Exact Mass: 547.1844382
Exact Mass Matches: 547.1844382
Found 283 metabolites which its exact mass value is equals to given mass value 547.1844382
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Colchicoside
Doxazosin mesylate
C24H29N5O8S (547.1736754000001)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents Doxazosin mesylate (UK 33274) is a quinazoline-derivative that selectively antagonizes postsynaptic α1-adrenergic receptors.
(S)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 5-[glucosyl-(1->4)-b-D-glucoside]
(S)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 5-[glucosyl-(1->4)-b-D-glucoside] is found in cereals and cereal products. (S)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 5-[glucosyl-(1->4)-b-D-glucoside] is a constituent of rice bran Constituent of rice bran. (R)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 5-[glucosyl-(1->4)-glucoside] is found in cereals and cereal products.
Doxorubicin-semiquinone
Doxorubicin-semiquinone is a metabolite of doxorubicin. Doxorubicin is a drug used in cancer chemotherapy. It is an anthracycline antibiotic, closely related to the natural product daunomycin, and like all anthracyclines, it works by intercalating DNA. Doxorubicin is commonly used in the treatment of a wide range of cancers, including hematological malignancies, many types of carcinoma, and soft tissue sarcomas. Doxorubicins most serious adverse effect is life-threatening heart damage. (Wikipedia)
Edoxaban
C24H30ClN7O4S (547.1768410000001)
3-[(2E)-2-[(E)-4-(1,3-Dibutyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)but-2-enylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
1,4-Lactone,tris-N-benzyloxycarbonyl-(2S,3S,4R)-2,3,5-Triamino-4-hydroxypentanoic acid
3-[4-[6-(beta-D-glucopyranosyloxyuronic acid)-1-methyl-1H-benzimidazol-2-ylmethoxy]phenyl]-2-methylthiopropionic amide
methyl (2S)-6-[(beta-D-glucopyranosyl)oxy]-2,3-dihydro-5-hydroxy-1-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-1H-indole-2-carboxylate|oleracein F
10-beta-glucopyranose-12-glutamyl-1-hydroxylethanyl-beta-carboline-3-carboxylate|tunicoidine A
Cys Cys His Trp
C23H29N7O5S2 (547.1671504000001)
Cys Cys Trp His
C23H29N7O5S2 (547.1671504000001)
Cys His Cys Trp
C23H29N7O5S2 (547.1671504000001)
Cys His Trp Cys
C23H29N7O5S2 (547.1671504000001)
Cys Trp Cys His
C23H29N7O5S2 (547.1671504000001)
Cys Trp His Cys
C23H29N7O5S2 (547.1671504000001)
Asp Asp Ile Trp
Asp Asp Leu Trp
Asp Asp Trp Ile
Asp Asp Trp Leu
Asp Glu Glu Arg
C20H33N7O11 (547.2237948000001)
Asp Glu Arg Glu
C20H33N7O11 (547.2237948000001)
Asp Glu Val Trp
Asp Glu Trp Val
Asp His Asn Tyr
Asp His Tyr Asn
Asp Ile Asp Trp
Asp Ile Trp Asp
Asp Leu Asp Trp
Asp Leu Trp Asp
Asp Met Pro Trp
C25H33N5O7S (547.2100588000001)
Asp Met Trp Pro
C25H33N5O7S (547.2100588000001)
Asp Asn His Tyr
Asp Asn Asn Trp
Asp Asn Trp Asn
Asp Asn Tyr His
Asp Pro Met Trp
C25H33N5O7S (547.2100588000001)
Asp Pro Trp Met
C25H33N5O7S (547.2100588000001)
Asp Arg Glu Glu
C20H33N7O11 (547.2237948000001)
Asp Val Glu Trp
Asp Val Trp Glu
Asp Trp Asp Ile
Asp Trp Asp Leu
Asp Trp Glu Val
Asp Trp Ile Asp
Asp Trp Leu Asp
Asp Trp Met Pro
C25H33N5O7S (547.2100588000001)
Asp Trp Asn Asn
Asp Trp Pro Met
C25H33N5O7S (547.2100588000001)
Asp Trp Val Glu
Asp Tyr His Asn
Asp Tyr Asn His
Glu Asp Glu Arg
C20H33N7O11 (547.2237948000001)
Glu Asp Arg Glu
C20H33N7O11 (547.2237948000001)
Glu Asp Val Trp
Glu Asp Trp Val
Glu Glu Asp Arg
C20H33N7O11 (547.2237948000001)
Glu Glu Arg Asp
C20H33N7O11 (547.2237948000001)
Glu Arg Asp Glu
C20H33N7O11 (547.2237948000001)
Glu Arg Glu Asp
C20H33N7O11 (547.2237948000001)
Glu Val Asp Trp
Glu Val Trp Asp
Glu Trp Asp Val
Glu Trp Val Asp
Phe His Met Asn
Phe His Asn Met
Phe Met His Asn
Phe Met Asn His
Phe Asn His Met
