Exact Mass: 324.0796
Exact Mass Matches: 324.0796
Found 500 metabolites which its exact mass value is equals to given mass value 324.0796,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Furaltadone
D000890 - Anti-Infective Agents > D023303 - Oxazolidinones C254 - Anti-Infective Agent > C52588 - Antibacterial Agent
Prazepam
Prazepam is only found in individuals that have used or taken this drug. It is a benzodiazepine that is used in the treatment of anxiety disorders. It is a schedule IV drug in the U.S. Prazepam is believed to stimulate GABA receptors in the ascending reticular activating system. Since GABA is inhibitory, receptor stimulation increases inhibition and blocks both cortical and limbic arousal following stimulation of the brain stem reticular formation. D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Sterigmatocystin
Sterigmatocystin is a mycotoxin of Aspergillus versicolor and Chaetomium species Sterigmatocystin is a poison of the type dermatoxin, from the fungi genus Aspergillus. It appears on crusts of cheese with mold. Sterigmatocystin is a toxic metabolite structurally closely related to the aflatoxins (compare general fact sheet number 2), and consists of a xanthone nucleus attached to a bifuran structure. Sterigmatocystin is mainly produced by the fungi Aspergillus nidulans and A. versicolor. It has been reported in mouldy grain, green coffee beans and cheese although information on its occurrence in foods is limited. It appears to occur much less frequently than the aflatoxins, although analytical methods for its determination have not been as sensitive until recently, and so it is possible that small concentrations in food commodities may not always have been detected. Although it is a potent liver carcinogen similar to aflatoxin B1, current knowledge suggests that it is nowhere near as widespread in its occurrence. If this is the true situation it would be justified to consider sterigmatocystin as no more than a risk to consumers in special or unusual circumstances. Sterigmatocystin is a number of closely related compounds such o-methyl sterigmatocystin are known and some may also occur naturally. The IARC-classification of sterigmatocystin is group 2B, which means it is possibly carcinogenic to humans. In practice, the risk is quite low however, because this substance only appears on cheese crusts with mold, and because of that the chance of daily exposure is very low. Sterigmatocystin is a molded crust is best not to be consumed in whole, but after removing the crust, the cheese can still be consumed. Sterigmatocystin is a different kind of mold than that which appears on cheese itself, which can simply be removed before further consumption D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2320
Cyazofamid
Pyochelin
A member of the class of thiazolidines that is (4R)-3-methyl-1,3-thiazolidine-4-carboxylic acid which is substituted at position 2 by a (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl group. A siderophore that is produced by Pseudomonas aeruginosa (via condensation of salicylic acid and two molecules of cysteine) as a mixture of two easily interconvertible diastereoisomers, pyochelin I (major) and pyochelin II (minor). The enantiomeric compounds, enant-pyochelin, are produced by Pseudomonas fluorescens. D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
Acetohexamide
Acetohexamide is only found in individuals that have used or taken this drug. It is a sulfonylurea hypoglycemic agent that is metabolized in the liver to 1-hydrohexamide. [PubChem]Sulfonylureas such as acetohexamide bind to an ATP-dependent K+ channel on the cell membrane of pancreatic beta cells. This inhibits a tonic, hyperpolarizing outflux of potassium, which causes the electric potential over the membrane to become more positive. This depolarization opens voltage-gated Ca2+ channels. The rise in intracellular calcium leads to increased fusion of insulin granulae with the cell membrane, and therefore increased secretion of (pro)insulin. A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BB - Sulfonylureas C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent D007004 - Hypoglycemic Agents
N-(6-Cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N-methylethanesulfonamide
D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D049990 - Membrane Transport Modulators
Mycocyclosin
An organic heterotetracyclic compound obtained via intramolecular oxidative aromatic coupling of cyclo(L-tyrosyl-L-tyrosyl). D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D054659 - Diketopiperazines
Chromanol 293B
D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D049990 - Membrane Transport Modulators
4-hydroxyalprazolam
4-Hydroxyalprazolam is a metaboltie of Alprazolam. Alprazolam (trade name Xanax, available among other generic names) is a short-acting anxiolytic of the benzodiazepine class of psychoactive drugs. Alprazolam is extensively metabolized in humans, primarily by cytochrome P450 3A4 (Cyp3A4), to two major metabolites in plasma: 4-hydroxyalprazolam and α- hydroxyalprazolam. (Wikipedia)
Alpha-hydroxyalprazolam
Alpha-hydroxyalprazolam is a metabolite of both alprazolam and adinazolam. Alprazolam (trade name Xanax, available among other generic names) is a short-acting anxiolytic of the benzodiazepine class of psychoactive drugs. Alprazolam, like other benzodiazepines, binds to specific sites on the GABAA gamma-amino-butyric acid receptor. Adinazolam (marketed under the brand name Deracyn) is a benzodiazepine derivative. It possesses anxiolytic, anticonvulsant, sedative, and antidepressant properties. Adinazolam was developed by Dr. Jackson B. Hester, who was seeking to enhance the antidepressant properties of alprazolam, which he also developed. (Wikipedia) Alpha-hydroxyalprazolam belongs to the family of Benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
Moracin K
Production by Morus alba (white mulberry) infected with Fusarium solani. Moracin K is found in mulberry and fruits. Moracin K is found in fruits. Moracin K is produced by Morus alba (white mulberry) infected with Fusarium solani.
