Exact Mass: 446.1496
Exact Mass Matches: 446.1496
Found 500 metabolites which its exact mass value is equals to given mass value 446.1496
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Febantel
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
Osmanthuside A
Osmanthuside C is found in herbs and spices. Osmanthuside C is isolated from Osmanthus fragrans (sweet osmanthus). Isolated from Osmanthus fragrans (sweet osmanthus). Osmanthuside C is found in herbs and spices.
Lucuminic acid
Lucuminic acid is found in fruits. Lucuminic acid is a constituent of Calocarpum sapota (marmalade plum) Constituent of Calocarpum sapota (marmalade plum). Lucuminic acid is found in fruits.
Gefitinib
Gefitinib (originally coded ZD1839) is a drug used in the treatment of certain types of cancer. Acting in a similar manner to erlotinib (marketed as Tarceva), gefitinib selectively targets the mutant proteins in malignant cells. It is marketed by AstraZeneca under the trade name Iressa. [Wikipedia] L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EB - Epidermal growth factor receptor (egfr) tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
Febantel
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
Nesbuvir
C471 - Enzyme Inhibitor > C25995 - RNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
Monotropeoside
Monotropeoside is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Monotropeoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Monotropeoside can be found in bilberry, which makes monotropeoside a potential biomarker for the consumption of this food product.
Gaultherin
Gaultherin is a glycoside. Gaultherin is a natural product found in Gaultheria procumbens, Monotropa hypopitys, and other organisms with data available. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates Gaultherin, a natural salicylate derivative, is isolated from Gaultheria yunnanensis. Gaultherin is a non-steroidal anti-inflammatory drug (NSAID). Gaultherin has analgesic and anti-inflammatory effects and lack gastric ulcerogenic effect compared to Aspirin[1].
Daphylloside
Daphylloside is a glycoside and an iridoid monoterpenoid. Daphylloside is a natural product found in Spermacoce alata, Escallonia myrtoidea, and other organisms with data available.
4-Methyl,2-P-[beta-D-xylopyranosyl-1-6-beta-D-glucopyranoside]-2,4-Dihydroxybenzaldehyde
3-methoxy-4-[O-beta-D-apiofuranosyl-(1->6)-O-beta-D-glucopyranosyloxy]benzaldehyde|bretschneideroside A
2H-1-Benzopyran-3,4-diol, 2-(3,4-dimethoxyphenyl)-3,4-dihydro-7,8-dimethoxy-, diacetate, [2R-(2.alpha.,3.alpha.,4.alpha.)]-
(2S,4R)-7,4-dihydroxy-6,8-dimethyl-4,2-oxidoflavan-5-O-beta-D-glucopyranoside|abacopterin F
9alpha,13alpha-dihydroxyisopropylidenylisatisine A
erythritol-1-O-(6-O-trans-caffeoyl)-beta-D-glucopyranoside
benzoyl beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside
3,3,4,5,5,8-hexamethoxy-6,7-methylenedioxyflavone|Di-Me ether-3,5-Dihydroxy-3,4,5,8-tetramethoxy-6,7-methylenedioxyflavone
6-methoxy-7-hydroxy-4-O-beta-D-glucosylisoflavone|glycitein 4-O-beta-D-glucoside|glycitein 4-O-beta-glucoside|glycitein-4-O-beta-D-glucoside
7,4-dihydroxy-5-methoxyflavone-6-C-beta-D-glucopyranoside
nepodin-8-O-beta-D-(60-O-trans-crotonoyl)glucopyranoside|rumexneposide A
cinnacasolide A|methyl 3-hydoxybenzoyl-3-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside
dichotomine I|methyl 1-acetyl-8-(beta-D-glucopyranosyloxy)-9H-beta-carboline-3-carboxylate
7-O-beta-glucopyranosyl demethoxymatteucinol|demethoxymatteucinol-7-O-beta-D-glucopyranoside|demethoxymatteuocinol 7-O-glucopyranoside
