Exact Mass: 322.16319319999997
Exact Mass Matches: 322.16319319999997
Found 500 metabolites which its exact mass value is equals to given mass value 322.16319319999997,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Gelsemin
Gelsemine, an alkaloid from the Chinese herb Gelsemium elegans, is effective in mitigating chronic pain. Antinociceptive effects. Gelsemine, an alkaloid from the Chinese herb Gelsemium elegans, is effective in mitigating chronic pain. Antinociceptive effects.
Zeranol
Zeranol is isolated from Fusarium species. It is an anabolic agent and estrogenic agent (mainly veterinary use). Zeranol is used as a growth promoter for food animals. It was banned by the EU in 1989, but is still permitted in the USA and some other countries. It may also arise in livestock by ingestion of Fusarium contaminated pasture or feeds D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens Same as: D06362
neamine
C12H26N4O6 (322.18522559999997)
C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic
Tetraneurin A
akuammicine
A monoterpenoid indole alkaloid with formula C20H22N2O2, isolated from several plant species including Alstonia spatulata, Catharanthus roseus and Vinca major.
Mequitazine
Mequitazine is a histamine H1 antagonist (antihistamine). It competes with histamine for the normal H1-receptor sites on effector cells of the gastrointestinal tract, blood vessels and respiratory tract. It provides effective, temporary relief of sneezing, watery and itchy eyes, and runny nose due to hay fever and other upper respiratory allergies. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AD - Phenothiazine derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Same as: D01324 Mequitazine is a potent, and long-acting histamine H1 antagonist.
16beta-Chlorotestosterone
C19H27ClO2 (322.16994719999997)
12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one
C19H27FO3 (322.19441240000003)
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dimethylnaphthalene-1,4-dione
Taleranol
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins Beta-Zearalenol is an mycotoxin produced by Fusarium spp, which causes apoptosis and oxidative stress in mammalian reproductive cells[1]. Beta-Zearalenol is the derivative of zearalenone (ZEA) which can conjugate with glucuronic acid[2].
Gelsemine
Gelsemin is an indole alkaloid. Gelsemine is a natural product found in Gelsemium sempervirens and Gelsemium elegans with data available. Gelsemine, an alkaloid from the Chinese herb Gelsemium elegans, is effective in mitigating chronic pain. Antinociceptive effects. Gelsemine, an alkaloid from the Chinese herb Gelsemium elegans, is effective in mitigating chronic pain. Antinociceptive effects.
N6-cis-p-Coumaroylserotonin
N6-cis-p-Coumaroylserotonin is a member of hydroxyindoles and a carboxamide. It is functionally related to a serotonin. N-Coumaroyl serotonin is a natural product found in Echinochloa esculenta, Centaurea montana, and other organisms with data available. Ipobscurine A is found in fats and oils. Ipobscurine A is an alkaloid from Carthamus tinctorius (safflower). N-(p-Coumaroyl) Serotonin is a polyphenol isolated from the seeds of safflower and has antioxidative, anti-atherogenic and anti-inflammatory properties. N-(p-Coumaroyl) Serotonin inhibits PDGF-induced on phosphorylation of PDGF receptor and Ca2+ release from sarcoplasmic reticulum[1]. N-(p-Coumaroyl) Serotonin ameliorates atherosclerosis and distensibility of the aortic wall in vivo and is usually used for the atherosclerosis research[2]. N-(p-Coumaroyl) Serotonin is a polyphenol isolated from the seeds of safflower and has antioxidative, anti-atherogenic and anti-inflammatory properties. N-(p-Coumaroyl) Serotonin inhibits PDGF-induced on phosphorylation of PDGF receptor and Ca2+ release from sarcoplasmic reticulum[1]. N-(p-Coumaroyl) Serotonin ameliorates atherosclerosis and distensibility of the aortic wall in vivo and is usually used for the atherosclerosis research[2].
Butyl (S)-3-hydroxybutyrate glucoside
Butyl (S)-3-hydroxybutyrate glucoside is found in fruits. Butyl (S)-3-hydroxybutyrate glucoside is a constituent of the fruit of mountain papaya Carica pubescens
Avenic acid A
Avenic acid A is found in cereals and cereal products. Avenic acid A is isolated from root washings of Avena sativa (oats Isolated from root washings of Avena sativa (oats). Avenic acid A is found in oat and cereals and cereal products.
N2-Galacturonyl-L-lysine
N2-Galacturonyl-L-lysine is found in garden tomato. N2-Galacturonyl-L-lysine is a possible constituent of plant cell walls including tomato and spinach. Possible constituent of plant cell walls including tomato and spinach. N2-Galacturonyl-L-lysine is found in green vegetables and garden tomato.
N6-Galacturonyl-L-lysine
N6-Galacturonyl-L-lysine is found in garden tomato. N6-Galacturonyl-L-lysine is a possible constituent of plant cell walls including tomato and spinach. Possible constituent of plant cell walls including tomato and spinach. N6-Galacturonyl-L-lysine is found in green vegetables and garden tomato.