6-Chlorocatechin
6-Chlorocatechin is a constituent of the roots of Rumex patientia (patience dock). Constituent of the roots of Rumex patientia (patience dock)
Grevilline A
Grevilline A is found in mushrooms. Grevilline A is a pigment from Suillus grevillei (larch bolete
4-Hydroxywarfarin
D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins
S-6-Hydroxywarfarin
S-6-Hydroxywarfarin is only found in individuals that have used or taken Warfarin. S-6-Hydroxywarfarin is a metabolite of Warfarin. S-6-hydroxywarfarin belongs to the family of Chromones. These are compounds containing a benzopyran-4-one moiety.
S-4'-Hydroxywarfarin
S-4-Hydroxywarfarin is only found in individuals that have used or taken Warfarin. S-4-Hydroxywarfarin is a metabolite of Warfarin. S-4-hydroxywarfarin belongs to the family of Chromones. These are compounds containing a benzopyran-4-one moiety.
R-4'-Hydroxywarfarin
R-4-Hydroxywarfarin is only found in individuals that have used or taken Warfarin. R-4-Hydroxywarfarin is a metabolite of Warfarin. R-4-hydroxywarfarin belongs to the family of Chromones. These are compounds containing a benzopyran-4-one moiety.
R-6-Hydroxywarfarin
R-6-Hydroxywarfarin is only found in individuals that have used or taken Warfarin. R-6-Hydroxywarfarin is a metabolite of Warfarin. R-6-hydroxywarfarin belongs to the family of Chromones. These are compounds containing a benzopyran-4-one moiety.
R-10-Hydroxywarfarin
R-10-Hydroxywarfarin is only found in individuals that have used or taken Warfarin. R-10-Hydroxywarfarin is a metabolite of Warfarin. R-10-hydroxywarfarin belongs to the family of Chromones. These are compounds containing a benzopyran-4-one moiety.
R-8-Hydroxywarfarin
R-8-Hydroxywarfarin is only found in individuals that have used or taken Warfarin. R-8-Hydroxywarfarin is a metabolite of Warfarin. R-8-hydroxywarfarin belongs to the family of Chromones. These are compounds containing a benzopyran-4-one moiety.
R-7-Hydroxywarfarin
R-7-Hydroxywarfarin is only found in individuals that have used or taken Warfarin. R-7-Hydroxywarfarin is a metabolite of Warfarin. R-7-hydroxywarfarin belongs to the family of Chromones. These are compounds containing a benzopyran-4-one moiety.
Mahaleboside
Mahaleboside is found in fruits. Mahaleboside is a constituent of Prunus mahaleb (mahaleb cherry). Constituent of Prunus mahaleb (mahaleb cherry). Mahaleboside is found in fruits.
