Exact Mass: 216.12625659999998
Exact Mass Matches: 216.12625659999998
Found 500 metabolites which its exact mass value is equals to given mass value 216.12625659999998,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Atractylon
Atractylone is a sesquiterpenoid. Atractylon is a natural product found in Eugenia uniflora, Prumnopitys andina, and other organisms with data available.
Furanodiene
Furanodiene is a germacrane sesquiterpenoid. Furanodiene is a natural product found in Curcuma amada, Lactarius chrysorrheus, and other organisms with data available. Furanodiene is a constituent of Curcuma zedoaria (zedoary) Constituent of Curcuma zedoaria (zedoary)
gamma-Glutamyl-gamma-aminobutyraldehyde
An L-glutamine derivative that is L-glutamine in which a hydrogen attached to the amide nitrogen is replaced by a 4-oxobutyl group.
Isogermafurene
Isogermafurene is found in herbs and spices. Isogermafurene is isolated from Curcuma zedoaria (zedoary), present to some extent in nearly all Curcuma species. Isolated from Curcuma zedoaria (zedoary), present to some extent in nearly all Curcuma subspecies Isogermafurene is found in herbs and spices. Curzerene is a natural product found in Commiphora myrrha and Lindera pulcherrima var. hemsleyana with data available.
N-acetylarginine
N-alpha-Acetyl-L-arginine, also known as N-alpha-acetylarginine, belongs to the class of organic compounds known as N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. N-Acetylarginine can also be classified as an alpha amino acid or a derivatized alpha amino acid. Technically, N-Acetylarginine is a biologically available N-terminal capped form of the proteinogenic alpha amino acid L-arginine. N-acetyl amino acids can be produced either via direct synthesis of specific N-acetyltransferases or via the proteolytic degradation of N-acetylated proteins by specific hydrolases. N-terminal acetylation of proteins is a widespread and highly conserved process in eukaryotes that is involved in protection and stability of proteins (PMID: 16465618). About 85\\\% of all human proteins and 68\\\% of all yeast proteins are acetylated at their N-terminus (PMID: 21750686). Several proteins from prokaryotes and archaea are also modified by N-terminal acetylation. The majority of eukaryotic N-terminal-acetylation reactions occur through N-acetyltransferase enzymes or NAT’s (PMID: 30054468). These enzymes consist of three main oligomeric complexes NatA, NatB, and NatC, which are composed of at least a unique catalytic subunit and one unique ribosomal anchor. The substrate specificities of different NAT enzymes are mainly determined by the identities of the first two N-terminal residues of the target protein. The human NatA complex co-translationally acetylates N-termini that bear a small amino acid (A, S, T, C, and occasionally V and G) (PMID: 30054468). NatA also exists in a monomeric state and can post-translationally acetylate acidic N-termini residues (D-, E-). NatB and NatC acetylate N-terminal methionine with further specificity determined by the identity of the second amino acid. N-acetylated amino acids, such as N-acetylarginine can be released by an N-acylpeptide hydrolase from peptides generated by proteolytic degradation (PMID: 16465618). In addition to the NAT enzymes and protein-based acetylation, N-acetylation of free arginine can also occur. Many N-acetylamino acids, including N-acetylarginine are classified as uremic toxins if present in high abundance in the serum or plasma (PMID: 26317986; PMID: 20613759; PMID: 7777105). Uremic toxins are a diverse group of endogenously produced molecules that, if not properly cleared or eliminated by the kidneys, can cause kidney damage, cardiovascular disease and neurological deficits (PMID: 18287557). N-alpha-Acetyl-L-arginine serum levels (and other guanidino compounds) were elevated of all the hyperargininemic patients are higher than the normal range. Untreated hyperargininemic patients have the highest guanidino compound levels in cerebrospinal fluid. N-alpha-Acetyl-L-arginine is also increased in the urine or hyperargininemic patients. N-alpha-Acetyl-L-arginine is one of the guanidino compounds found elevated in the serum of hemodialyzed renal insufficient (uremic) pediatric patients. N-alpha-Acetylarginine is one of the guanidino compounds found elevated in the serum of an hemodialyzed renal insufficient (uremic) pediatric population. (PMID 7777105) N-Acetyl-L-arginine (Ac-Arg-OH) is one of the guanidino compounds found elevated in the serum of an hemodialyzed renal insufficient (uremic) pediatric population.