Ketophenylbutazone
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AA - Butylpyrazolidines Ketophenylbutazone belongs to the family of Pyrazolones. These are compounds containing a pyrazole ring which bears a ketone. C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
2-Hydroxyphenylacetic acid glucuronide
(E)-N-[2-(3-Indolyl)ethyl]-3-(3,4-dihydroxyphenyl)acrylamide
10-(Phosphonooxy)decyl methacrylate
C14H27O6P (322.15451720000004)
9-Amino-N-[3-(Dimethylamino)Propyl]Acridine-4-Carboxamide
Apovincaminic acid
3-((Dimethylamino)methyl)-6-methoxy-2-methyl-4-phenylisoquinolin-1(2H)-one
Cytosporone B
Cytosporone B (Csn-B; Dothiorelone G) is a naturally occurring nuclear orphan receptor Nur77/NR4A1 agonist with an EC50 of 0.278 nM.
Finrozole
C18H15FN4O (322.12298319999996)
Gelsemin
Gelsemine, an alkaloid from the Chinese herb Gelsemium elegans, is effective in mitigating chronic pain. Antinociceptive effects. Gelsemine, an alkaloid from the Chinese herb Gelsemium elegans, is effective in mitigating chronic pain. Antinociceptive effects.
Neamine
C12H26N4O6 (322.18522559999997)
4-[(2R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]butanamide
C13H18N6O4 (322.13894680000004)
8-Cyclopentyl-3-(3-fluoro-propyl)-1-propyl-3,7-dihydro-purine-2,6-dione
C16H23FN4O2 (322.18049499999995)
(-)-jasmonoyl-L-isoleucine
C18H28NO4 (322.20182280000006)
(-)-jasmonoyl-l-isoleucine belongs to isoleucine and derivatives class of compounds. Those are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom (-)-jasmonoyl-l-isoleucine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). (-)-jasmonoyl-l-isoleucine can be found in a number of food items such as fruits, jerusalem artichoke, sea-buckthornberry, and borage, which makes (-)-jasmonoyl-l-isoleucine a potential biomarker for the consumption of these food products.
[5aR-(5aalpha,6alpha,8alpha,9abeta,9balpha)]-8-(Acetyloxy)-5,5a,6,7,8,9,9a,9b-octahydro-6-hydroxy-3-(hydroxymethyl)-5a-methyl-9-methylenenaphtho[1,2-b]furan-2(4H)-one
6alpha-Acetoxy-9beta,10beta-epoxy-4alpha-hydroxy-11(13)-guaien-12,8alpha-olide
Mitoridine
13-Acetoxy-4alpha,5alpha-epoxy-8alpha-hydroxy-1(10),7(11)-germacratrien-12,6alpha-olide
3-(hydroxymethyl)-3,3,3a-trimethyl-6-oxo-2,3,3a,4,6,7b-hexahydro-1ah-spiro[naphtho[1,2-b]oxirene-5,2-oxiran]-2-yl acetate
14-Acetylthioxyfurodysinin lactone
C17H22O4S (322.12387320000005)
(+)-6-(2-Hydroxy-3-methoxy-3-methylbutyl)-5,7-dimethoxycoumarin
2alpha-Acetoxy-5alpha-hydroperoxyisosphaerantholide
13-Desacetyl-1alpha-hydroxyafraglaucolide
13-Desacetyl-1beta-hydroxyafraglaucolide
1beta,8alpha-Dihydroxyeremophil-7(11),9-dien-8beta,12-olide
1,4-Naphthalenedione, 6-[2-(2,2-dimethyl-6-methylene-3-oxocyclohexyl)ethyl]-
[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-5-[(Acetyloxy)methyl]-3a,4,6,7,8,8a,9,9a-octahydro-6-hydroperoxy-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
[1R-(1alpha,4alpha,4aalpha,6alpha,8aalpha)]-6-(Acetyloxy)-1,2,3,4,4a,5,6,8a-octahydro-4-hydroxy-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester
CYTOSPORONE B
Cytosporone B (Csn-B; Dothiorelone G) is a naturally occurring nuclear orphan receptor Nur77/NR4A1 agonist with an EC50 of 0.278 nM.
(1R*,3R*,6R*,7R*,8R*)-3-acetoxy-4,10(14),11(13).trien-6,12-olide
1-[4-[[4-(acetyloxy)-3-methyl-2-butenyl]oxy]-2,6-dihydroxyphenyl]-2-methyl-1-propanone
10-acetoxy-8-hydroxy-9-O-angeloylthmol|8-Hydroxy-10-acetoxythymol 9-O-angelate
(5R)-5-(4-{(1S,5R)-1-hydroxy-5-[(2R,3E)-2-hydroxypent-3-en-1-yl]-4-oxocyclopent-2-en-1-yl}butyl)dihydrofuran-2(3H)-one
(1beta,7beta,8beta)-8-(acetyloxy)-1-hydroxycostic acid methyl ester|1beta-hydroxy-8beta-acetoxycostic acid methyl ester|1??-Hydroxy-8??-acetoxycostic acid methyl ester
oblongolide M|{(1R,3aS,5aR,7S,9aS,9bR)-1-acetyl-1-hydroxy-1,3,3a,5a,6,7,8,9,9a,9b-decahydro-9b-methylnaphtho[1,2-c]furan-7-yl} methyl acetate
Gelsemine
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2295 Annotation level-1 Gelsemine, an alkaloid from the Chinese herb Gelsemium elegans, is effective in mitigating chronic pain. Antinociceptive effects. Gelsemine, an alkaloid from the Chinese herb Gelsemium elegans, is effective in mitigating chronic pain. Antinociceptive effects.