(2R)-2-Acetamido-3-[[(2R)-2-acetamido-2-carboxyethyl]disulfanyl]propanoic acid
(R)-6-Hydroxywarfarin
D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins
Vorozole
L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BG - Aromatase inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D047072 - Aromatase Inhibitors D000970 - Antineoplastic Agents
(4-Acetamidophenyl) (2S)-2-acetamido-4-methylsulfanylbutanoate
Bicisate
3-((4-(5-(Hydroxymethyl)-2-oxo-3-oxazolidinyl)phenoxy)methyl)benzonitrile
2-(2-Hydroxyethoxy)-6-(2H-tetrazol-5-yl)xanthen-9-one
Difructose anhydride III
N-(N-Formyl-L-methionyl)-L-phenylalanine
Furaltadone
Glucose pyruvate acetate
2,2-Dimethyl-4-(4-methylsulfonylphenyl)-5-propoxyfuran-3-one
Pyochelin
D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
Ribavirin monophosphate
2-Amino-3-[[(2R)-2-carboxy-2-(diacetylamino)ethyl]disulfanyl]propanoic acid
Skimmin
Skimmin is a member of the class of compounds known as coumarin glycosides. Coumarin glycosides are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety. Skimmin is soluble (in water) and a very weakly acidic compound (based on its pKa). Skimmin can be found in sweet potato, which makes skimmin a potential biomarker for the consumption of this food product. Skimmin is a glucoside of umbelliferone . Skimmin (Umbelliferone glucoside) is a coumarin found in Hydrangea paniculata, inhibits immune complex deposition, with anti-inflammatory activity[1]. Skimmin (Umbelliferone glucoside) is a coumarin found in Hydrangea paniculata, inhibits immune complex deposition, with anti-inflammatory activity[1].
(-)-Homoeriodictyol, sodium salt
It is used as a food additive .
Skimmin
Skimmin is a member of coumarins and a glycoside. Skimmin is a natural product found in Artemisia ordosica, Astragalus brachycarpus, and other organisms with data available. Skimmin (Umbelliferone glucoside) is a coumarin found in Hydrangea paniculata, inhibits immune complex deposition, with anti-inflammatory activity[1]. Skimmin (Umbelliferone glucoside) is a coumarin found in Hydrangea paniculata, inhibits immune complex deposition, with anti-inflammatory activity[1].
2,3,5,8,10-Pentahydroxy-3-methyl-6-methoxy-1,2,3,4,4a,9a-hexahydroanthracene-9(10H)-one
3,4-Methylenedioxy-2-methoxy-[2,3:4,3]-dihydrochalcone
SSR180711
CONFIDENCE standard compound; INTERNAL_ID 540; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6821; ORIGINAL_PRECURSOR_SCAN_NO 6820 CONFIDENCE standard compound; INTERNAL_ID 540; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6858; ORIGINAL_PRECURSOR_SCAN_NO 6856 CONFIDENCE standard compound; INTERNAL_ID 540; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6861; ORIGINAL_PRECURSOR_SCAN_NO 6859 CONFIDENCE standard compound; INTERNAL_ID 540; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6885; ORIGINAL_PRECURSOR_SCAN_NO 6883 CONFIDENCE standard compound; INTERNAL_ID 540; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6890; ORIGINAL_PRECURSOR_SCAN_NO 6888 CONFIDENCE standard compound; INTERNAL_ID 540; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6898; ORIGINAL_PRECURSOR_SCAN_NO 6895
4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3H-benzo[f]isobenzofuran-1-one
1-(4-Methoxy-benzofuran-5-yl)-3-(1,3-benzodioxol-5-yl)propan-1-one
Di-Me ether-3-Acetyl-1,8-dihydroxy-2-methylphenanthraquinone
1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
1,2-Dihydro,1-hydroxy-(8alpha,9beta)-form-1,7,8,9-Tetrahydro-1,9-dihydroxy-4-methoxy-5-methyl-8-(1-methylethenyl)-3H-furo[3,4-f][1]benzopyran-3-one,
8-(3,4-dimethoxyphenyl)-2-methoxynaphtho-1,4-quinone
2-(4-carboxy-3-methoxystyryl)-2-methoxysuccinic acid|5-(4-carboxy-3-methoxyphenyl)-3-methoxy-3-carboxy-4-pentenoic acid
(2E,8E)-2,8-Decadiene-4,6-diyne-1,10-diol 1-O-??-D-glucopyranoside|(2E,8E)-deca-2,8-diene-4,6-diyne-1,10-diol 1-O-beta-D-glucopyranoside
1,8-dihydroxy-3-isoprenyloxy-6-methylanthraquinone
O-beta-D-Xylopyranoside-(R)-5,6,7,8-Tetrahydro-6-hydroxy-2-naphthalenecarboxylic acid
3-(4-Methoxyphenyl)-2-methyl-4-oxo-4H-chromen-7-yl acetate
Atromentin
A member of the class of dihydroxy-1,4-benzoquinones that is 2,5-dihydroxycyclohexa-2,5-diene-1,4-dione which is substituted by a 4-hydroxyphenyl group at positions 3 and 6. It is a mushroom pigment isolated from several fungi species and acts as a smooth muscle stimulant, and exhibits anticoagulant, antibacterial and antineoplastic properties.