5,6,6-Trimethoxy-4,10-dihydroxy-11,12-dimethyl-4,5-(epoxymethanoxy)-2,2-butanobiphenyl-3-carboxylic acid
7-beta-D-glucopyranosyloxymethyl-9-methoxy-5H-dibenzo[a,c][7]annulene-3,10-diol|subavenoside C
7-methyl-luteolin 8-C-beta-(6-deoxyxylo-3-uloside)
1-(3,5-Dimethoxy-4-hydroxyphenyl)-6,8-dimethoxy-7-hydroxy-1,2-dihydronaphthalene-2,3-dicarboxylic acid
5-Me ether,8-O-alpha-L-rhamnopyranoside-1,3,5,8-Tetrahydroxy-2-methylanthraquinone
(-)-15-methoxypodorhizol|(-)-5-methoxypodorhizol|5-Methoxypodorhizol
betabeta-Pyranose-benzyl glycoside-3-O-beta-D-Glucopyranuronosyl-D-galactose
(1R,2R)-1-(3-methoxy-4,5-methylenedioxyphenyl)-2-methyl-3-oxobutyl 3,4,5-trimethoxybenzoate|tsangin B
3-(beta-D-glucopyranosyloxy)-7-hydroxy-4-methoxyisoflavone|3-[3-(beta-D-glucopyranosyloxy)-4-methoxyphenyl]-7-hydroxy-1H-1-benzopyran-4-one|caragiside B
4-Me ether-3-Glucopyranosyl-4,5,7-trihydroxyflavone
O-beta-D-Galactopyranosyl-(1->4)-O-beta-D-galactopyranosyl-(1->2)-L-erythritol
5,7-dihydroxy-2-(3,4-dihydroxyphenyl)-3-O-alpha-rhamnosyl-4H-1-benzopyran-4-one
4-O-(6-O-p-hydroxybenzoyl-beta-D-glucopyranosyl)-cis-p-coumaric acid
3-hydroxy-5,7-dimethoxyflavone 4-O-beta-D-apiofuranoside
(1S,2R)-2-methyl-3-oxo-1-(3,4,5-trimethoxyphenyl)butyl 3-methoxy-4,5-methylenedioxybenzoate|tsangin A
7-Me ether-8-Glucopyranosyl-4,5,7,-trihydroxyflavanone
3?-Methoxy-5?-hydroxy isoflavone-7-O-beta-D-glucoside
prunitrin
Prunetin 4-O-glucoside is a glycosyloxyisoflavone that is the 4-O-beta-D-glucoside of prunetin. It is a hydroxyisoflavone, a glycosyloxyisoflavone and a member of 7-methoxyisoflavones. It is functionally related to a prunetin. Prunetin 4-O-glucoside is a natural product found in Dalbergia sissoo, Styphnolobium japonicum, and other organisms with data available. Prunetrin (Trifoside) is a soflavonoid found in above-ground and below-ground organs of red clover[1].
2-[2-(4-Methyl-2-oxo-2H-chromen-7-yloxy)-acetyl]-1,2,3,4-tetrahydro-beta-carbolin-3-ylcarboxylic acid methyl ester
5-hydroxy-8-methoxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
3-(4-hydroxyphenyl)-7-methoxy-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
4-(3-acetyl-2,6-dihydroxyphenyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid
3-(4-hydroxyphenyl)-5-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
N-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,5,8-trihydroxy-N-methyl-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide
C19H26O12_4-Acetyl-2-hydroxyphenyl 2-O-beta-D-fructofuranosyl-beta-D-xylopyranoside
C19H26O12_beta-D-Fructofuranosyl 6-O-benzoyl-alpha-D-glucopyranoside
C19H26O12_Methyl 2-{[6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranosyl]oxy}benzoate
C19H26O12_Cyclopenta[c]pyran-4-carboxylic acid, 7-[(acetyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-, methyl ester, (1S,4aS,5S,7aS)
7-O-beta-glucopyranosyl-4-hydroxy-5-methoxyisoflavone
3-(4-hydroxyphenyl)-7-methoxy-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Trichodermamide C
CONFIDENCE isolated standard
4-(3-acetyl-2,6-dihydroxyphenyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid [IIN-based: Match]
N-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,5,8-trihydroxy-N-methyl-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide [IIN-based: Match]
N-(7,8-dimethoxy-2-oxochromen-3-yl)-4a,5,8-trihydroxy-N-methyl-4,5,8,8a-tetrahydro-1,2-benzoxazine-3-carboxamide [IIN-based on: CCMSLIB00000848485]
1,2-Bis(p-(2-hydroxyethoxycarbonyl)benzoyloxy)ethane
The sample was injected by direct infusion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.