(R)-ar-Turmerone
(R)-ar-Turmerone is found in herbs and spices. (R)-ar-Turmerone is a constituent of essential oil from Curcuma longa (turmeric), Curcuma amada (mango-ginger) Constituent of essential oil from Curcuma longa (turmeric), Curcuma amada (mango-ginger). (R)-ar-Turmerone is found in turmeric and herbs and spices. ar-Turmerone ((+)-ar-Turmerone) is a major bioactive compound of the herb Curcuma longa with anti-tumorigenesis and anti-inflammatory activities[1][2][3]. ar-Turmerone activates apoptotic protein in human lymphoma U937 cells[3]. ar-Turmerone exerts positive modulation on murine DCs. ar-Turmerone induces NSC proliferation and constitutes a promising therapeutic agent for various neurologic disorders[4][5]. ar-Turmerone ((+)-ar-Turmerone) is a major bioactive compound of the herb Curcuma longa with anti-tumorigenesis and anti-inflammatory activities[1][2][3]. ar-Turmerone activates apoptotic protein in human lymphoma U937 cells[3]. ar-Turmerone exerts positive modulation on murine DCs. ar-Turmerone induces NSC proliferation and constitutes a promising therapeutic agent for various neurologic disorders[4][5].
Valylvaline
Valylvaline is a dipeptide composed of two valine residues. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. H-VAL-VAL-OH is a dipeptide of the amino acid valine, an essential amino acid[1].
Nb-Methyltetrahydroharmol
C13H16N2O (216.12625659999998)
Nb-Methyltetrahydroharmol is found in fruits. Nb-Methyltetrahydroharmol is an alkaloid from Elaeagnus angustifolia (Russian olive Alkaloid from Elaeagnus angustifolia (Russian olive). Nb-Methyltetrahydroharmol is found in fruits.
1,3,5,11-Bisabolatetraen-10-one
1,3,5,11-Bisabolatetraen-10-one is found in herbs and spices. 1,3,5,11-Bisabolatetraen-10-one is a constituent of oil of Cinnamomum cassia (Chinese cinnamon) Constituent of oil of Cinnamomum cassia (Chinese cinnamon). 1,3,5,11-Bisabolatetraen-10-one is found in herbs and spices.
1,2-Dehydro-alpha-cyperone
1,2-Dehydro-alpha-cyperone is found in coffee and coffee products. 1,2-Dehydro-alpha-cyperone is a constituent of Lycium chinense (Chinese boxthorn). Constituent of Lycium chinense (Chinese boxthorn). 1,2-Dehydro-alpha-cyperone is found in tea, coffee and coffee products, and herbs and spices.
Nb-Acetyl-Nb-methyltryptamine
C13H16N2O (216.12625659999998)
Nb-Acetyl-Nb-methyltryptamine is found in beverages. Nb-Acetyl-Nb-methyltryptamine is an alkaloid from stems of Limonia acidissima (wood apple
Undecanedioic acid
Undecanedioic acid has been found in parts of human aortas with advanced atherosclerotic lesions associated with intercellular matrix macromolecules and specifically with elastin, and may be the result of an increased hydrolysis of esters and (or) a decreased esterification. (PMID:131675). Undecanedioic acid has been found (among other unusual dicarboxylic acids) in the urine from patients under hopantenate therapy during episodes of Reyes-like syndrome. (PMID:2331533). Undecanedioic acid has been found in parts of human aortas with advanced atherosclerotic lesions associated with intercellular matrix macromolecules and specifically with elastin, and may be the result of an increased hydrolysis of esters and (or) a decreased esterification. (PMID: 131675) Undecanedioic acid is associated with intercellular matrix macromolecules and specifically with elastin.
2-Hexyl-3-phenyl-2-propenal
2-Hexyl-3-phenyl-2-propenal is a flavouring agent Flavouring agent α-Hexylcinnamaldehyde, a compound derived from Cinnamaldehyde. α-Hexylcinnamaldehyde has the potential antimutagenic and chemosensitizing properties. α-Hexylcinnamaldehyde is widely used as an ingredient in many personal care, and as an additive in food and the pharmaceutical industry[1].
3-[4-Hydroxy-3-(3-methyl-2-butenyl)phenyl]-2-propenal
3-[4-Hydroxy-3-(3-methyl-2-butenyl)phenyl]-2-propenal is found in citrus. 3-[4-Hydroxy-3-(3-methyl-2-butenyl)phenyl]-2-propenal is produced by injured peel of grapefruit (Citrus paradisi) and orange (Citrus sinensis). Production by injured peel of grapefruit (Citrus paradisi) and orange (Citrus sinensis). 3-[4-Hydroxy-3-(3-methyl-2-butenyl)phenyl]-2-propenal is found in citrus.
Prolyl-Threonine
Prolyl-Threonine is a dipeptide composed of proline and threonine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Threonylproline
Threonylproline is a dipeptide composed of threonine and proline. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
(R)-2-Amino-N-(2,2,4,4-tetramethyl-3-thietanyl)propanamide
Aqueous degradation production of Alitame
5beta-1,3,7(11)-Eudesmatrien-8-one
5beta-1,3,7(11)-Eudesmatrien-8-one is found in fruits. 5beta-1,3,7(11)-Eudesmatrien-8-one is a constituent of Eugenia uniflora (Surinam cherry) Constituent of Eugenia uniflora (Surinam cherry). 5beta-1,3,7(11)-Eudesmatrien-8-one is found in fruits.