2-(4-Acetoxyphenyl)-3-methyl-7-methoxybenzofuran-5-carbaldehyde
1-(4-hydroxybenzofuran-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
3(R)-deca-4,6,8-triyne-1,3-diol 1-O-beta-D-glucopyranoside|bidensyneoside B
2-(4-hydroxy-3-methoxyphenyl)-1,3-propanediol triacetate
5H-benzo[g]-1,3-benzodioxolo[5,6,4]quinoline-6,7,7a,8-tetrahydro-7-nitroso-10-methoxy-(7aR)|N-nitrosoxylopine
6-O-Desmethylterphenyllin
A para-terphenyl that is the 6-O-desmethyl deriavtive of terphenyllin. Isolated from Penicillium chermesinum, it exhibits inhibitory activity against alpha-glucosidase.
Methyl 2-benzyl-4-hydroxy-5-oxo-3-phenyl-2,5-dihydro-2-furoate
3-O-trans-p-methoxycinnamoyl-alpha-L-rhamnopyranose
2-(3,4-methylenedioxyphenyl)-5-[(E)-3-hydroxy-1-propenyl]-7-methoxybenzofuran|zanthocapensol
7-hydroxy-12-methoxy-2,2-dimethyl-2H-pyrano[3,2-b]xanthen-6-one|linixanthone B
9,10-Dioxo-9,10-dihydroanthracene-1,2-diyl diacetate
5-Methoxy-6-methoxy-7-(2,3-dihydroxy-3-methylbutoxy)coumarin
5-(4-hydroxyphenethenyl)-4,7-dimethoxycoumarin|5-(4-hydroxyphenylethenyl)-4,7-dimethoxycoumarin
3-(2-benzo[1,3]dioxol-5-yl-benzofuran-5-yl)-propionic acid methyl ester|methyl 3-[2-(3,4-methylenedioxyphenyl)-5-benzofuranyl]propionate
3-(4-hydroxy-3-methoxyphenyl)-1,2-propanediol triacetate
6-Methyl-7-(3,4-dimethoxyphenyl)-5H-indeno[5,6-d]-1,3-dioxole-5-one
6,9-dihydroxy-7,8-dimethoxy-2-propyl-2,3,3a,9b-tetrahydro-furo[3,2-c]isochromen-5-one|Hydroxymonocerin
Sterigmatocystin
An organic heteropentacyclic compound whose skeleton comprises a xanthene ring system ortho-fused to a dihydrofuranofuran moiety. The parent of the class of sterigmatocystins. D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Reference Standard (Level 1)
7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
prazepam
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
acetohexamide
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BB - Sulfonylureas C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent D007004 - Hypoglycemic Agents CONFIDENCE standard compound; INTERNAL_ID 894; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4168; ORIGINAL_PRECURSOR_SCAN_NO 4165 CONFIDENCE standard compound; INTERNAL_ID 894; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4170; ORIGINAL_PRECURSOR_SCAN_NO 4165 CONFIDENCE standard compound; INTERNAL_ID 894; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4125; ORIGINAL_PRECURSOR_SCAN_NO 4121 CONFIDENCE standard compound; INTERNAL_ID 894; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4143; ORIGINAL_PRECURSOR_SCAN_NO 4140 CONFIDENCE standard compound; INTERNAL_ID 894; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4151; ORIGINAL_PRECURSOR_SCAN_NO 4150 ORIGINAL_PRECURSOR_SCAN_NO 4163; CONFIDENCE standard compound; INTERNAL_ID 894; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4165 CONFIDENCE standard compound; INTERNAL_ID 894; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4165; ORIGINAL_PRECURSOR_SCAN_NO 4163 CONFIDENCE standard compound; INTERNAL_ID 894; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8394; ORIGINAL_PRECURSOR_SCAN_NO 8389 CONFIDENCE standard