetamide
N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
N-[[(3S,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]-N,4-dimethylbenzenesulfonamide
N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
N-[[(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]-N,4-dimethylbenzenesulfonamide
N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-tetrazolyl)acetamide
N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
N-[[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide
N-[[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide
N-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide
N-[[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide
N-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide
N-[[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-tetrazolyl)acetamide
N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-tetrazolyl)acetamide
N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-tetrazolyl)acetamide
N-[[(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]-N,4-dimethylbenzenesulfonamide
N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-tetrazolyl)acetamide
N-[[(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]-N,4-dimethylbenzenesulfonamide
N-[[(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]-N,4-dimethylbenzenesulfonamide
N-[[(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]-N,4-dimethylbenzenesulfonamide
N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
N-[[(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]-N,4-dimethylbenzenesulfonamide
N-[[(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]-N,4-dimethylbenzenesulfonamide
N-[[(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]-N,4-dimethylbenzenesulfonamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide
N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
N-[[(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]-N,4-dimethylbenzenesulfonamide
N-[[(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]-N,4-dimethylbenzenesulfonamide
N-[[(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]-N,4-dimethylbenzenesulfonamide
N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
N-[[(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]-N,4-dimethylbenzenesulfonamide
2-((4R)-N-benzyl-4-((3R,5S,7S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
C33H51NO6S (589.3436906000001)
2-amino-3-[[3-butanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
C28H48NO10P (589.3015677999999)
2-amino-3-[[2-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxy-3-hexanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
C28H48NO10P (589.3015677999999)
3-[[3-acetyloxy-2-[(11Z,14Z,17Z)-icosa-11,14,17-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-aminopropanoic acid
C28H48NO10P (589.3015677999999)
Amikacin(4+)
An organic cation obtained by protonation of the four free amino groups of amikacin; major species at pH 7.3.
1,10,24,26,27-pentahydroxy-6,20,24-trimethyl-12-oxa-18-azaheptacyclo[13.12.0.0²,¹³.0⁵,¹⁰.0⁶,¹³.0¹⁶,²⁵.0¹⁸,²³]heptacosan-9-yl 2-methylbut-2-enoate
2-{4-carboxy-7-[(2-hydroxy-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalen-1-yl)methoxy]-5-methoxy-6-methyl-1-oxo-3h-isoindol-2-yl}pentanedioic acid
C31H43NO10 (589.2886818000001)
(1s,3r,5s,7r,9r,10r,12r,14r,15r,18r,19r,22s,23r)-10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxaspiro[hexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosane-9,2'-[1,3]thiazolidine]-14-carbaldehyde
