Exact Mass: 589.2581718
Exact Mass Matches: 589.2581718
Found 354 metabolites which its exact mass value is equals to given mass value 589.2581718
,
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.
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.
IMATINIB MESYLATE
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164037 - PDGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163999 - cKIT-targeting Agent C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159198 - c-KIT Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C155700 - BCR-ABL Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Tobramycin, deactivated 2 phosphorylation, 6 N-acetylation
C20H40N5O13P (589.2360120000001)
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)
Asp His Arg Tyr
Asp His Tyr Arg
Asp Asn Arg Trp
Asp Asn Trp Arg
Asp Arg His Tyr
Asp Arg Asn Trp
Asp Arg Trp Asn
Asp Arg Tyr His
Asp Trp Asn Arg
Asp Trp Arg Asn
Asp Tyr His Arg
Asp Tyr Arg His
Glu Lys Gln Trp
Glu Lys Trp Gln
Glu Gln Lys Trp
Glu Gln Gln Trp
C26H35N7O9 (589.2496140000001)
Glu Gln Trp Lys
Glu Gln Trp Gln
C26H35N7O9 (589.2496140000001)
Glu Trp Lys Gln
Glu Trp Gln Lys
Glu Trp Gln Gln
C26H35N7O9 (589.2496140000001)
Phe Phe Asn Tyr
Phe Phe Tyr Asn
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 Asn Phe Tyr
Phe Asn Tyr Phe
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)
Phe Tyr Phe Asn
Phe Tyr Asn Phe
His Asp Arg Tyr
His Asp Tyr Arg
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 Asp Tyr
His Arg Phe Met
His Arg Met Phe
His Arg Tyr Asp
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)
His Tyr Asp Arg
His Tyr Arg Asp
Lys Ala Trp Trp
Lys Glu Gln Trp
Lys Glu Trp Gln
Lys Gln Glu Trp
Lys Gln Trp Glu
Lys Trp Ala Trp
Lys Trp Glu Gln
Lys Trp Gln Glu
Lys Trp Trp Ala
Met Phe His Arg
Met Phe Arg His
Met His Phe Arg
Met His Arg Phe
Met Asn Tyr Tyr
Met Arg Phe His
Met Arg His Phe
Met Tyr Asn Tyr
Met Tyr Tyr Asn
Asn Asp Arg Trp
Asn Asp Trp Arg
Asn Phe Phe Tyr
Asn Phe Tyr Phe
Asn Met Tyr Tyr
Asn Arg Asp Trp
Asn Arg Trp Asp
Asn Trp Asp Arg
Asn Trp Arg Asp
Asn Tyr Phe Phe
Asn Tyr Met Tyr
Asn Tyr Tyr Met
Gln Ala Trp Trp
C30H35N7O6 (589.2648690000001)
Gln Glu Lys Trp
Gln Glu Gln Trp
C26H35N7O9 (589.2496140000001)
Gln Glu Trp Lys
Gln Glu Trp Gln
C26H35N7O9 (589.2496140000001)
Gln Lys Glu Trp
Gln Lys Trp Glu
Gln Gln Glu Trp
C26H35N7O9 (589.2496140000001)
Gln Gln Trp Glu
C26H35N7O9 (589.2496140000001)
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 Glu Gln
C26H35N7O9 (589.2496140000001)
Gln Trp Lys Glu
Gln Trp Gln Glu
C26H35N7O9 (589.2496140000001)
Gln Trp Arg Thr
Gln Trp Thr Arg
Gln Trp Trp Ala
C30H35N7O6 (589.2648690000001)
Arg Asp His Tyr
Arg Asp Asn Trp
Arg Asp Trp Asn
Arg Asp Tyr His
Arg Phe His Met
Arg Phe Met His
Arg His Asp Tyr
Arg His Phe Met
Arg His Met Phe
Arg His Tyr Asp
Arg Met Phe His
Arg Met His Phe
Arg Asn Asp Trp
Arg Asn Trp Asp
Arg Gln Thr Trp
Arg Gln Trp Thr
Arg Thr Gln Trp
Arg Thr Trp Gln
Arg Trp Asp Asn
Arg Trp Asn Asp
Arg Trp Gln Thr
Arg Trp Thr Gln
Arg Tyr Asp His
Arg Tyr His Asp
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 Gln Arg Trp
Thr Gln Trp Arg
Thr Arg Gln Trp
Thr Arg Trp Gln
Thr Trp Phe His
C30H35N7O6 (589.2648690000001)
Thr Trp His Phe
C30H35N7O6 (589.2648690000001)
Thr Trp Gln Arg
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 Asp Asn Arg
Trp Asp Arg Asn
Trp Glu Lys Gln
Trp Glu Gln Lys
Trp Glu Gln Gln
C26H35N7O9 (589.2496140000001)
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 Gln
Trp Lys Gln Glu
Trp Lys Trp Ala
Trp Asn Asp Arg
Trp Asn Arg Asp
Trp Gln Ala Trp
C30H35N7O6 (589.2648690000001)
Trp Gln Glu Lys
Trp Gln Glu Gln
C26H35N7O9 (589.2496140000001)
Trp Gln Lys Glu
Trp Gln Gln Glu
C26H35N7O9 (589.2496140000001)
Trp Gln Arg Thr
Trp Gln Thr Arg
Trp Gln Trp Ala
C30H35N7O6 (589.2648690000001)
Trp Arg Asp Asn
Trp Arg Asn Asp
Trp Arg Gln Thr
Trp Arg Thr Gln
Trp Thr Phe His
C30H35N7O6 (589.2648690000001)
Trp Thr His Phe
C30H35N7O6 (589.2648690000001)
Trp Thr Gln Arg
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)
Tyr Asp His Arg
Tyr Asp Arg His
Tyr Phe Phe Asn
Tyr Phe Asn Phe
Tyr His Asp Arg
Tyr His Arg Asp
Tyr Met Asn Tyr
Tyr Met Tyr Asn
Tyr Asn Phe Phe
Tyr Asn Met Tyr
Tyr Asn Tyr Met
Tyr Arg Asp His
Tyr Arg His Asp
Tyr Tyr Met Asn
Tyr Tyr Asn Met
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
5-DMT-2-F-Ac-dC
5'-O-DMT-N4-Ac-2'-F-dC is a modified nucleoside and can be used to synthesize DNA or RNA.