Butyl butyryllactate
Butyl butyryllactate is present in fruits of two Korean strawberry cultivars (Bogyojosaeng and suhong). Butyl butyryllactate is a flavouring ingredient. Present in fruits of two Korean strawberry cultivars (Bogyojosaeng and suhong). Flavouring ingredient.
Sakacin P
Sakacin P is found in animal foods. Sakacin P is produced by Lactobacillus sake LTH 673 isolated from fermented dry sausage. Production by Lactobacillus sake LTH 673 isolated from fermented dry sausage. Sakacin P is found in animal foods. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D001430 - Bacteriocins
1,10-Oxidocalamenene
1,10-Oxidocalamenene belongs to the family of Sesquiterpenes. These are terpenes with three consecutive isoprene units
N2,N5-Diacetylornithine
N2,N5-Diacetylornithine, also known as bisorcic, belongs to the class of organic compounds known as N-acyl-L-alpha-amino acids. These are N-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom. N2,N5-Diacetylornithine is an N-acetyl-L-amino acid that is L-ornithine carrying two acetyl substituents at positions N-2 and N-5. N2,N5-Diacetylornithine was identified as one of forty plasma metabolites that could be used to predict gut microbiome Shannon diversity (PMID: 31477923). Shannon diversity is a metric that summarizes both species abundance and evenness, and it has been suggested as a marker for microbiome health. C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
Cirazoline
C13H16N2O (216.12625659999998)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D019141 - Respiratory System Agents > D014663 - Nasal Decongestants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents
Efaroxan
C13H16N2O (216.12625659999998)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
Tetrahydroharmine
C13H16N2O (216.12625659999998)
[(2S,3R)-2-Amino-3-hydroxybutanoyl] (2S)-pyrrolidine-2-carboxylate
7-Methoxy-1-methyl-4,4a,9,9a-tetrahydro-1H-pyrido[3,4-b]indole
C13H16N2O (216.12625659999998)
Isoketocamphoric acid
Isoketocamphoric acid, also known as isoketocamphate, is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Isoketocamphoric acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Isoketocamphoric acid can be found in common sage, which makes isoketocamphoric acid a potential biomarker for the consumption of this food product.
Dehydronootkatone
It is used as a food additive .
5,5a,6,7-Tetrahydro-1,5-dimethylnaphtho[2,1-b]furan-8(4H)-one
(E,E)-2-(2,6-Dimethyl-2,5,7-octatrienyl)-4-methylfuran
Debromoaplysin
(E,E)-2-(2,6-Dimethyl-1,5,7-octatrienyl)-4-methylfuran
6-Methoxy-2-methyl-1,2,3,4-tetrahydro-beta-carboline
C13H16N2O (216.12625659999998)
methyl azelate
A fatty acid methyl ester that is nonanedioic acid in which both carboxy groups are replaced by methoxycarbonyl groups.
Debromolaurinterol
A sesquiterpenoid that is laurinterol in which the bromo group has been replaced by a hydrogen. Isolated from Laurencia intermedia and Aplysia kurodai, it exhibits antimicrobial activity.
(E,Z)-2-(2,6-Dimethyl-1,5,7-octatrienyl)-4-methylfuran
(Z,E)-2-(2,6-Dimethyl-2,5,7-octatrienyl)-4-methylfuran
2-{[4-(2-Cyanoallyl)piperazino]methyl}acrylonitrile
{[[(4-Cyanobenzyl)amino](imino)methyl]amino}methanimidamide
(5E)-3,6-dimethyl-10-methylene-4,7,8,9,10,11-hexahydrocyclodecafuran|(5E)-3,6-dimethyl-10-methylene-4,7,8,9,10,11-hexahydrocyclodeca[b]furan
5-hydroxy-2,5,7-trimethylspiro[cyclopropane-1,6-indene]-4-one
2-(1,2-Dimethylbicyclo[3.1.0]hexane-2-yl)-5-methylphenol
3-hydroxy-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde
(2E,8E)-9-(tetrahydro-2H-pyran-2-yl)nona-2,8-diene-4,6-diyn-1-ol|(E,E)-form-9-(Tetrahydropyran-2-yl)-2,8-nonadiene-4,6-diyn-1-ol|9t-(Tetrahydro-pyran-2-yl)-nona-2t,8-dien-4,6-diin-1-ol
(2Z,9Z)-pentadecadiene-4,6-diyn-1-ol|(Z,Z)-2,9-Pentadecadiene-4,6-diyn-1-ol|2Z-9Z-pentadecadiene-4,6-diyn-1-ol|pentadeca-2c,9c-diene-4,6-diyn-1-ol
(+)-trans-calamenen-13-al|(5S,8R)-5,6,7,8-tetrahydro-5-methyl-8-(1-methylethyl)naphthalene-2-carbaldehyde