compound; INTERNAL_ID 894; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8413; ORIGINAL_PRECURSOR_SCAN_NO 8409 CONFIDENCE standard compound; INTERNAL_ID 894; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8458; ORIGINAL_PRECURSOR_SCAN_NO 8454 CONFIDENCE standard compound; INTERNAL_ID 894; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8489; ORIGINAL_PRECURSOR_SCAN_NO 8485 CONFIDENCE standard compound; INTERNAL_ID 894; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8471; ORIGINAL_PRECURSOR_SCAN_NO 8468
7-HYDROXYWARFARIN
D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins
4-Hydroxywarfarin
D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins
(2R,2R)-3,3-disulfanediylbis(2-acetamidopropanoic acid)
Grevilline A
Bualta
7,7,8,8-TETRACYANO-2,5-BIS(2-HYDROXYETHOXY)QUINODIMETHANE
3-[3-(4-chloro-phenyl)-1-phenyl-1h-pyrazol-4-yl]-acrylic acid
6-(3-Hydroxyprop-1-ynyl)-1-(4-methoxybenzyl)-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one
6-(Benzyloxy)-4-hydroxy-7-methoxy-2-naphthoic acid
1-(2-CHLOROBENZYLOXY)-3-(3-CHLORO-4-METHYLPHENYL)UREA
2,6-Difluoro-3-(3,5-dimethoxybenzyloxy)phenylboronic acid
Rivizor
L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BG - Aromatase inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D047072 - Aromatase Inhibitors C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents
5-(4-METHYLSULFANYL-PHENYL)-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER
Sumacetamol
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
7-(BENZYLOXY)-4-CHLORO-6-METHOXYQUINOLINE-3-CARBONITRILE
4-hydroxy-1-methyl-3-[(3-nitrophenyl)azo]-2-quinolone
1H-Pyrrolo[2,3-b]pyridine, 1-(phenylsulfonyl)-5-(1H-pyrazol-4-yl)-
6-(N-TRIFLUOROACETYL)AMINOCAPROIC ACID N-SUCCINIMIDYL ESTER
methanesulfonic acid,2-(4-phenylmethoxyphenyl)ethanol
4-(4-Methylpiperazinylmethyl)benzoyl chloride dihydrochloride
4-[(4-Methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride
(3AR,4R,5R,6AS)-4-((E)-3,3-DIFLUORO-4-PHENOXYBUT-1-EN-1-YL)-5-HYDROXYHEXAHYDRO-2H-CYCLOPENTA[B]FURAN-2-ONE
6-(Benzyloxy)-4-chloro-7-methoxy-3-quinolinecarbonitrile
ETHYL 1-BENZYL-4-HYDROXY-2-OXO-1,2-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE
Ethyl 4-hydroxy-7-methyl-2-oxo-1-phenyl-1,2-dihydro-1,8-naphthyridine-3-carboxylate
10-HYDROXYWARFARIN
D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins
N-{4-[(1-Acetyl-4-piperidinyl)carbonyl]phenyl}methanesulfonamide
5-(3-chloro-2-fluorobenzyl)-2,4-diMethoxybenzoic acid
3-bromo-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
4-HYDROXY-1-METHYL-2-OXO-1,2-DIHYDRO-QUINOLINE-3-CARBOXYLIC ACID (3-METHOXY-PHENYL)-AMIDE
1,7-Dioxaspiro[4.4]nonane-2,6-dione,8-[(1S)-1,2-dihydroxyethyl]-9-hydroxy-4-(4-hydroxyphenyl)-, (4R,5S,8R,9R)-(9CI)
1-(4-TRIFLUOROMETHYL-BENZYL)-PYRROLIDIN-3-YLAMINEDIHYDROCHLORIDE
1,3-Bis((3-methyl-2,5-dioxopyrrol-1-yl)methyl)benzol
10-(2,5-Dihydroxyphenyl)-10H-9-Oxa-10-Phospha-Phenantbrene-10-Oxide
Vinylidene chloride, methyl acrylate, glycidyl methacrylate polymer
CHLOROPHOSPHORIC ACID BIS(2,6-DIMETHYLPHENYL) ESTER
5,5-dimethyl-2-[[(2-phenoxyacetyl)amino]methyl]-1,3-thiazolidine-4-carboxylic acid