1,5-DI-O-ACETYL-2,3,4,6-TETRA-O-METHYLHEXITOL (1-D)
4-[2-(4-hydroxyphenyl)ethyl]-6-[(3-methyl-2-butenyl)oxy]benzofuran|xinjiastilbene B
2beta-acetoxy-8alpha,13-dihydroxygermacra-1(10),4,7(11)-trien-6alpha,12-olide
8alpha-Acetoxy-3,4-didehydro-4,5-dihydro-5alpha-hydroperoxyosmitopsin
6-alpha-acetyl-4-O-oxobedfordiaic acid methyl ester
(2S,4R,6S)-4-acetoxy-2-(3,4-dihydroxyphenyl)-6-pentyltetrahydropyran
1,2:4,6-Di-O-ethylidene,3-benzyl-alpha-D-Pyranose-Allose
flabelliformide A|rel-(4R,4aR,13aS)-4-ethyl-3,4,4a,5,7,13a-hexahydro-2-methyl-1H-pyrido[3,4:5,6]cyclooct[1,2-b]indole-1,6(2H)-dione
(1aRS,2aSR,6RS,7aSR,9aRS)-6-(acetyloxy)-2,2a,6,6a,7a,8,9,9a-octahydro-1a,5,7a-trimethylbisoxireno[4,5:8,9]cyclodeca[1,2-b]furan-4(1aH)-one|(3beta,4alpha,6alpha,8beta,9beta,10alpha)-8-(acetyloxy)-3,4:9,10-diepoxygermacr-7(11)-eno-12,6-lactone
1-hydroxy-5-methoxy-3,6-bis(phenylmethyl)pyrazin-2-(1H)-one|emeheterone
(+)-miliusane III|8beta,9beta-dihydroxy-1beta-(2,6-dimethylhepta-1,5-dienyl)-2-oxa-spiro[4.5]dec-7-ene-3,6-dione
(3aS,5aS,6R,9aR,9bS)-(3a-hydroxy-6,9a,9b-trimethyl-3,7-dioxo-dodecahydrocyclopenta[alpha]naphthalen-6-yl)acetic acid|Barbacenic acid
13-acetoxy-1beta,8alpha-dihydroxyeudesma-3,7(13)-dien-6alpha,12-olide
N(1)-methyl-14,15-didehydro-12-methoxyaspidofractinine
8alpha-Acetoxy-1,5-didehydro-4,5-dihydro-4alpha-hydroperoxyosmitopsin
4,10-Dimethyl-14,15-dihydro-7H-cyclohepta[1,2-a:5,4-a]dinaphthalene
13-acetoxy-1beta,8alpha-dihydroxyeudesma-4(15),7(13)-dien-6alpha,12-olide
5-chloro-3-(3,7-dimethylocta-2,6-dienyl)-2,4-dihydroxy-6-methylbenzaldehyde
C18H23ClO3 (322.13356380000005)
13-acetoxy-9beta-hydroxy-1beta,10alpha-epoxygermacra-4,7(11)-dien-6alpha,12-olide
1beta-hydroxy-8beta-acetoxy-isocostic acid methyl ester|1beta-hydroxy-8beta-acetoxyisocostic acid methyl ester|1??-Hydroxy-8??-acetoxyisocostic acid methyl ester
Decarboomethoxyapocuanzine|demethoxycarbonyl-apocuanzine|ent-17beta,21-epoxy-12-methoxy-eburnamenine
6beta-acetoxy-7beta,8beta-epoxy-1-oxo-10beta,11betaH-eremorphilan-12,8-olide
(E)-1alpha,10beta-epoxy-3beta-acetoxy-6alpha-hydroxygermacra-4,11(13)-dien-12,8alpha-olide|(E)-1??,10??-Epoxy-3??-acetoxy-6??-hydroxygermacra-4,11(13)-dien-12,8??-olide
Asnipyrone A
A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4,a methyl group at position 3 and a 3,5-dimethyl-6-phenylhexa-1,3,5-trien-1-yl group at position 6 (the 1E,3E,5E stereoisomer). It has been isolated from an endophytic fungus Aspergillus niger.