9-(Tetrahydro-2H-pyran-2-yl)-1,8-nonadiene-4,6-diyn-3-ol,|9-(Tetrahydropyran-2-yl)-nona-trans-1,8-dien-4,6-diin-3-ol
?-Methoxy-3-(tetrahydro-5-methoxy-4-methyl-3-furanyl)-2-propenoic acid
Cyclopentanone, 3,3,4-trimethyl-4-(4-methylphenyl)-
(6S,10S)-3,10-dimethyl-7,11-dimethylidenespiro[5,5]undec-2-en-4-one
(2R,3R,5E)-5-Ethylidene-2-hydroxy-2,3-dimethylhexanedioic acid|5-Ethylidene-2-hydroxy-2,3-dimethylhexanedioic acid
7-methyl-7-(4-methylpenta-1,3-dienyl)-4,5,6,7-tetrahydrobenzofuran
2,8,10-Tetradecatriene-4,6-diyne-1,14-diol|Tetradeca-2t,8t,10t-trien-4,6-diin-1,14-diol|tetradeca-2t,8t,10t-triene-4,6-diyne-1,14-diol|Tetradecatrien-(2t,8t,10t)-diin-(4,6)-diol-(1,14)
2-(1,2-Dimethyl-3-methylenecyclopentyl)-5-methylphenol
(all-E)-1,4,8,10-Pentadecatetraen-6-yn-3-ol|Pentadeca-1,4t,8t,10t-tetraen-6-in-3-ol|pentadeca-1,4t,8t,10t-tetraen-6-yn-3-ol
1-Phenylhydrazone-3-Methyl-1,2-cyclohexanedione
C13H16N2O (216.12625659999998)
2-Methyl-5-(1,2,3-trimethyl-2-cyclopentenyl)phenol
3-(Hydroxymethyl)-4-[1-(hydroxymethyl)-2-hydroxypropyl]-5,6-dihydro-2H-pyran-2-one
4alpha-(3,5-dihydroxy-heptyl)-3alpha-methyl-2-oxetanone
(3R*,4S*,5R*)-4,5-dihydro-4-hydroxy-5-(1-hydroxy-2-methylbutyl)-3,5-dimethylfuran-2(3H)-one|xylariolide A
(4S)-3,4-dihydro-6-methyl-4-(1-methylethyl)naphthalene-1-methanol|(7S)-alpha-calacoren-14-ol
2-Methyl-6-methoxy-1,2,3,4-tetrahydro-beta-carboline
C13H16N2O (216.12625659999998)
(R)-2,2-Dimethyl-3-(3-oxo-butyl)-bernsteinsaeure und cyclische Tautomere|(R)-2,2-dimethyl-3-(3-oxo-butyl)-succinic acid and cyclic tautomer(ic)
Adrenoglomerulotropin
C13H16N2O (216.12625659999998)
SubCategory_DNP: : Alkaloids derived from tryptophan, beta-Carboline alkaloids, Indole alkaloids
5,6,7,8-tetrahydro-6-hydroxy-7-(1-methylethenyl)-naphthalene-1-carboxaldehyde|8beta-hydroxy-2-dehydroxyliguhodgsonal
Nb-Methyltetrahydroharmol
C13H16N2O (216.12625659999998)
(13E)-13-Pentadecene-9,11-diyn-6-one|(E)-13-Pentadecene-9,11-diyn-6-one|pentadeca-trans-2-ene-4,6-diyn-10-one
(7E,13E)-7,13-Pentadecadiene-9,11-diyn-6-ol|(E,E)-27,13-Pentadecadiene-9,11-diyn-6-ol|pentadeca-7t,13t-diene-9,11-diyn-6-ol|pentadeca-trans-2,trans-8-diene-4,6-diyn-10-ol|Pentadecadien-(2t,8t)-diin-(4,6)-ol-(10)|trans.trans-Pentadecadien-(2.8)-diin-(4.6)-ol-(10)
(3E,6E)-form-3-(4,8-Dimethyl-3,6,8-nonatrienyl)furan
(2E,4E,6E,8E,10E)-4,9-dimethyldodeca-2,4,6,8,10-pentaenedial
ar-Turmerone
(+)-(S)-ar-turmerone is a sesquiterpenoid that is 2-methylhept-2-en-4-one substituted by a 4-methylphenyl group at position 6. It has been isolated from Peltophorum dasyrachis. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and a plant metabolite. It is a sesquiterpenoid and an enone. ar-Turmerone is a natural product found in Curcuma amada, Curcuma longa, and other organisms with data available. A sesquiterpenoid that is 2-methylhept-2-en-4-one substituted by a 4-methylphenyl group at position 6. It has been isolated from Peltophorum dasyrachis. Ar-turmerone, also known as aromatic-turmerone, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Ar-turmerone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Ar-turmerone can be found in turmeric, which makes ar-turmerone a potential biomarker for the consumption of this food product. ar-Turmerone ((+)-ar-Turmerone) is a major bioactive compound of the herb Curcuma longa with anti-tumorigenesis and anti-inflammatory activities[1][2][3]. ar-Turmerone activates apoptotic protein in human lymphoma U937 cells[3]. ar-Turmerone exerts positive modulation on murine DCs. ar-Turmerone induces NSC proliferation and constitutes a promising therapeutic agent for various neurologic disorders[4][5]. ar-Turmerone ((+)-ar-Turmerone) is a major bioactive compound of the herb Curcuma longa with anti-tumorigenesis and anti-inflammatory activities[1][2][3]. ar-Turmerone activates apoptotic protein in human lymphoma U937 cells[3]. ar-Turmerone exerts positive modulation on murine DCs. ar-Turmerone induces NSC proliferation and constitutes a promising therapeutic agent for various neurologic disorders[4][5].