Ala Asp Asn Gln
Ala Asp Gln Asn
Ala Glu Asn Asn
Ala Asn Asp Gln
Ala Asn Glu Asn
Ala Asn Asn Glu
Ala Asn Gln Asp
Ala Gln Asp Asn
Ala Gln Asn Asp
Cys Gly His Met
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Cys Met His Gly
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Asp Ala Asn Gln
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Asp Gly Gln Gln
Asp Asn Ala Gln
Asp Asn Gln Ala
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Asp Pro Thr Asp
Asp Gln Ala Asn
Asp Gln Gly Gln
Asp Gln Asn Ala
Asp Gln Gln Gly
Asp Ser Glu Pro
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Glu Ala Asn Asn
Glu Asp Pro Ser
Glu Asp Ser Pro
Glu Gly Asn Gln
Glu Gly Gln Asn
Glu Asn Ala Asn
Glu Asn Gly Gln
Glu Asn Asn Ala
Glu Asn Gln Gly
Glu Pro Asp Ser
Glu Pro Ser Asp
Glu Gln Gly Asn
Glu Gln Asn Gly
Glu Ser Asp Pro
Glu Ser Pro Asp
Gly Cys His Met
Gly Cys Met His
Gly Asp Gln Gln
Gly Glu Asn Gln
Gly Glu Gln Asn
Gly His Cys Met
Gly His Met Cys
Gly Met Cys His
Gly Met His Cys
Gly Asn Glu Gln
Gly Asn Gln Glu
Gly Gln Asp Gln
Gly Gln Glu Asn
Gly Gln Asn Glu
Gly Gln Gln Asp
His Cys Gly Met
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Asn Gly Gln Glu
Asn Asn Ala Glu
Asn Asn Cys Pro
Asn Asn Glu Ala
Asn Asn Pro Cys
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Asn Gln Gly Glu
Pro Cys Met Pro
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Pro Asp Ser Glu
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Pro Asn Asn Cys
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Gln Ala Asp Asn
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Gln Asp Ala Asn
Gln Asp Gly Gln
Gln Asp Asn Ala
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Gln Glu Asn Gly
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Gln Asn Glu Gly
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Ser Cys His Thr
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Thr His Ser Cys
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Thr Ser His Cys
2-ETHOXYCARBONYL-5,7-DIHYDROXY-8,3,4,5-TETRAMETHOXYISOFLAVONE
Gefitinib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EB - Epidermal growth factor receptor (egfr) tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
Lucuminic acid
Osmanthuside A
Calycosin 7-galactoside
1,3,5-TRI-O-BENZOYL-2-DEOXY-2-FLUORO-α-D-ARABINOFURANOSE
hydroxyzine hydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics Hydroxyzine dihydrochloride, a benzodiazepine antihistamine agent, acts as a orally active histamine?H1-receptor and serotonin antagonist. Hydroxyzine dihydrochloride has anxiolytic effect and can be used forthe research of generalised anxiety disorder[1][2].
3-[[4-[benzylethylamino]phenyl]azo]-1,2-dimethyl-1H-1,2,4-triazolium methyl sulphate
2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid 1,1-dimethyl-2-(1-methylethoxy)-2-oxoethyl ester
ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylate
ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylate
3-ETHYL-5-[(E,2E)-1-PHENYL-4-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-2-BUTENYLIDENE]-2-THIOXO-1,3-THIAZOLIDIN-4-ONE
tributyl-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]stannane
Cloprostenol Sodium
D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D012102 - Reproductive Control Agents > D008186 - Luteolytic Agents
Cvt-6883
GS-6201 (CVT-6883) is a selective adenosine A2B receptor antagonist. GS-6201 displays high affinity and selectivity for the human adenosine A2B receptors (Ki=22 nM)[1]. GS-6201 reduces caspase-1 activity in the heart, and attenuates cardiac remodeling after acute myocardial infarction (AMI) in the mouse[2]. GS-62013 attenuates the airway reactivity induced by NECA, AMP, or allergen in sensitized mice[3].
2-(2-methylpropoxy)ethyl 2-(2-cyanoethylamino)-5-[(5-nitro-1,3-thiazol-2-yl)diazenyl]benzoate
benzene-1,3-dicarboxylic acid,furan-2,5-dione,2-(2-hydroxyethoxy)ethanol,propane-1,2-diol
GW791343
GW791343 dihydrochloride is a potent human P2X7 receptor negative allosteric modulator (exhibits species-specific activity), produces a non-competitive antagonist effect on human P2X7 receptor, with a pIC50 of 6.9-7.2. GW791343 dihydrochloride can enhance ATP rhythm. GW791343 dihydrochloride can be used in study of neurological disease[1][2].