Phe Asn Met His
His Cys Cys Trp
C23H29N7O5S2 (547.1671504000001)
His Cys Trp Cys
C23H29N7O5S2 (547.1671504000001)
His Asp Asn Tyr
His Asp Tyr Asn
His Phe Met Asn
His Phe Asn Met
His Met Phe Asn
His Met Asn Phe
His Asn Asp Tyr
His Asn Phe Met
His Asn Met Phe
His Asn Tyr Asp
His Trp Cys Cys
C23H29N7O5S2 (547.1671504000001)
His Tyr Asp Asn
His Tyr Asn Asp
Ile Asp Asp Trp
Ile Asp Trp Asp
Ile Trp Asp Asp
Leu Asp Asp Trp
Leu Asp Trp Asp
Leu Trp Asp Asp
Met Asp Pro Trp
C25H33N5O7S (547.2100588000001)
Met Asp Trp Pro
C25H33N5O7S (547.2100588000001)
Met Phe His Asn
Met Phe Asn His
Met His Phe Asn
Met His Asn Phe
Met Asn Phe His
Met Asn His Phe
Met Pro Asp Trp
C25H33N5O7S (547.2100588000001)
Met Pro Trp Asp
C25H33N5O7S (547.2100588000001)
Met Trp Asp Pro
C25H33N5O7S (547.2100588000001)
Met Trp Pro Asp
C25H33N5O7S (547.2100588000001)
Asn Asp His Tyr
Asn Asp Asn Trp
Asn Asp Trp Asn
Asn Asp Tyr His
Asn Phe His Met
Asn Phe Met His
Asn His Asp Tyr
Asn His Phe Met
Asn His Met Phe
Asn His Tyr Asp
Asn Met Phe His
Asn Met His Phe
Asn Asn Asp Trp
Asn Asn Trp Asp
Asn Trp Asp Asn
Asn Trp Asn Asp
Asn Tyr Asp His
Asn Tyr His Asp
Pro Asp Met Trp
C25H33N5O7S (547.2100588000001)
Pro Asp Trp Met
C25H33N5O7S (547.2100588000001)
Pro Met Asp Trp
C25H33N5O7S (547.2100588000001)
Pro Met Trp Asp
C25H33N5O7S (547.2100588000001)
Pro Trp Asp Met
C25H33N5O7S (547.2100588000001)
Pro Trp Met Asp
C25H33N5O7S (547.2100588000001)
Arg Asp Glu Glu
C20H33N7O11 (547.2237948000001)
Arg Glu Asp Glu
C20H33N7O11 (547.2237948000001)
Arg Glu Glu Asp
C20H33N7O11 (547.2237948000001)
Val Asp Glu Trp
Val Asp Trp Glu
Val Glu Asp Trp
Val Glu Trp Asp
Val Trp Asp Glu
Val Trp Glu Asp
Trp Cys Cys His
C23H29N7O5S2 (547.1671504000001)
Trp Cys His Cys
C23H29N7O5S2 (547.1671504000001)
Trp Asp Asp Ile
Trp Asp Asp Leu
Trp Asp Glu Val
Trp Asp Ile Asp
Trp Asp Leu Asp
Trp Asp Met Pro
C25H33N5O7S (547.2100588000001)
Trp Asp Asn Asn
Trp Asp Pro Met
C25H33N5O7S (547.2100588000001)
Trp Asp Val Glu
Trp Glu Asp Val
Trp Glu Val Asp
Trp His Cys Cys
C23H29N7O5S2 (547.1671504000001)
Trp Ile Asp Asp
Trp Leu Asp Asp
Trp Met Asp Pro
C25H33N5O7S (547.2100588000001)
Trp Met Pro Asp
C25H33N5O7S (547.2100588000001)
Trp Asn Asp Asn
Trp Asn Asn Asp
Trp Pro Asp Met
C25H33N5O7S (547.2100588000001)
Trp Pro Met Asp
C25H33N5O7S (547.2100588000001)
Trp Val Asp Glu
Trp Val Glu Asp
Tyr Asp His Asn
Tyr Asp Asn His
Tyr His Asp Asn
Tyr His Asn Asp
Tyr Asn Asp His
Tyr Asn His Asp
(S)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 5-[glucosyl-(1->4)-b-D-glucoside]
(2S,6R)-6-[[(1S)-2-[[(2R)-4-amino-2-(methylamino)-4-oxobutanoyl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,tetrahydrate
edoxaban
C24H30ClN7O4S (547.1768410000001)
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AF - Direct factor xa inhibitors C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent > C173067 - Direct Factor Xa Inhibitor C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent > C180619 - Direct Oral Anticoagulant D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors D006401 - Hematologic Agents > D000925 - Anticoagulants > D000991 - Antithrombins COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Bosutinib Monohydrate
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C155700 - BCR-ABL Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
3-[(2E)-2-[(E)-4-(1,3-Dibutyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)but-2-enylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes D003879 - Dermatologic Agents
4-[(2,3-Dimethyl-5-{[(1s)-1-(4-Nitrophenyl)ethyl]carbamoyl}-1h-Indol-1-Yl)methyl]biphenyl-2-Carboxylic Acid
SR1664 is a PPARγ antagonist. SR1664 binds to PPARγ and potently inhibits Cdk5-mediated PPARγ phosphorylation (IC50=80 nM; Ki= 28.67 nM)[1][2].