(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid
3-(1-hydroxyhexyl)-5-(hydroxymethyl)oxolan-2-one
5-(hydroxymethyl)-3-(1-hydroxy-4-methylpentyl)oxolan-2-one
C10H16O5_(4S,5S,6E,8S,10R)-4,5,8-Trihydroxy-10-methyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one
UNDECANEDIOIC ACID
An alpha,omega-dicarboxylic acid that is nonane with two carboxylic acid groups at positions C-1 and C-9. Undecanedioic acid is associated with intercellular matrix macromolecules and specifically with elastin.
(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid
5-(hydroxymethyl)-3-(1-hydroxy-4-methylpentyl)oxolan-2-one
N-Acetylarginine
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; SNEIUMQYRCDYCH-LURJTMIESA-N_STSL_0226_N-Acetylarginine_0500fmol_190114_S2_LC02MS02_072; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.
(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000848005]
(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid [IIN-based: Match]
FA 11:1;O2
CONFIDENCE standard compound; INTERNAL_ID 476; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4427; ORIGINAL_PRECURSOR_SCAN_NO 4423 CONFIDENCE standard compound; INTERNAL_ID 476; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4442; ORIGINAL_PRECURSOR_SCAN_NO 4441 CONFIDENCE standard compound; INTERNAL_ID 476; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4399; ORIGINAL_PRECURSOR_SCAN_NO 4398 CONFIDENCE standard compound; INTERNAL_ID 476; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4432; ORIGINAL_PRECURSOR_SCAN_NO 4430 CONFIDENCE standard compound; INTERNAL_ID 476; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4426; ORIGINAL_PRECURSOR_SCAN_NO 4424 CONFIDENCE standard compound; INTERNAL_ID 476; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4416; ORIGINAL_PRECURSOR_SCAN_NO 4412 Undecanedioic acid is associated with intercellular matrix macromolecules and specifically with elastin.
5-(hydroxymethyl)-3-(1-hydroxy-4-methylpentyl)oxolan-2-one_major
(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid_84.7\\%
(3S,4R)-3-[(1S)-1-hydroxyhexyl]-4-(hydroxymethyl)oxolan-2-one_major
(2R)-2-[(2R,5S)-5-[(2S)-2-hydroxybutyl]oxolan-2-yl]propanoic acid_major
3Alpha-Hydroxy-4,4-Bisnor-8,11,13-Podocarpatriene_major
(3S,4R)-3-[(1S)-1-Hydroxyhexyl]-4-(hydroxymethyl)oxolan-2-one
Naproxol
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Ac-Arg-OH
N-Acetyl-L-arginine (Ac-Arg-OH) is one of the guanidino compounds found elevated in the serum of an hemodialyzed renal insufficient (uremic) pediatric population.
THR-Pro
A dipeptide formed from L-threonine and L-proline residues.
Val-val
A dipeptide formed from two L-valine residues. H-VAL-VAL-OH is a dipeptide of the amino acid valine, an essential amino acid[1].
Nb-Acetyl-Nb-methyltryptamine
C13H16N2O (216.12625659999998)
&alpha
α-Hexylcinnamaldehyde, a compound derived from Cinnamaldehyde. α-Hexylcinnamaldehyde has the potential antimutagenic and chemosensitizing properties. α-Hexylcinnamaldehyde is widely used as an ingredient in many personal care, and as an additive in food and the pharmaceutical industry[1].
2-amino-N-(2,2,4,4-tetramethylthietan-3-yl)propanamide
Ar-tumerone
ar-Turmerone ((+)-ar-Turmerone) is a major bioactive compound of the herb Curcuma longa with anti-tumorigenesis and anti-inflammatory activities[1][2][3]. ar-Turmerone activates apoptotic protein in human lymphoma U937 cells[3]. ar-Turmerone exerts positive modulation on murine DCs. ar-Turmerone induces NSC proliferation and constitutes a promising therapeutic agent for various neurologic disorders[4][5]. ar-Turmerone ((+)-ar-Turmerone) is a major bioactive compound of the herb Curcuma longa with anti-tumorigenesis and anti-inflammatory activities[1][2][3]. ar-Turmerone activates apoptotic protein in human lymphoma U937 cells[3]. ar-Turmerone exerts positive modulation on murine DCs. ar-Turmerone induces NSC proliferation and constitutes a promising therapeutic agent for various neurologic disorders[4][5].