3-Deschloro-4-Desfluoro-4-Chloro-3-Fluoro Gefitinib
POLYPHENYL ETHER (5 RINGS) OS-124, STAT. PHASE FOR GC
N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide
N-(Deoxyguanosin-8-yl)-2-aminofluorene
D009676 - Noxae > D002273 - Carcinogens
3-benzyl-4-methyl-7-[(3,4,5-trimethoxybenzyl)oxy]-2H-chromen-2-one
N-(7,8-Dimethoxy-2-oxochromen-3-YL)-4A,5,8-trihydroxy-N-methyl-4,5,8,8A-tetrahydro-1,2-benzoxazine-3-carboxamide
(2S,4R)-1-Acetyl-N-[(1S)-4-[(aminoiminomethyl)amino]-1-(2-benzothiazolylcarbonyl)butyl]-4-hydroxy-2-pyrrolidinecarboxamide
Nesbuvir
C471 - Enzyme Inhibitor > C25995 - RNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
methyl 4-[5-[(1,3-dioxoisoindol-2-yl)methyl]uran-2-yl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
(2S)-2-[[4-[[(6S)-2,4-dioxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
2-[2-[[(2S)-2-azaniumyl-2-carboxylatoethyl]amino]-2-oxoethyl]-4-[2-[(4-carboxylato-4-oxobutanoyl)amino]ethylamino]-2-hydroxy-4-oxobutanoate
2-[2-[4-[(4-Chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol;hydron;dichloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D003879 - Dermatologic Agents > D000982 - Antipruritics
3-L-valyl-AMP
An L-valyl ester obtained by formal condensation of the carboxy group of L-valine with the 3-hydroxy group of AMP.
2-[4-[(E)-3-[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]prop-2-enoyl]phenoxy]acetic acid
4-[2-Nitro-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]phenyl]morpholine
2-[3-(3,4-Dimethoxyphenyl)-2,4-dioxo-1-quinazolinyl]acetic acid (phenylmethyl) ester
2-[(4-Chloro-3-nitrophenyl)-oxomethyl]benzoic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester
N-[2-(cyclohexylthio)ethyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
1-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide
ethyl 6-amino-5-cyano-2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-4-phenyl-4H-pyran-3-carboxylate
N-[5-[2-(2,5-dimethoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-2-methylpentanamide
5-[(2-{[(3S)-5-{[(2S)-2-azaniumyl-2-carboxylatoethyl]amino}-3-carboxylato-3-hydroxy-5-oxopentanoyl]amino}ethyl)amino]-2,5-dioxopentanoate
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(1E)-1-(4-methylphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[2-(4-morpholinyl)phenyl]acetamide
N-[2-[(2S,5R,6S)-5-[[(4-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide
N-[2-[(2R,5S,6R)-5-[[(4-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide
N-[2-[(2S,5S,6S)-5-[[(4-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide
N-[2-[(2S,5S,6R)-5-[[(4-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide
N-[2-[(2S,5R,6R)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide
[(1S,2aR,8bR)-1-(hydroxymethyl)-4-[(3-methoxyphenyl)-oxomethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-fluorophenyl)methanone
[(1R,2aR,8bR)-1-(hydroxymethyl)-4-[(3-methoxyphenyl)-oxomethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-fluorophenyl)methanone
N-[2-[(2R,5R,6R)-5-[(4-chlorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-2-pyridin-2-ylacetamide
(2R)-2-[(4S,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
N-[2-[(2R,5R,6S)-5-[[(4-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide
2-[(1S,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1S,3R,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1S,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
(1S,2aS,8bS)-N-(3-fluorophenyl)-1-(hydroxymethyl)-2-[1-oxo-2-(2-pyridinyl)ethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
(1R,2aR,8bR)-N-(2-fluorophenyl)-1-(hydroxymethyl)-2-[1-oxo-2-(3-pyridinyl)ethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
(1S,2aS,8bS)-N-(2-fluorophenyl)-1-(hydroxymethyl)-2-[1-oxo-2-(3-pyridinyl)ethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
[(1R,2aS,8bS)-1-(hydroxymethyl)-4-[(3-methoxyphenyl)-oxomethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-fluorophenyl)methanone
[(1S,2aS,8bS)-1-(hydroxymethyl)-4-[(3-methoxyphenyl)-oxomethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-fluorophenyl)methanone
(6R,7S,8S)-N-(2-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
(6R,7R,8S)-N-(2-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