Trimethylcetylammonium pentachlorophenate
C25H42Cl5NO (547.1708871999999)
3-[(12Z,16Z)-5,20-bis(ethenyl)-4,9,15,19-tetramethyl-2-oxa-23-aza-21,22,24-triazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,7,9,11(23),12,14,16,18-decaen-10-yl]propanoic acid;iron(3+)
N(epsilon)-GMP-N(alpha)-acetyl-L-lysine methyl ester
[(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,5S,6R)-3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] dihydrogen phosphate
N-(5-acetamido-6-methoxy-6-oxohexyl)-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphonamidic acid
2-(2,6-dimethyl-4-morpholinyl)-N-[5-[6-(4-morpholinyl)-4-oxo-2-pyranyl]-9H-thioxanthen-2-yl]acetamide
[4-(Diphenylmethyl)-1-piperazinyl]-[5-thiophen-2-yl-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]methanone
C29H24F3N5OS (547.1653570000001)
beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)-D-galactitol
C20H37NO16 (547.2112242000001)
[(1R)-1-ethylsulfonyl-7-methoxy-2-(4-methylphenyl)sulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]methanol
2-[4-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine methanesulfonate
C24H29N5O8S (547.1736754000001)
3-cyano-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
N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
3-cyano-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
2-cyano-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
2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
C27H34FN3O6S (547.2152236000001)
2-cyano-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-cyano-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
3-cyano-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-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
C27H34FN3O6S (547.2152236000001)
N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(5S,6S,9R)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C26H33N3O8S (547.1988258000001)
N-[(5S,6R,9S)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C26H33N3O8S (547.1988258000001)
2-cyano-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-cyano-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-cyano-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-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
C27H34FN3O6S (547.2152236000001)
2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
C27H34FN3O6S (547.2152236000001)
(3S)-4-(3-bromophenyl)-2-[(S)-tert-butylsulfinyl]-N-cyclohexyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
(3S,6aS,8R,10aS)-8-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-3-hydroxy-N-[4-(trifluoromethyl)phenyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
3-cyano-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-cyano-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-cyano-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
N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(5S,6R,9R)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C26H33N3O8S (547.1988258000001)
N-[(5R,6R,9S)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C26H33N3O8S (547.1988258000001)
N-[(5R,6S,9S)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C26H33N3O8S (547.1988258000001)
N-[(5R,6S,9R)-8-[1,3-benzodioxol-5-yl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C26H33N3O8S (547.1988258000001)
3-cyano-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
3-cyano-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-cyano-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
4-cyano-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-cyano-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-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
C27H34FN3O6S (547.2152236000001)
2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