N,N-(2-Chloro-5-methyl-1,4-phenylene)bis(3-oxobutyramide)
2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide
(3Z)-1-methyl-3-[(4-nitrophenyl)hydrazinylidene]quinoline-2,4-dione
(2-methyl-4-phenyl-thiazol-5-yl)-carbamic acid benzyl ester
Nacubactam
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic C471 - Enzyme Inhibitor
(2r,4r)-2-[(4r)-2-(2-Hydroxyphenyl)-4,5-Dihydro-1,3-Thiazol-4-Yl]-3-Methyl-1,3-Thiazolidine-4-Carboxylic Acid
D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
9H-Xanthen-9-one, 2-(2-hydroxyethoxy)-6-(1H-tetrazol-5-yl)-
Diethyl 2,2-(1,2-ethanediyldiimino)bis(3-sulfanylpropanoate)
N-tert-butyl-2-[[4-(4-fluorophenyl)-2-thiazolyl]thio]acetamide
2-Amino-5-[(1-Methoxy-2-Methylindolizin-3-Yl)carbonyl]benzoic Acid
5-Methoxy-4-[(2-methoxyphenyl)sulfanyl]-2-phenylpyrimidine
N-[4-(4-morpholinyl)phenyl]-2-thiophenesulfonamide
N-(3-fluorophenyl)-2-oxo-4,10-dihydro-3H-pyrimido[1,2-a]benzimidazole-4-carboxamide
N-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-1H-indole-3-carbohydrazide
Pyochelin II
A pyochelin that has S-stereochemistry at the thioaminal centre; the diastereoisomer with R-stereochemistry at this centre is pyochelin I. Pseudomonas aeruginosa produces a mixture of pyochelin I (major) and pyochelin I (minor) via condensation of salicylic acid and two molecules of cysteine. The enantiomeric compounds, enant-pyochelin I and II, are produced by Pseudomonas fluorescens.
Ribavirin monophosphate
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D004791 - Enzyme Inhibitors
5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione
(5z)-12-Chloro-13,15-Dihydroxy-4,7,8,9-Tetrahydro-2-Benzoxacyclotridecine-1,10(3h,11h)-Dione
5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
(4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-4H-pyrazole-3-carboxamide
(5e)-12-Chloro-13,15-Dihydroxy-4,7,8,9-Tetrahydro-2-Benzoxacyclotridecine-1,10(3h,11h)-Dione
N-(4-{[amino(imino)methyl]amino}butyl)-2,4-bi-1,3-thiazole-4-carboxamide
1-[2-Deoxyribofuranosyl]-2,4-difluoro-5-methyl-benzene-5monophosphate
(R)-7-Hydroxywarfarin
D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins
2-Amino-3-[[(2R)-2-carboxy-2-(diacetylamino)ethyl]disulfanyl]propanoic acid
(4aR,12bR)-4a,7,8-trihydroxy-3-methyl-5,12b-dihydro-4H-benzo[a]anthracene-1,6-dione
(1r,4r,5s,6s,7r,10r,11s,12s)-1,7-Bis(Hydroxymethyl)-2,8,13,14-Tetraoxatricyclo[8.2.1.1~4,7~]tetradecane-5,6,11,12-Tetrol
3,6-anhydro-alpha-L-galactopyranosyl-(1->3)-D-galactose
3,8,10,11-tetrahydroxy-1-methyl-12H-benzo[b]xanthen-12-one
(2-Oxo-3-phosphonooxypropyl) 7-methyl-3-oxooctanoate
(2S,4S)-2-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidine-4-carboxylic acid
alpha-D-fructofuranose beta-D-fructofuranose 1,2:1,2-dianhydride
3-Hydroxy-6-(4-hydroxybenzylidene)-4-(4-hydroxyphenyl)-2H-pyran-2,5(6H)-dione
[2-[2,3,4,5-Tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]acetyl] 2-oxopropaneperoxoate
(1E,6E)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
N,N-((1Z,3Z)-1,4-bis(4-hydroxyphenyl)buta-1,3-diene-2,3-diyl)diformamide
A natural product found particularly in Aspergillus fumigatus and Penicillium notatum.