5beta-1,3,7(11)-Eudesmatrien-8-one
1,2-Dehydro-a-cyperone
Sakacin P
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D001430 - Bacteriocins
Thiourea,N-(1-cyclopropyl-2-methoxyethyl)-N-propyl-
3-[4-(1,1-Dimethylpropyl)phenyl]-2-methyl-2-propenal
3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-3-OXO-PROPIONICACID
3-TERT-BUTYL-1-PHENYL-2-PYRAZOLIN-5-ONE
C13H16N2O (216.12625659999998)
potassium dodecahydrododecaborate hydrate
B10H12K2O (216.10927619999998)
Propanedioic acid,2-methyl-2-propyl-, 1,3-diethyl ester
6-FLUORO-3-(1,2,3,6-TETRAHYDRO-PYRIDIN-4-YL)-1H-INDOLE
1-Piperazinecarboxylicacid, 4-(3-hydroxypropyl)-, ethyl ester
TERT-BUTYL ((3R,5R)-5-(HYDROXYMETHYL)PYRROLIDIN-3-YL)CARBAMATE HYDROCHLORIDE
1-benzyl-4-cyano-4-hydroxypiperidine
C13H16N2O (216.12625659999998)
(7S)-7-amino-5-benzyl-5-azaspiro[2.4]heptan-4-one
C13H16N2O (216.12625659999998)
5-BUTYL-3-(P-TOLYL)-1,2,4-OXADIAZOLE
C13H16N2O (216.12625659999998)
2-[(4-hydroxypiperidin-1-yl)methyl]benzonitrile
C13H16N2O (216.12625659999998)
4-[(4-hydroxypiperidin-1-yl)methyl]benzonitrile
C13H16N2O (216.12625659999998)
2-(4-hydroxypiperidin-1-yl)-2-phenylacetonitrile
C13H16N2O (216.12625659999998)
tert-butyl 3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate
3-Nitro-pyrrolidine-1-carboxylic acid tert-butyl ester
3-Cyano-4-(5,5-Dimethyl-[1,3,2]Dioxaborinan-2-Yl)-Pyridine
C11H13BN2O2 (216.10700280000003)
DIETHYL1,4-DIHYDRO-2,6-DIMETHYL-1,4-DIPHENYL-3,5-PYRIDINEDICARBOXYLATE
5-FLUORO-3-(1,2,3,6-TETRAHYDRO-PYRIDIN-4-YL)-1H-INDOLE
Carbamicacid,N-[(3S,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]-,1,1-dimethylethylester
(R)-TERT-BUTYL (1-AMINO-3-METHYL-1-OXOBUTAN-2-YL)CARBAMATE
7-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
2-(PYRIDIN-3-YL)-5-(PYRROLIDIN-2-YL)-1,3,4-OXADIAZOLE
C11H12N4O (216.10110619999998)
tert-butyl 3-amino-4-hydroxypiperidine-1-carboxylate
3,3,6,8-TETRAMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENE-1,2-DIONE
4-[(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)METHYL]BENZENOL
C13H16N2O (216.12625659999998)
4-(2-methoxyphenyl)piperidine-4-carbonitrile
C13H16N2O (216.12625659999998)
[3-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl] boronic acid
C11H13BN2O2 (216.10700280000003)
8a-phenyl-hexahydroimidazo[1,2-a]pyridin-5(1H)-one
C13H16N2O (216.12625659999998)
METHACRYLOXYPROPYLDIMETHYLMETHOXYSILANE
C10H20O3Si (216.11816500000003)
4-Cyanopyridine-3-boronic acid neopentyl glycol ester
C11H13BN2O2 (216.10700280000003)
2-Cyano-N-[1-(4-ethylphenyl)ethyl]acetamide
C13H16N2O (216.12625659999998)
Acetonitrile,2,2,2,2-(1,2-ethanediyldinitrilo)tetrakis-
2-(p-Tolyl-hydrazono)-cyclohexanone
C13H16N2O (216.12625659999998)
Propanedioic acid,2-(1,1-dimethylethyl)-, 1,3-diethyl ester
tert-Butyl 2-(tetrahydro-2H-pyran-4-yl)hydrazinecarboxylate
2-Amino-5-(4-methylpiperazinyl)benzenecarbonitrile
tert-butyl 3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate
3-(tert-Butyl)-1-(pyridin-4-yl)-1H-pyrazol-5-amine
5-tert-Butyl-3-p-tolyl-1,2,4-oxadiazole
C13H16N2O (216.12625659999998)
(2S,4S)-1-BOC-2-hydroxyMethyl-4-amino Pyrrolidine-HCl
6-Methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine
C13H16N2O (216.12625659999998)
N-ISOBUTYL-1H-INDOLE-5-CARBOXAMIDE
C13H16N2O (216.12625659999998)
1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-amine
tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate
tert-butyl 2-(hydroxymethyl)piperazine-1-carboxylate
1H-Imidazole-4-carboxamide,5-amino-N-(2-methylphenyl)-(9CI)
C11H12N4O (216.10110619999998)
tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