3-<2-(trans-cinnamoylamino)-ethyl>-3-hydroxyindolin-2-one|3-[2-(trans-cinnamoylamino)-ethyl]-3-hydroxyindolin-2-one
(-)-(3aS,5R,7aR)-4,4-dimethyl-7a-hydroxymethyl-2-oxo-2,3,3a,4,5,7a-hexahydrobenzo[b]furan-5-yl-3,4-dimethyl-3-pentenoate|3-teracrylmelazolide A
2-acetoxy-10beta-hydroxy-3-oxo-eremophila-1,11(13)-dien-12-oic acid
N(1)-formyl-14,15-didehydro-12-hydroxyaspidofractinine
2-(1,4-dihydroxycyclohexyl)ethyl caffeate|2-(cis-1,4-dihydroxycyclohexyl)ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
[1R,(?)]-6alpha-Acetyloxy-1,2,3,4,4aalpha,5,6,8aalpha-octahydro-4alpha-hydroxy-4,7-dimethyl-alpha-methylene-1alpha-naphthaleneacetic acid methyl ester
14-acetoxy-4beta,5alpha-epoxydesacetyl laurenobiolide
8-O-acetyl-3,10-dihydroxy-4(15),11(13)-guaiadien-12,6-olide|borenolide
N-[2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)ethyl]-N-methylpyridine-3-carboxamide
(7RS)-5-{(RS)-[(7RS)-6,7-dihydro-7-methyl-5H-cyclopenta[c]pyridin-4-yl]hydroxymethyl}-6,7-dihydro-7-methyl-5H-cyclopenta[c]pyridine-4-carbaldehyde|argutane A
N-phenacetyl-L-tryptophan|N-phenylacetyl-L-tryptophan
2alpha-acetoxy-4alpha,6alpha-dihydroxy-1beta,5alphaH-guai-9(10),11(13)-dien-12,8alpha-olide
A guaiane sesquiterpenoid with anti-inflammatory activity isolated from the aerial parts of Inula hupehensis.
(1RS,3aSR,8aSR)-3-(1-hydroxyhexyl)-3a-methyl-3a,8a-dihydro-3H,4H,5H-benzo[1,2-b;4,5-c]difuran-2,4,5-trione|annulohypoxyboverin
1,4-(propyl-2,2-dioxy)-8alpha-hydroxy-10beta-eudesman-6alpha,12-olide
(1E,3aS,12bS,13aS)-1-ethylidene-1,2,6,7,12,12b,13,13a-octahydro-3a-methylfuro[2,3-g]indolo[2,3-a]quinolizin-4(3aH)-one|Latifoliamide A
1beta,3beta-dihydroxy-13-acetoxy-eudesma-4(15),7(11)-dien-12,6alpha-olide
6beta-acetoxy-1beta,10alpha-dihydroxyeremophil-7(11),8-diene-12,8-olide
(+)-(3R,4R,5S,6S,7R,8S)-8-acetoxy-3,4-dihydroxyguai-1(10),11(13)-dien-6,12-olide|argyinolide G
3-methyl-1-[4-(2-pyridin-3-yl-oxazol-5-yl)-phenoxy]-butan-2-one|Halfordinon|Halfordinone|Halfovdinon
3,5-dihydroxy-6-methyl-octanoic acid 5-O-alpha-L-arabinofuranoside
10-acetoxy-8,10-dehydro-9-isobutyryloxy-6-methoxy-thymol
4-[(3,7-Dimethyl-5-oxooctyl)oxy]-3-hydroxybenzoic acid methyl ester
2,4-dimethoxy-2,2-dimethylchromene(5,6,3,4)-stilbene|Di-Me ehter-(E)-7-[2-(2,4-Dihydroxyphenyl)ethenyl]-2,2-dimethyl-2H-1-benzopyran
2,2,6-Trimethyl-4-(butanoyloxymethyl)-5-(2-chloroethyl)indan
C19H27ClO2 (322.16994719999997)
2alpha-acetoxy-6alpha-hydroxy-4alpha,5beta-epoxygermacra-1(10)E,11(13)-dien-12,8alpha-olide
Marsectobiose (O4--D-oleandrose)|Marsectobiose [O4-(beta-D-Theretopyranosyl)-D-oleandrose]
Cannagunin|cannagunine|ent-1-methyl-19-oxa-19a-homo-yohimb-16-en-18-one|ent-19-hydroxy-1-methyl-18,19-seco-yohimb-16c-en-18-oic acid lactone
2-methyl-4-[2,4,6-trihydroxy-3-(2-methyl-propanoyl)phenyl]but-2-enyl acetate
10-methoxy-nor-C-fluorocurarine|10-Methoxynor-C-fluorocurarine
5alpha,6alpha-epoxy-2alpha-acetoxy-4alpha-hydroxy-1beta,7alpha-guaia-11(13)-en-12,8alpha-olide
(12Z,19Z)-docosa-12,19-diene-3,5,10,21-tetrayne-1,2(R)-diol|callyspongidiol
(E)-1-(L-cystein-S-yl)-N-hydroxy-omega-(methylsulfanyl)nonan-1-imine
L-HYOSCYAMINE SULFATE
C17H24NO5S0.5 (322.16543939999997)
L-Hyoscyamine sulfate (Daturine sulfate), a natural plant tropane alkaloid, is a potent and competitive muscarinic receptor (MR) antagonist. L-Hyoscyamine sulfate is a levo-isomer to Atropine (HY-B1205)[1][2]. L-Hyoscyamine sulfate (Daturine sulfate), a natural plant tropane alkaloid, is a potent and competitive muscarinic receptor (MR) antagonist. L-Hyoscyamine sulfate is a levo-isomer to Atropine (HY-B1205)[1][2].