C31H43NO8S (589.2709238000001)
(2r,3s)-n-[(2z,5r,6r,7s)-7-[(3s,5z,8s,9r)-9,14-dihydroxy-12-methoxy-8-methyl-1-oxo-3,4,7,8,9,10-hexahydro-2-benzoxacyclododecin-3-yl]-6-hydroxy-5-methyloct-2-en-1-yl]-3-hydroxy-2-methylhexanimidic acid
n-[(2z,10z)-6,8-dihydroxy-13-(8-hydroxy-6-methoxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl)-5,7-dimethyltetradeca-2,10-dien-1-yl]-3-hydroxy-2-methylhexanimidic acid
(4r)-n-[(1s,4r)-4-isopropyl-2-methoxy-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid
3-[4-(acetyloxy)-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-(2,3,3-trimethyloxiran-2-yl)butan-2-yl pyridine-3-carboxylate
4-[(1r,3s,5r,7s,8s,9s,10r,12r,14s,15r,18r,19s,22s,23r)-8,10,22-trihydroxy-7,14,18-trimethyl-5'h-4,6,11-trioxaspiro[hexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosane-9,2'-[1,3]thiazol]-19-yl]-5h-furan-2-one
C31H43NO8S (589.2709238000001)
(1s,3r,4r,6s,7s,8r,10r,13r,14r,16s,17s,18r)-5,7,8,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
C31H43NO10 (589.2886818000001)
benzoylmesaconitine
C31H43NO10 (589.2886818000001)
{"Ingredient_id": "HBIN017823","Ingredient_name": "benzoylmesaconitine","Alias": "NA","Ingredient_formula": "C31H43NO10","Ingredient_Smile": "CN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)O)OC)OC)O)COC","Ingredient_weight": "589.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6364","PubChem_id": "122173204","DrugBank_id": "NA"}
2-({2-[(2-{[2-({2-[(2-amino-1-hydroxypropylidene)amino]-1-hydroxyethylidene}amino)-1-hydroxy-3-methylbutylidene]amino}-1,3-dihydroxybutylidene)amino]-1,3-dihydroxypropylidene}amino)-5-carbamimidamidopentanoic acid
(1s,3r,5s,7r,9r,10r,12r,14r,15s,18r,19r,22s,23r)-10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxaspiro[hexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosane-9,2'-[1,3]thiazolidine]-14-carbaldehyde
C31H43NO8S (589.2709238000001)
(4r,7r)-n-[(1s,2s,4r,7s)-2-hydroxy-4-isopropyl-7-[(2s)-2-methylbutyl]-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid
(2r,5s,8s,11s)-3,12-dihydroxy-11-[(4-hydroxyphenyl)methyl]-10-methyl-2,5,8-tris(2-methylpropyl)-1,7-dioxa-4,10,13-triazacyclohexadeca-3,12-diene-6,9,16-trione
(2r,3s)-3-[(1r,3as,3bs,4r,9ar,9bs,11ar)-4-(acetyloxy)-9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-[(2s)-2,3,3-trimethyloxiran-2-yl]butan-2-yl pyridine-3-carboxylate
n-[4-isopropyl-2-methoxy-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid
(1r,3as,3bs,4r,9ar,9bs,11ar)-9a,11a-dimethyl-7-oxo-1-[(1s)-1-[(1s,3r,5r)-5,6,6-trimethyl-1-(pyridin-3-yl)-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl]-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
2-phenyl-n-[(2r,3s,6s,9r)-4,7,10-trihydroxy-9-(1h-indol-3-ylmethyl)-2-methyl-6-(2-methylpropyl)-14-oxo-1-oxa-5,8,11-triazacyclotetradeca-4,7,10-trien-3-yl]ethanimidic acid
2-{7-carboxy-4-[(2-hydroxy-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalen-1-yl)methoxy]-6-methoxy-5-methyl-1-oxo-3h-isoindol-2-yl}pentanedioic acid
C31H43NO10 (589.2886818000001)
(1s,3r,5s,7r,9s,10r,12r,14r,15s,18r,19r,22s,23r)-10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxaspiro[hexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosane-9,2'-[1,3]thiazolidine]-14-carbaldehyde
C31H43NO8S (589.2709238000001)
(1r,3as,3bs,5as,7s,9ar,9bs,11as)-9a,11a-dimethyl-1-[(2s)-1-[(4r)-4-methyl-4,5-dihydro-3h-pyrrol-2-yl]-1-oxopropan-2-yl]-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-tetradecahydrocyclopenta[a]phenanthren-5-one