N4-(3-chlorophenyl)-6-methyl-N2-(phenylmethyl)pyrimidine-2,4-diamine
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone
N-benzoyl-2-(3-pyridinyl)-4-thiazolecarbohydrazide
2-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carbonitrile
5,6-Dihydrothymidine 5-monophosphate
A pyrimidine 2-deoxyribonucleoside 5-monophosphate having dihydrothymine as the nucleobase.
N-[4-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide
N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-chloro-2-methyl-3-pyrazolecarboxamide
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide
N-[4-(4-ethylphenyl)-2-thiazolyl]carbamic acid phenyl ester
3-nitro-N-[(1-oxopentylhydrazo)-sulfanylidenemethyl]benzamide
1-Phenylmethoxy-4-prop-2-enoxyquinoxaline-2,3-dione
1,3-Benzothiazol-2-yl-[4-(2-pyridinyl)-1-piperazinyl]methanone
N-[4-[2-[(6-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide
5-bromo-3-hydroxy-3-(4-methyl-1-piperidinyl)-1H-indol-2-one
1-(4-Bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione
1-[4-(Difluoromethylthio)phenyl]-3-(phenylmethyl)thiourea
3-methyl-N-[[(4-nitrobenzoyl)amino]carbamothioyl]butanamide
N-[2-(4-methylphenoxy)-1-oxoethyl]-2-benzofurancarbohydrazide
2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-N-(2-pyridinylmethyl)acetamide
2-(4-Chlorophenyl)-5-[2-(2-pyridinyl)ethylamino]-4-oxazolecarbonitrile
6-Amino-4-(1-cyclohex-2-enyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
2-[[(5-Ethyl-2-thiophenyl)-oxomethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester
1-(5-Chloro-2-methoxyphenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]ethanone
2-[5-(2-Fluorophenyl)-2-furanyl]-3-hydroxy-1,2-dihydroquinazolin-4-one
2-[5-(3-Fluorophenyl)-2-furanyl]-3-hydroxy-1,2-dihydroquinazolin-4-one
Methyl 6-{[4-(trifluoromethyl)anilino]carbonyl}nicotinate
2-(2,1,3-Benzothiadiazol-5-yl)-5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole
N-(6-methyl-4-oxo-1H-quinazolin-2-yl)-4-nitrobenzamide
[(8S,9R,10S)-9-(4-bromophenyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
Zofenoprilat(1-)
A monocarboxylic acid anion that is the conjugate base of zofenoprilat, obtained by deprotonation of the carboxy group.
alpha-N-(9-beta-D-ribofuranosylpurin-6-yl)glycinamide
N-glycoloyl-alpha-neuraminate
An N-glycoloylneuraminate that is conjugate base of N-glycoloyl-alpha-neuraminic acid arising from the deprotonation of the carboxy group. Major microspecies at pH 7.3.
alpha-D-Fructofuranose beta-D-fructopyranose 1,2:2,1-dianhydride
3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxane-2-carboxylic acid
4-Hydroxy-3-[1-(2-hydroxyphenyl)-3-oxobutyl]chromen-2-one
1-[(1S,2S)-2-[(2,5-dichlorophenyl)methoxy]cyclohexyl]imidazole
S-(2,5-Diacetoxy-3,4,6-trimethyl-phenylmethyl)thioacetate
Levofuraltadona
C254 - Anti-Infective Agent > C52588 - Antibacterial Agent
bis-beta-D-fructofuranose 1,2:2,3-dianhydride
A sugar dianhydride obtained by the condensation of two units of beta-D-fructofuranose.
pyochelin I
A pyochelin that has R-stereochemistry at the thioaminal centre; the diastereoisomer with S-stereochemistry at this centre is pyochelin II. Pseudomonas aeruginosa produces a mixture of pyochelin I (major) and pyochelin II (minor) via condensation of salicylic acid and two molecules of cysteine. The enantiomeric compounds, enant-pyochelin I and II, are produced by Pseudomonas fluorescens.