Koumine N-oxide
4,6-dihydroxy-3-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethylcyclohex-2-en-1-one
C17H22O6_[3,8-Dihydroxy-6,9-bis(methylene)-2-oxododecahydroazuleno[4,5-b]furan-3-yl]methyl acetate
C17H22O6_11,13-Dihydroxy-8-methoxy-4-methyl-4,5,6,7,8,9-hexahydro-2H-3-benzoxacyclododecine-2,10(1H)-dione
C20H22N2O2_2H-2,7a-Methanoindolo[2,3-a]quinolizine-13-carboxylic acid, 3-ethylidene-1,3,4,6,7,12b-hexahydro-, methyl ester, (3Z)
Zeranol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen Same as: D06362 CONFIDENCE Reference Standard (Level 1)
13,15-dihydroxy-9-methoxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione
4,6-dihydroxy-3-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethylcyclohex-2-en-1-one
Haplamidine
Origin: Plant; SubCategory_DNP: Putrescine alkaloids, Bisamide alkaloids
4,6-dihydroxy-3-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethylcyclohex-2-en-1-one [IIN-based: Match]
Solvent Blue 36
CONFIDENCE standard compound; INTERNAL_ID 529; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10471; ORIGINAL_PRECURSOR_SCAN_NO 10467 CONFIDENCE standard compound; INTERNAL_ID 529; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10492; ORIGINAL_PRECURSOR_SCAN_NO 10487 CONFIDENCE standard compound; INTERNAL_ID 529; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10546; ORIGINAL_PRECURSOR_SCAN_NO 10542
4,6-dihydroxy-3-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethylcyclohex-2-en-1-one_major
4,6-dihydroxy-3-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethylcyclohex-2-en-1-one_25.9\\%
b-Zearalanol
Beta-Zearalenol is an mycotoxin produced by Fusarium spp, which causes apoptosis and oxidative stress in mammalian reproductive cells[1]. Beta-Zearalenol is the derivative of zearalenone (ZEA) which can conjugate with glucuronic acid[2].
8-(3-((2-Carboxypropan-2-yl)oxy)phenyl)octanoic acid
avenic acid A
Butyl (S)-3-hydroxybutyrate glucoside
N6-cis-p-Coumaroylserotonin
Kebuzone
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AA - Butylpyrazolidines C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
4,6-Dihydroxy-3-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethyl-2-cyclohexen-1-one
Clostebol
C19H27ClO2 (322.16994719999997)
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
N-cyclohexyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
2-[(4-phenylpiperidin-1-yl)methyl]-1-benzothiophen-5-amine
3-[N,N-Bis(methoxycarbonylethyl)]amino-acetanilide
(2S)-2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide,hydrochloride
7-FLUORO-N-(4-(PYRROLIDIN-1-YLMETHYL)PYRIDIN-2-YL)ISOQUINOLIN-3-AMINE
1-ethyl-3-(4-methoxyanilino)-4-phenylpyrrole-2,5-dione
Vinyl Tris(Trimethylsiloxy)Silane
C11H30O3Si4 (322.12719500000003)
TERT-BUTYL 5-CHLOROSPIRO[INDOLINE-3,4-PIPERIDINE]-1-CARBOXYLATE
N-Benzyloxycarbonyl-4-[(3R)-3-amino-1-oxo-4-(hydroxy)butyl]morpholine
6-Fluoro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}tryptoph
CIS/TRANS-DISALYCYLIDENE-1,2-CYCLOHEXYLIDENEDIAMINE
tert-butyl4-(3,5-dimethoxyphenyl)piperazine-1-carboxylate
C17H26N2O4 (322.18924760000004)
ETHYL 4-((1-METHYLPIPERIDIN-4-YL)METHOXY)-2-AMINO
C17H26N2O4 (322.18924760000004)
1-BOC-3-[(2-FLUORO-BENZYLAMINO)-METHYL]-PIPERIDINE
10-(Phosphonooxy)decyl methacrylate
C14H27O6P (322.15451720000004)
1-BOC-3-[(3-FLUORO-BENZYLAMINO)-METHYL]-PIPERIDINE
1-BOC-3-[(4-FLUORO-BENZYLAMINO)-METHYL]-PIPERIDINE
(R)-(9H-fluoren-9-yl)Methyl 2-Methylpiperazine-1-carboxylate
tert-butyl 4-(4-nitrophenoxy)piperidine-1-carboxylate
Glyhexamide
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C97936 - Sulfonylurea Antidiabetic Agent
TERT-BUTYL 3-(4-NITROPHENOXY)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE
tert-Butyl 4-(2-nitrophenoxy)piperidine-1-carboxylate
tert-butyl 4-(3-amino-2-nitrophenyl)piperazine-1-carboxylate
4-[2-(CHLOROMETHYL)BENZIMIDAZOL-1-YL]BUTYL PIVALATE