(2R,4S)-1-BOC-2-HYDROXYMETHYL-4-AMINOPYRROLIDINE HYDROCHLORIDE
3-(4-Piperidinyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
5-(2-Methyl-2-propanyl)-2-(4-pyridinyl)-3-furanamine
C13H16N2O (216.12625659999998)
(R)-3-(Aminomethyl)morpholine-4-carboxylic acid tert-butyl ester
2,3-dimethyl-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-4-amine
C13H16N2O (216.12625659999998)
TRANS-TERT-BUTYL 3-AMINO-4-METHOXYPYRROLIDINE-1-CARBOXYLATE
1-PENTYL-1H-BENZIMIDAZOLE-2-CARBALDEHYDE
C13H16N2O (216.12625659999998)
1-Benzyl-3-hydroxypiperidine-3-carbonitrile
C13H16N2O (216.12625659999998)
(4-(3,5-Dimethyl-1H-pyrazol-1-yl)phenyl)boronic acid
C11H13BN2O2 (216.10700280000003)
(2E,4E)-6-(4-CHLORO-PHENYLSULFANYL)-HEXA-2,4-DIENOICACIDHYDROXYAMIDE
C13H16N2O (216.12625659999998)
2,2-[(2,2-Dimethyl-1,3-propanediyl)bis(oxymethylene)]dioxirane
1-Chloro-5-triethylsilyl-4-pentyne
C11H21ClSi (216.11009760000002)
tert-butyl (3R,5S)-5-(hydroxymethyl)pyrrolidin-3-ylcarbamate
5-(PIPERAZIN-1-YL)-2,3-DIHYDRO-1H-INDEN-1-ONE
C13H16N2O (216.12625659999998)
3,5-DIMETHYL-4-(2-PHENOXYETHYL)-PYRAZOLE
C13H16N2O (216.12625659999998)
tert-butyl (2S)-2-(hydroxymethyl)piperazine-1-carboxylate
1,2,3,4-tetrahydronaphthalen-1-ylidine acetatic acid ethyl ester
1-(2,3-Dimethylphenyl)-1-(1H-imidazol-4-yl)ethanol
C13H16N2O (216.12625659999998)
tert-butyl (S)-2-((aminooxy)methyl)pyrrolidine-1-carboxylate
Propanedioic acid,2-methyl-2-(1-methylethyl)-, 1,3-diethyl ester
2H-SPIRO[ISOQUINOLINE-1,4-PIPERIDIN]-3(4H)-ONE
C13H16N2O (216.12625659999998)
10-METHYL-2,3,6,7-TETRAHYDRO-1H-PYRAZINO[2,1-A]ISOQUINOLIN-4(11BH)-ONE
C13H16N2O (216.12625659999998)
1-Cyclopentene-1-carboxylicacid,2-p-methylbenzyl-(5CI)
Oxantel
C13H16N2O (216.12625659999998)
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CC - Tetrahydropyrimidine derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
1-(4-Piperidinyl)-1,3-dihydro-2H-indol-2-one
C13H16N2O (216.12625659999998)
3-(4-HYDROXY-PIPERIDIN-1-YLMETHYL)-BENZONITRILE
C13H16N2O (216.12625659999998)
(2R,4S)-2-Hydroxymethyl-4-Boc-aminopyrrolidine hydrochloride
5-Methyl-2-piperidin-4-yl-1,3-benzoxazole
C13H16N2O (216.12625659999998)
6-Methyl-2-piperidin-4-yl-1,3-benzoxazole
C13H16N2O (216.12625659999998)
2-Cyanopyridine-3-boronic acid neopentyl glycol ester
C11H13BN2O2 (216.10700280000003)
cyanoiminomethylideneazanide,4-(3-methylimidazol-3-ium-1-yl)butanenitrile
N N-DIETHYL-1H-INDOLE-1-CARBOXAMIDE
C13H16N2O (216.12625659999998)
2-Propen-1-one,3-phenyl-1-(1-piperazinyl)-
C13H16N2O (216.12625659999998)
2-Methyl-N-ethyl-N-(2-cyanoethyl)-4-aminobenzaldehyde
C13H16N2O (216.12625659999998)
1-(1H-benzimidazol-2-yl)-1,3-diazinan-2-one
C11H12N4O (216.10110619999998)
2-METHOXY-4-PIPERIDIN-4-YL-BENZONITRILE
C13H16N2O (216.12625659999998)
Dianicline
C13H16N2O (216.12625659999998)
C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist > C73579 - Nicotinic Agonist
Spiro[1-azabicyclo[2.2.2]octane-3,2(3H)-furo[2,3-b]pyridine], (2R)-
C13H16N2O (216.12625659999998)
Proxyfan
C13H16N2O (216.12625659999998)
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists
6-ethyl-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
C11H12N4O (216.10110619999998)
2-(2-Cyclohexylidenehydrazinyl)cyclohepta-2,4,6-trien-1-one
C13H16N2O (216.12625659999998)
5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one
C13H16N2O (216.12625659999998)
1H-Indeno[5,6-c]furan-1-one, 3,5,6,7-tetrahydro-6,6,8-trimethyl-
[(2R)-3-carboxy-2-(prop-2-enoyloxy)propyl]trimethylazanium
1H-Inden-1-one, 5-(1,1-dimethylethyl)-2,3-dihydro-3,3-dimethyl-
PYRIMIDO(3,4-a)INDOLE, 1,2,3,4-TETRAHYDRO-7-METHOXY-5-METHYL-