HMR1556
D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D049990 - Membrane Transport Modulators
ribavirin 5-monophosphate
A 1-ribosyltriazole that is ribavirin in which the hydroxy group at the 5-position is replaced by a phosphonooxy group. It is the active metabolite of the antiviral agent ribavirin.
2-bromo-5-(3,7-dimethylocta-2,6-dien-1-yl)benzene-1,4-diol
5,8-dihydroxy-2-[(1s)-1-hydroxyethyl]-3,6,7-trimethoxynaphthalene-1,4-dione
(2s,3r)-6-chloro-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-5-phenylcyclohexa-2,5-diene-1,4-dione
6-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-8-hydroxy-3-methylisochromen-1-one
6-{[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-8-hydroxy-3-methylisochromen-1-one
4-[(4s,5s)-4-hydroxy-2',4'-dioxaspiro[cyclopentane-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),2,5',7',9',11'-hexaen-5-yl]but-2-enoic acid
(3r,4s,6s)-3,10,13-trihydroxy-6-methyl-5-oxapentacyclo[9.7.0.0²,⁸.0⁴,⁶.0¹²,¹⁷]octadeca-1(11),2(8),9,12,14,16-hexaene-7,18-dione
(12r)-7,8-dimethoxy-12-phenyl-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1,3,6,8-tetraen-10-one
3-hydroxy-4-(4-hydroxyphenyl)-6-[(4-hydroxyphenyl)methylidene]pyran-2,5-dione
(12s)-7,8-dimethoxy-12-phenyl-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1,3,6,8-tetraen-10-one
4-hydroxy-3-[(1s)-1-(3-hydroxyphenyl)-3-oxobutyl]chromen-2-one
7-hydroxy-12-methoxy-2,2-dimethyl-1,11-dioxatetracen-6-one
4-hydroxy-3-[1-(3-hydroxyphenyl)-3-oxobutyl]chromen-2-one
n-[2-(2',6-dihydroxy-5'-{2-[(hydroxymethylidene)amino]ethenyl}-[1,1'-biphenyl]-3-yl)ethenyl]carboximidic acid
1,5-dihydroxy-2-isoprenyl-3-methoxyxanthone
{"Ingredient_id": "HBIN001658","Ingredient_name": "1,5-dihydroxy-2-isoprenyl-3-methoxyxanthone","Alias": "NA","Ingredient_formula": "C19H16O5","Ingredient_Smile": "CC(=C)C=CC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C(=CC=C3)O)OC","Ingredient_weight": "324.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5924","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "129716102","DrugBank_id": "NA"}
1,7-dihydroxy-2-isoprenyl-3-methoxyxanthone
{"Ingredient_id": "HBIN002012","Ingredient_name": "1,7-dihydroxy-2-isoprenyl-3-methoxyxanthone","Alias": "NA","Ingredient_formula": "C19H16O5","Ingredient_Smile": "CC(=C)C=CC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C=CC(=C3)O)OC","Ingredient_weight": "324.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5925","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "129716110","DrugBank_id": "NA"}
2-(4-carboxy-3-methoxystyryl)-2-methoxy-succinicacid
{"Ingredient_id": "HBIN004297","Ingredient_name": "2-(4-carboxy-3-methoxystyryl)-2-methoxy-succinicacid","Alias": "NA","Ingredient_formula": "C15H16O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3178","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(?)-6-chloroepicatechin
{"Ingredient_id": "HBIN012295","Ingredient_name": "(?)-6-chloroepicatechin","Alias": "NA","Ingredient_formula": "C15H13ClO6","Ingredient_Smile": "C1C(C(OC2=CC(=C(C(=C21)O)Cl)O)C3=CC(=C(C=C3)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3550","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