2,2-azobis[2-(2-imidazolin-2-yl)propane] dihydrochloride
C12H24Cl2N6 (322.14394039999996)
Benzyl spiro[indoline-3,4-piperidine]-1-carboxylate
1-BENZYL-3H-SPIRO[BENZO[B][1,4]OXAZEPINE-2,4-PIPERIDIN]-4(5H)-ONE
4-(4-Chloro-2-Methylphenoxy)-1-piperidin-4-ylmethyl-piperidine
(9H-Fluoren-9-yl)Methyl (pyrrolidin-2-ylmethyl)carbamate
7-methyl-N-[2-(methylamino)phenyl]-2-propyl-3H-benzimidazole-5-carboxamide
Spiro[2H-1-benzopyran-2,2-[2H]indole],1,3-dihydro-1,3,3-trimethyl-6-nitro-
(3-Nitro-3,4,5,6-tetrahydro-2H-[1,2]bipyridinyl-4-yl)-carbamic acid tert-butyl ester
1H-Pyrrolo[2,3-b]pyridine, 3-(chloromethyl)-1-[tris(1-methylethyl)silyl]-
C17H27ClN2Si (322.16319319999997)
4-CHLORO-5-METHYL-1-(TRIISOPROPYLSILYL)-1H-PYRROLO[2,3-B]PYRIDINE
C17H27ClN2Si (322.16319319999997)
1-tert-Butyl 4-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
6-Benzyl-2-(2-phenoxyethyl)-2,6-diazaspiro[3.3]heptan-1-one
buta-1,3-diene,N-(methoxymethyl)-2-methylprop-2-enamide,2-methylprop-2-enoic acid,prop-2-enenitrile
C17H26N2O4 (322.18924760000004)
2-Benzoyl-1-cyano-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Benzoic acid,1,1-[2,2-(1,2-dimethyl-1,2-ethanediylidene)dihydrazide]
Mesocarb
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D002491 - Central Nervous System Agents > D000927 - Anticonvulsants C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist
9-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile
tert-butyl 4-(3-amino-4-nitrophenyl)piperazine-1-carboxylate
N-[(2-Cyano-(1,1-biphenyl)-4-yl)methyl)]valine methyl ester
4-[(1R,2R)-3-(4-Fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile
C18H15FN4O (322.12298319999996)
6-HYDROXY-1-ISOPROPYL-4-(4-ISOPROPYLPHENYL)QUINAZOLIN-2(1H)-ONE
tert-butyl 3-(2-nitrophenoxy)piperidine-1-carboxylate
thonzylamine hydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
4-([(3-DIMETHYLAMINO-PROPYL)-METHYL-AMINO]-METHYL)-BENZOIC ACID DIHYDROCHLORIDE
C14H24Cl2N2O2 (322.12147439999995)
propyl 3,6-diphenyl-1H-1,2,4,5-tetrazine-2-carboxylate
N-methoxy-N-methyl-4-(quinolin-2-ylmethoxy)benzamide
tert-butyl N-[cyano-(3,4,5-trimethoxyphenyl)methyl]carbamate
2,8-Diazaspiro[4.5]decan-1-one, 2-[[4-(methylsulfonyl)phenyl]methyl]
Methyl 4,5-dimethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
2-hydroxy-3-[3-(trimethoxysilyl)propoxy]propyl methacrylate
C13H26O7Si (322.14477259999995)
N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-N-methylnicotinamide
1-N-Boc-Amino-1-N-methyl-3-N-Cbz-aminopropane
C17H26N2O4 (322.18924760000004)
1,3,3-TRIMETHYLSPIRO-8-NITRO(2H-1-BENZOPYRAN)-2,2-INDOLINE
Urea, N-(4-((2S,5S)-5-((4-fluorophenoxy)methyl)tetrahydro-2-furanyl)-3-butyn-1-yl)-N-hydroxy-
N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide
KC3GI9UM9V
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(E)-N-[2-(3-Indolyl)ethyl]-3-(3,4-dihydroxyphenyl)acrylamide
p-(3-(p-Fluorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)propyl)benzonitrile
C18H15FN4O (322.12298319999996)
2H-2,7a-Methanoindolo[2,3-a]quinolizine-13-carboxylic acid, 3-ethylidene-1,3,4,6,7,12b-hexahydro-, methyl ester, (2R,3E,5S,7aR,12bS,13R)-
8-(4-Aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one
3-[3-Oxo-4-(2-phenylethyl)-3,4-dihydroquinoxalin-2-yl]propanoic acid
19-Chloro-17beta-hydroxyandrost-4-en-3-one
C19H27ClO2 (322.16994719999997)
16beta-Chloro-17beta-hydroxyandrost-4-en-3-one
C19H27ClO2 (322.16994719999997)
Propanoic acid, 2,3-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester
(2Z)-2-cyano-N-(3-ethoxybiphenyl-4-yl)-3-hydroxybut-2-enamide
3-(Hydroxymethyl)-1-methyl-5-(2-methylaziridin-1-yl)-2-phenyl-1h-indole-4,7-dione
mequitazine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AD - Phenothiazine derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Same as: D01324 Mequitazine is a potent, and long-acting histamine H1 antagonist.