(2R)-2-[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4S,5S)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
N-[2-[(2R,5S,6S)-5-[[(4-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide
2-[(1R,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1R,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1R,3R,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1R,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1S,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
(1S,2aR,8bR)-N-(3-fluorophenyl)-1-(hydroxymethyl)-2-[1-oxo-2-(2-pyridinyl)ethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
(1R,2aR,8bR)-N-(3-fluorophenyl)-1-(hydroxymethyl)-2-[1-oxo-2-(2-pyridinyl)ethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
(1R,2aS,8bS)-N-(3-fluorophenyl)-1-(hydroxymethyl)-2-[1-oxo-2-(2-pyridinyl)ethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
(1R,2aS,8bS)-N-(2-fluorophenyl)-1-(hydroxymethyl)-2-[1-oxo-2-(3-pyridinyl)ethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
(1S,2aR,8bR)-N-(2-fluorophenyl)-1-(hydroxymethyl)-2-[1-oxo-2-(3-pyridinyl)ethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
(6R,7S,8R)-N-(2-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
(6S,7S,8S)-N-(2-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
(6S,7S,8R)-N-(2-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
(6R,7R,8R)-N-(2-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
(6S,7R,8R)-N-(2-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
7,8-dimethoxy-2-phenyl-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
methyl (3R)-2-{[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
4-(3-Acetyl-2,6-dihydroxyphenyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid
[2-Hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] heptanoate
staphyloferrin B(2-)
A tricarboxylic acid dianion obtained by deprotonation of the three carboxy groups and protonation of the amino group of staphyloferrin B; major species at pH 7.3.
OGT-IN-2
OGT-IN-2 (compound 4) is a potent O-GlcNAc transferase (OGT) inhibitor, with IC50 values of 30 and 53 μM for sOGT and ncOGT, respectively[1].
(2r,3r,4s)-2,3,10,10-tetramethyl-6-oxo-8-phenyl-3,4-dihydro-2h-1,5,9-trioxatriphenylen-4-yl acetate
3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl benzoate
2-methyl-3-oxo-1-(3,4,5-trimethoxyphenyl)butyl 7-methoxy-2h-1,3-benzodioxole-5-carboxylate
(2r,5s,6r)-6-(2h-1,3-benzodioxol-5-yl)-2-hydroxy-10,12-dimethoxy-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-trien-3-one
6-(2h-1,3-benzodioxol-5-yl)-2-hydroxy-10,12-dimethoxy-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-trien-3-one
methyl 2-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}benzoate
(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl benzoate
methyl 7-[(acetyloxy)methyl]-6-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h-cyclopenta[c]pyran-4-carboxylate
methyl 2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzoate
3-(hydroxymethyl)-4-[(7-methoxy-2h-1,3-benzodioxol-5-yl)(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
[(2r,3s,4s,5r,6s)-6-[(7-acetyl-8-hydroxy-6-methylnaphthalen-1-yl)oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-but-2-enoate
[(2r,3s,4s,5r)-3,4,5-trihydroxy-6-(4-hydroxy-2,3-dimethylphenoxy)oxan-2-yl]methyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
(9r,10r,11r)-5,11-dihydroxy-3,4,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaene-6-carboxylic acid
10-acetoxymajoroside
{"Ingredient_id": "HBIN000045","Ingredient_name": "10-acetoxymajoroside","Alias": "NA","Ingredient_formula": "C19H26O12","Ingredient_Smile": "CC(=O)OCC1=C2C(CC1O)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC","Ingredient_weight": "446.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "250","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101006028","DrugBank_id": "NA"}
1′-O-benzoylsucrose
{"Ingredient_id": "HBIN002845","Ingredient_name": "1\u2032-O-benzoylsucrose","Alias": "NA","Ingredient_formula": "C19H26O12","Ingredient_Smile": "C1=CC=C(C=C1)C(=O)OCC2(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32417","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}