(4s,7r)-n-[(1s,2s,4r,7s)-4-isopropyl-2-methoxy-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid
(1s,2s,5s,6s,9s,10s,13r,15s,16s,20s,23s,24s,25r,26r,27s)-1,10,24,26,27-pentahydroxy-6,20,24-trimethyl-12-oxa-18-azaheptacyclo[13.12.0.0²,¹³.0⁵,¹⁰.0⁶,¹³.0¹⁶,²⁵.0¹⁸,²³]heptacosan-9-yl (2z)-2-methylbut-2-enoate
9a,11a-dimethyl-7-oxo-1-{1-[5,6,6-trimethyl-1-(pyridin-3-yl)-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl}-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
9a,11a-dimethyl-1-[1-(4-methyl-4,5-dihydro-3h-pyrrol-2-yl)-1-oxopropan-2-yl]-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-tetradecahydrocyclopenta[a]phenanthren-5-one
11-hydroxy-14-{[1-(6-hydroxy-2,6-dimethyl-4-oxoheptan-2-yl)imidazol-4-yl]methylidene}-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.0¹,¹³.0³,⁸]hexadeca-3,5,7,10-tetraene-12,15-dione
(2r,3s)-n-[(2z,5r,6r,7r,8s,10z,13s)-6,8-dihydroxy-13-[(3r)-8-hydroxy-6-methoxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl]-5,7-dimethyltetradeca-2,10-dien-1-yl]-3-hydroxy-2-methylhexanimidic acid
(1r,3as,3bs,5as,7s,9ar,9bs,11as)-9a,11a-dimethyl-1-[(2r)-1-[(4r)-4-methyl-4,5-dihydro-3h-pyrrol-2-yl]-1-oxopropan-2-yl]-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-tetradecahydrocyclopenta[a]phenanthren-5-one
n-[6,8-dihydroxy-13-(8-hydroxy-6-methoxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl)-5,7-dimethyltetradeca-2,10-dien-1-yl]-3-hydroxy-2-methylhexanimidic acid
(4r,7r)-n-[(1s,2s,4r,7s)-4-isopropyl-2-methoxy-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidic acid
(2s)-2-{[(2s)-2-{[(2s,3r)-2-{[(2s)-2-[(2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-1-hydroxyethylidene)amino]-1-hydroxy-3-methylbutylidene]amino}-1,3-dihydroxybutylidene]amino}-1,3-dihydroxypropylidene]amino}-5-carbamimidamidopentanoic acid
n-[7-(9,14-dihydroxy-12-methoxy-8-methyl-1-oxo-3,4,7,8,9,10-hexahydro-2-benzoxacyclododecin-3-yl)-6-hydroxy-5-methyloct-2-en-1-yl]-3-hydroxy-2-methylhexanimidic acid
2-(4-{[(1s,2r,4as,8as)-2-hydroxy-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalen-1-yl]methoxy}-7-carboxy-6-methoxy-5-methyl-1-oxo-3h-isoindol-2-yl)pentanedioic acid
C31H43NO10 (589.2886818000001)
2-(7-{[(1s,2r,4as,8as)-2-hydroxy-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalen-1-yl]methoxy}-4-carboxy-5-methoxy-6-methyl-1-oxo-3h-isoindol-2-yl)pentanedioic acid
C31H43NO10 (589.2886818000001)
4-{8,10,22-trihydroxy-7,14,18-trimethyl-5'h-4,6,11-trioxaspiro[hexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosane-9,2'-[1,3]thiazol]-19-yl}-5h-furan-2-one
C31H43NO8S (589.2709238000001)
(1s,2s,3s,4r,5r,6s,8r,9s,10r,13s,14r,16s,17r)-11-ethyl-5,6,8,14,17-pentahydroxy-16-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate
C31H43NO10 (589.2886818000001)
2-phenyl-n-[4,7,10-trihydroxy-9-(1h-indol-3-ylmethyl)-2-methyl-6-(2-methylpropyl)-14-oxo-1-oxa-5,8,11-triazacyclotetradeca-4,7,10-trien-3-yl]ethanimidic acid
(1r,2s,3r,4r,5s,6s,7r,8r,10r,13r,14r,16r,17s,18r)-5,7,8,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
C31H43NO10 (589.2886818000001)
3,12-dihydroxy-11-[(4-hydroxyphenyl)methyl]-10-methyl-2,5,8-tris(2-methylpropyl)-1,7-dioxa-4,10,13-triazacyclohexadeca-3,12-diene-6,9,16-trione
10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-4,6,11-trioxaspiro[hexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosane-9,2'-[1,3]thiazolidine]-14-carbaldehyde
C31H43NO8S (589.2709238000001)