N6-cis-p-Coumaroylserotonin
Constituent of dried Amorphophallus konjac (devils tongue). Nb-cis-p-Coumaroylserotonin is found in root vegetables. Ipobscurine A is found in fats and oils. Ipobscurine A is an alkaloid from Carthamus tinctorius (safflower).
5-Ethylidene-17-methoxy-11-oxa-7,20-diazahexacyclo[11.7.0.02,7.04,9.08,12.014,19]icosa-1(13),14(19),15,17-tetraene
[(4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanone
(2E,4E,6E,8E,10E,12E,14E,16E)-4,8,13,17-Tetramethyl-2,4,6,8,10,12,14,16-octadecaoctenedial
(2S)-4-[[(1S)-1-carboxy-3-hydroxypropyl]amino]-2-[(3-carboxy-3-hydroxypropyl)amino]butanoic acid
2-amino-3-[(E)-N-hydroxy-C-(8-methylsulfanyloctyl)carbonimidoyl]sulfanylpropanoic acid
(Z)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(3-phenylpropyl)prop-2-enamide
[3-carboxy-2-[(E)-2,3-dihydroxy-5-methylsulfanylpent-4-enoyl]oxypropyl]-trimethylazanium
(2S,3S,5S,6R,11S)-2-ethenyl-4-methylspiro[1H-indole-3,7-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one
(2S,3R,5S,6R,8S,11R)-2-Ethenyl-4-methylspiro[1H-indole-3,7-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one
O-(N-acetyl-alpha-D-galactosaminyl)-L-threonine
A L-threonine derivative that is N-acetyl-alpha-D-galactosamine linked via an alpha glycosidic bond to the O at position 3 of L-threonine.
2-(2-furanyl)-N-(2-oxolanylmethyl)-4-quinolinecarboxamide
10-acetoxy-8-hydroxy-9-O-angeloylthmol
A natural product found in Eupatorium cannabinum subspecies asiaticum.
(7R)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)propyl]benzonitrile
C18H15FN4O (322.12298319999996)
4-(Methoxymethyl)-6-methyl-2-(4-phenyl-1-piperazinyl)-3-pyridinecarbonitrile
3-Methyl-1-(3-propan-2-yloxypropylamino)-4-pyrido[1,2-a]benzimidazolecarbonitrile
8-Acetoxy-4,10-dihydroxy-2,11(13)-guaiadiene-12,6-olide
A sesquiterpene lactone and an organic heterotricyclic compound that is 2,3,3a,4,5,6,6a,9,9a,9b-decahydroazuleno[4,5-b]furan substituted by an acetoxy group at position 4, hydroxy groups at positions 6 and 9, methyl groups at positions 6 and 9, a methylidene group at position 3 and an oxo group at position 2. It is a guaianolide isolated from Chrysanthemum boreale and has been shown to exhibit cytotoxic activity against human cancer cell lines.
N-methyl-2-phenyl-N-[1-phenyl-2-(1-pyrrolidinyl)ethyl]acetamide
1-Ethyl-2-[[(1-methyl-2-benzimidazolyl)thio]methyl]benzimidazole
C18H18N4S (322.12521080000005)
angelol-J
A member of the class of coumarins that is 7-methoxycoumarin in which the hydrogen at position 6 has been replaced by a 1-ethoxy-2,3-dihydroxy-3-methylbutyl group (the R,R stereoisomer). Originally isolated from the roots of Angelica pubescens, angelol J shows strong inhibitory effects on human platelet aggregation.
1-Cyclohexyl-3-[1-(3,4-dimethoxyphenyl)ethyl]thiourea
C17H26N2O2S (322.17148960000003)
N-[3-(3-benzyl-2,5-dioxopyrrolidin-1-yl)phenyl]acetamide
(E)-N-(4-Morpholin-4-ylmethyl-phenyl)-3-phenyl-acrylamide
2-(6-amino-2-methyl-4-oxo-3-quinazolinyl)-N-(2-methylphenyl)acetamide
3-methyl-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]butanamide
5-hydroxy-asperentin-8-O-methylether
A member of the class of isocoumarins that is asperentin-8-O-methylether substituted by a hydroxy group at position 5. It has been isolated from Chaetomium globosum and Aspergillus flavus.