C13H16N2O (216.12625659999998)
1H-Inden-1-one, 7-(1,1-dimethylethyl)-2,3-dihydro-3,3-dimethyl-
2-[(2S,4S)-2-[(1S)-1-aminoethyl]-4-(aminomethyl)-5-oxoimidazolidin-1-yl]acetic acid
Furanodiene
532-65-0
ar-Turmerone ((+)-ar-Turmerone) is a major bioactive compound of the herb Curcuma longa with anti-tumorigenesis and anti-inflammatory activities[1][2][3]. ar-Turmerone activates apoptotic protein in human lymphoma U937 cells[3]. ar-Turmerone exerts positive modulation on murine DCs. ar-Turmerone induces NSC proliferation and constitutes a promising therapeutic agent for various neurologic disorders[4][5]. ar-Turmerone ((+)-ar-Turmerone) is a major bioactive compound of the herb Curcuma longa with anti-tumorigenesis and anti-inflammatory activities[1][2][3]. ar-Turmerone activates apoptotic protein in human lymphoma U937 cells[3]. ar-Turmerone exerts positive modulation on murine DCs. ar-Turmerone induces NSC proliferation and constitutes a promising therapeutic agent for various neurologic disorders[4][5].
5-tert-Butyl-3,3-dimethyl-1-indanone
(1S)-6-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline
C13H16N2O (216.12625659999998)
(3R,4R)-3-[(1S)-1-hydroxy-4-methylpentyl]-4-(hydroxymethyl)oxolan-2-one
(3R,4R)-3-[(1S)-1-Hydroxyhexyl]-4-(hydroxymethyl)oxolan-2-one
4-(1-methyl-5-hydroxy-2-pyrrolidinyl)-3-oxobutanoate methyl ester
(1S,8S)-4,8,10,10-tetramethyl-9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
[(2S,3R)-2-Amino-3-hydroxybutanoyl] (2S)-pyrrolidine-2-carboxylate
[(2S)-3-carboxy-2-prop-2-enoyloxypropyl]-trimethylazanium
6-(4-Methoxyphenyl)pyrimidine-2,4-diamine
C11H12N4O (216.10110619999998)
4-methyl-3-phenyl-1H-pyrazole-5-carbohydrazide
C11H12N4O (216.10110619999998)
3-(ethylaminomethyl)-6-methyl-1H-quinolin-2-one
C13H16N2O (216.12625659999998)
(3-Amino-1,2,4-triazol-4-yl)-(2,5-dimethylphenyl)methanone
C11H12N4O (216.10110619999998)
(R)-2-Amino-N-(2,2,4,4-tetramethyl-3-thietanyl)propanamide
2-Methoxy-4-(1-methyl-4-pyridin-1-iumyl)phenol
C13H14NO2+ (216.10244840000001)
Heptanoic acid, 6-oxo-, trimethylsilyl ester
C10H20O3Si (216.11816500000003)
6-Methoxy-3-methyl-1,2,3,4-tetrahydro-gamma-carboline
C13H16N2O (216.12625659999998)
Cirazoline
C13H16N2O (216.12625659999998)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D019141 - Respiratory System Agents > D014663 - Nasal Decongestants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents
gamma-glutamyl-gamma-aminobutyraldehyde zwitterion
An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of gamma-glutamyl-gamma-aminobutyraldehyde; major species at pH 7.3.
Hexyl cinnamaldehyde
α-Hexylcinnamaldehyde, a compound derived from Cinnamaldehyde. α-Hexylcinnamaldehyde has the potential antimutagenic and chemosensitizing properties. α-Hexylcinnamaldehyde is widely used as an ingredient in many personal care, and as an additive in food and the pharmaceutical industry[1].
Butyl butyryllactate
A diester resulting from the formal condensation of the carboxy group of 2-(butanoyloxy)propanoic acid with butan-1-ol.
Efaroxan
C13H16N2O (216.12625659999998)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide
C13H16N2O (216.12625659999998)
3-(4-Hydroxy-3-(3-methyl-2-butenyl)phenyl)-2-propenal
Bisorcic
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
ethyl 3-methylbutyl butanedioate
A dieter obtained by the forma condensation of the two carboxy groups of succinic acid with ethanol and 3-methylbutanol respectively.
N(alpha)-acetyl-L-arginine
An N-acetyl-L-amino acid that is L-arginine in which one of the hydrogens attached to the nitrogen is replaced by an acetyl group.