3-[(3-Carboxycyclohexyl)carbamoyl]-4-[3-[4-(4-phenoxybutoxy)phenyl]propoxy]benzoic acid
(3R,3R,4S,6R,8S,8aS)-6-[4-(2-hydroxyethoxy)phenyl]-1,2-dioxo-3,4-diphenyl-8-spiro[1H-indole-3,7-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]carboxamide
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
beta-D-Glcp-(1->4)-alpha-D-Glcp-(1->2)-alpha-D-GlcpO[CH2]5NH2
N-[[(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]-N,4-dimethylbenzenesulfonamide
N-[[(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]-N,4-dimethylbenzenesulfonamide
N-[[(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]-N,2-dimethylbenzenesulfonamide
N-[[(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]-N,4-dimethylbenzenesulfonamide
N-[[(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]-N,4-dimethylbenzenesulfonamide
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
N-[[(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]-N-methyl-1-phenylmethanesulfonamide
N-[[(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]-N-methyl-1-phenylmethanesulfonamide
N-[[(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]-N-methyl-1-phenylmethanesulfonamide
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-[(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-[(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-[(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,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-[[(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]-N,2-dimethylbenzenesulfonamide
N-[[(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]-N,2-dimethylbenzenesulfonamide
N-[[(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]-N,3-dimethylbenzenesulfonamide
N-[[(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]-N,3-dimethylbenzenesulfonamide
N-[[(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]-N,4-dimethylbenzenesulfonamide
N-[[(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]-N,3-dimethylbenzenesulfonamide
N-[[(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]-N,2-dimethylbenzenesulfonamide
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide
C29H39N3O8S (589.2457734000001)
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-[(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-[(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)-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)-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,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-[(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-[(4R,7R,8S)-5-[(3-chlorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide
C28H36ClN5O5S (589.2125556000001)
N-[[(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]-N-methyl-1-phenylmethanesulfonamide
N-[[(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]-N-methyl-1-phenylmethanesulfonamide
N-[[(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]-N,2-dimethylbenzenesulfonamide
N-[[(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]-N,3-dimethylbenzenesulfonamide
N-[[(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]-N,3-dimethylbenzenesulfonamide
N-[[(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]-N,4-dimethylbenzenesulfonamide
N-[[(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]-N,3-dimethylbenzenesulfonamide
N-[[(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]-N,4-dimethylbenzenesulfonamide
N-[[(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]-N,2-dimethylbenzenesulfonamide
N-[[(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]-N,3-dimethylbenzenesulfonamide
N-[[(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]-N,2-dimethylbenzenesulfonamide
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)
[(2S,3R,4S,5S,6R)-2-[(1S,2S,3R,4S,6R)-3-[(2R,3R,5S,6R)-6-(acetamidomethyl)-3-amino-5-hydroxyoxan-2-yl]oxy-4,6-diamino-2-hydroxycyclohexyl]oxy-4-amino-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] dihydrogen phosphate
C20H40N5O13P (589.2360120000001)
3-[[3-acetyloxy-2-[(11Z,14Z,17Z)-icosa-11,14,17-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-aminopropanoic acid
C28H48NO10P (589.3015677999999)
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)
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"}
(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)
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)
(2s,3r,4r,6s)-4-(dimethylamino)-6-{2-[(2s,3r)-2,3-dimethyloxiran-2-yl]-11-hydroxy-5-methyl-4,7,12-trioxo-1-oxatetraphen-10-yl}-2,4-dimethyloxan-3-yl acetate
2-[(2s,2'r,3s,3's)-3,3'-dimethyl-[2,2'-bioxiran]-3-yl]-10-[(2s,4r,5r,6s)-4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-11-hydroxy-5-methyl-1-oxatetraphene-4,7,12-trione
4-(dimethylamino)-6-[2-(2,3-dimethyloxiran-2-yl)-11-hydroxy-5-methyl-4,7,12-trioxo-1-oxatetraphen-10-yl]-2,4-dimethyloxan-3-yl acetate
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
2-{3,3'-dimethyl-[2,2'-bioxiran]-3-yl}-10-[3-(dimethylamino)-4-hydroxy-3,5-dimethyloxan-2-yl]-11-hydroxy-5-methyl-1-oxatetraphene-4,7,12-trione
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)
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)