C27H34FN3O6S (547.2152236000001)
2-[(1S,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
C27H34FN3O6S (547.2152236000001)
2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
C27H34FN3O6S (547.2152236000001)
(3R)-4-(3-bromophenyl)-2-[(R)-tert-butylsulfinyl]-N-cyclohexyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
4-cyano-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
[(1S)-1-ethylsulfonyl-7-methoxy-2-(4-methylphenyl)sulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]yl]methanol
beta-D-GlcpNAc-(1->4)-alpha-D-Glcp2Ac6SOPr
C19H33NO15S (547.1570828000001)
beta-D-Manp-(1->2)-beta-D-Manp-(1->2)-alpha-D-Manp-O[CH2]2NH2
C20H37NO16 (547.2112242000001)
beta-D-Manp-(1->2)-beta-D-Manp-(1->2)-beta-D-Manp-O[CH2]2NH2
C20H37NO16 (547.2112242000001)
2-O-[4-O-(beta-D-Galactopyranosyl)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-D-mannitol
C20H37NO16 (547.2112242000001)
N-[(2S,3R,4S,5R)-1,3,5,6-Tetrahydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexan-2-yl]acetamide
C20H37NO16 (547.2112242000001)
beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-D-glucitol
C20H37NO16 (547.2112242000001)
N-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4S,5S)-5-[(1R)-1,2-Dihydroxyethyl]-4-hydroxy-2-[(2S,3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]oxyoxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
C20H37NO16 (547.2112242000001)
2-aminoethyl beta-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-galactopyranoside
C20H37NO16 (547.2112242000001)
N-[(2R,3R,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3R,4R,5S)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl]acetamide
C20H37NO16 (547.2112242000001)
N-[(2R,3R,4R,5S,6R)-4-Hydroxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxyhexoxy)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
C20H37NO16 (547.2112242000001)
N-[(2S,3R,4S,5R)-4-[(2S,3S,4S,5R,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,3,5,6-tetrahydroxyhexan-2-yl]acetamide
C20H37NO16 (547.2112242000001)
N-[(2S,3R,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R)-1,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]oxyoxan-3-yl]acetamide
C20H37NO16 (547.2112242000001)
N-[(2S,3R,4R,5S,6R)-4-Hydroxy-6-(hydroxymethyl)-2-[(2S,3R,4S,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
C20H37NO16 (547.2112242000001)
N-[(2R,3R,4R,5S,6R)-5-Hydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5S)-2,3,4,5,6-pentahydroxyhexoxy]-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
C20H37NO16 (547.2112242000001)
alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-D-GlcNAc-OH
C20H37NO16 (547.2112242000001)
[(2R,3R,4S,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-2-propoxy-6-(sulfooxymethyl)oxan-3-yl] acetate
C19H33NO15S (547.1570828000001)
(15e)-5,8,18,21-tetrahydroxy-20-[2-(methylsulfanyl)ethyl]-6-(sec-butyl)-2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docosa-7,15,18,21-tetraen-3-one
5,8,18,21-tetrahydroxy-20-[2-(methylsulfanyl)ethyl]-6-(sec-butyl)-2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docosa-7,15,18,21-tetraen-3-one
(21r)-12-(3,4-dihydroxyphenyl)-7,21-dihydroxy-8,16,17,18-tetramethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-3-one
15-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-6-(hydroxymethyl)-2,19,19-trimethyl-5,8,18-trioxa-2-azapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-1(22),3,9,11,14,16,20-heptaen-13-one
acrignine a; (±)-form
{"Ingredient_id": "HBIN014609","Ingredient_name": "acrignine a; (±)-form","Alias": "NA","Ingredient_formula": "C30H29NO9","Ingredient_Smile": "NA","Ingredient_weight": "547.55","OB_score": "NA","CAS_id": "149155-25-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7177","PubChem_id": "NA","DrugBank_id": "NA"}