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-propanesulfonamide
(2S)-5-{[azaniumyl(imino)methyl]amino}-2-{[(2S)-2-azaniumyl-3-phenylpropanoyl]amino}pentanoate
[(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanone
N-(2-methyl-4-oxo-1-propyl-6-quinolinyl)-2-pyrazinecarboxamide
(2S,3S)-3-methyl-2-(2-{(1R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetamido)pentanoate
C18H28NO4- (322.20182280000006)
N-(morpholin-4-ylcarbonothioyl)tricyclo[4.3.1.1~3,8~]undecane-3-carboxamide
C17H26N2O2S (322.17148960000003)
10-[2-(4-Hydroxyphenyl)ethylamino]-2-methyl-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
N-pyrazin-2-yl-2-({1-[2-(1H-pyrazol-1-yl)phenyl]ethyl}amino)acetamide
3,7,7-Trimethyl-4-(4-methylphenyl)-4,4a,6,8-tetrahydro-[1,2]oxazolo[5,4-b]quinolin-5-one
(3R)-N-[(5S)-6-hydroxy-5-[[(3R)-3-isocyanobutanoyl]amino]hexyl]-3-isocyanobutanamide
3-O-(N-acetyl-beta-D-glucosaminyl)-L-threonine
An O-glycosyl-L-threonine having N-acetyl-beta-D-glucosaminyl as the glycosyl component.
4-[(1S,2S)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile
C18H15FN4O (322.12298319999996)
S-[N-hydroxy-9-(methylsulfanyl)nonanimidoyl]-L-cysteine
(5-Acetyloxy-1-deuterio-2,3,4,6-tetramethoxyhexyl) acetate
Anti-4,5,6,8-tetrafluoro-12,14,16-trimethyl(2.2)metacyclophane
2-Amino-6-(3-methoxy-4-hydroxycinnamoylamino)hexanoic acid
4-chloro-17beta-hydroxyandrost-4-en-3-one
C19H27ClO2 (322.16994719999997)
4-Octyloxybenzoic acid trimethylsilyl ester
C18H30O3Si (322.19641099999996)
3-Benzyloxy-2-methylbutane-1,1-dicarboxylic acid diethyl ester
(1alpha,4aR,7alpha)-2,3,4a,9a-Tetrahydro-4abeta,9aalpha-dimethoxy-8-oxaspiro[7H-cyclohepta-1,4-dioxin-7,9-bicyclo[5.2.0]nonane]
(1alpha,7alpha)-2,3,4a,9a-Tetrahydro-4aalpha,9abeta-dimethoxy-8-oxaspiro[7H-cyclohepta[1,4]dioxin-7,9-bicyclo[5.2.0]nonane]
(5E)-5-ethylidene-17-methoxy-11-oxa-7,20-diazahexacyclo[11.7.0.02,7.04,9.08,12.014,19]icosa-1(13),14(19),15,17-tetraene
(2S,5E,8R,9R,12R)-5-ethylidene-17-methoxy-11-oxa-7,20-diazahexacyclo[11.7.0.02,7.04,9.08,12.014,19]icosa-1(13),14(19),15,17-tetraene
(19E)-2,16,19-20-Tetradehydrocuran-17-oic acid methyl ester
N-[(+)-7-isojasmonyl]-L-isoleucinate
C18H28NO4 (322.20182280000006)
An N-jasmonyl-L-alpha-amino acid anion obtained by deprotonation of the carboxy group of N-[(+)-7-isojasmonyl]-L-isoleucine; major species at pH 7.3.
N-(indole-3-acetyl)phenylalanine
An indoleacetic acid amide conjugate obtained by formal condensation of the carboxy group of indole-3-acetic acid with the amino group of phenylalanine.
S-[9-(methylthio)nonylhydroximoyl]-L-cysteine
An S-substituted L-cysteine in which the thiol hydrogen of L-cysteine has been replaced by a 9-(methylthio)nonylhydroximoyl group.
Phe-Arg(1+)
A peptide cation obtained by deprotonation of the carboxy terminus and protonation of the side-chain guanidino group and the amino terminus of Phe-Arg; major species at pH 7.3.
Arg-Phe(1+)
A peptide cation obtained by deprotonation of the carboxy terminus and protonation of the side-chain guanidino group and the amino terminus of Arg-Phe; major species at pH 7.3.
DG(15:4)
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Oxotremorine (sesquifumarate)
Oxotremorine sesquifumarate is a mAChR agonist that mainly activates M2 receptors. Oxotremorine sesquifumarate can be used for neurological research[1][2].
UCSF924
UCSF924 is a potent and specific dopamine D4 receptor (DRD4) partial agonist with a EC50 of 4.2 nM. UCSF924 has a high-affinity with a Ki value of 3 nM for DRD4 and shows no measurable affinity for D2, D3 or the F261V/L328F D4 mutant. UCSF924 is a 7.4-fold bias toward arrestin over Gαi/o signaling, referenced to quinpirole[1].
VU0453595
C18H15FN4O (322.12298319999996)
VU0453595 is a highly selective, systemically active M1 positive allosteric modulator (PAM, EC50=2140?nM) for the research of schizophrenia[1][2].
WWL229
WWL229 is a selective inhibitor of carboxylesterase 3 (Ces3) with an IC50 of 1.94 μM. WWL229 promotes lipid storage in cultured adipocytes and prevents basal lipolysis[1].