Exact Mass: 216.147385
Exact Mass Matches: 216.147385
Found 500 metabolites which its exact mass value is equals to given mass value 216.147385,
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)
12-Hydroxydodecanoic acid
12-hydroxydodecanoic acid is the substrate of the human glutathione-dependent formaldehyde dehydrogenase (EC1.1.1.1). The enzyme that catalyzes the conversion of alcohols to aldehydes is a zinc-containing dimeric enzyme responsible for the oxidation of long-chain alcohols and omega-hydroxy fatty acids. (OMIM). The human glutathione-dependent formaldehyde dehydrogenase is unique among the structurally studied members of the alcohol dehydrogenase family in that it follows a random bi kinetic mechanism forming a binary complex, and a ternary complex with NAD+. (PMID 12196016). 12-hydroxydodecanoic acid is the substrate of the human glutathione-dependent formaldehyde dehydrogenase (EC1.1.1.1) . The enzyme that catalyzes the conversion of alcohols to aldehydes is a zinc-containing dimeric enzyme responsible for the oxidation of long-chain alcohols and omega-hydroxy fatty acids. (OMIM) 12-Hydroxydodecanoic acid is an endogenous metabolite.
7-hydroxylauric acid
A hydroxy fatty acid comprising lauric acid carrying a single hydroxy substituent at position 7.
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.
3-hydroxylaurate
3-Hydroxydodecanoic acid (CAS: 1883-13-2) is a medium-chain fatty acid associated with fatty acid metabolic disorders (PMID: 11948802). Deficiency of medium-chain acyl-CoA dehydrogenase is characterized by an intolerance to prolonged fasting, recurrent episodes of hypoglycemic coma with medium-chain dicarboxylic aciduria, impaired ketogenesis, and low plasma and tissue carnitine levels (OMIM: 201450). 3-Hydroxydodecanoic acid is also a microbial metabolite found in Acinetobacter, Moraxella, and Pseudomonas (PMID: 21687748). 3-Hydroxydodecanoic acid has been identified in the human placenta (PMID: 32033212). 3-Hydroxydodecanoic acid is a medium-chain fatty acid associated with fatty acid metabolic disorders (PMID 11948802). Deficiency of medium-chain acyl-CoA dehydrogenase is characterized by intolerance to prolonged fasting, recurrent episodes of hypoglycemic coma with medium-chain dicarboxylic aciduria, impaired ketogenesis, and low plasma and tissue carnitine levels. (OMIM 201450) [HMDB] 3-Hydroxydodecanoic acid is a medium-chain fatty acid associated with fatty acid metabolic disorders.
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].
(R)-3-Hydroxydodecanoic acid
In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation.(R)-3-Hydroxydodecanoic acid is an intermediate in fatty acid biosynthesis. Specifically,(R)-3-Hydroxydodecanoic acid is converted from 3-Oxo-Dodecanoic acid via two enzymes; fatty-acid Synthase and 3-oxoacyl-[acyl-carrier-protein] reductase (EC: 2.3.1.85 and EC: 1.1.1.100) [HMDB] In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation.(R)-3-Hydroxydodecanoic acid is an intermediate in fatty acid biosynthesis. Specifically,(R)-3-Hydroxydodecanoic acid is converted from 3-Oxo-Dodecanoic acid via two enzymes; fatty-acid Synthase and 3-oxoacyl-[acyl-carrier-protein] reductase (EC: 2.3.1.85 and EC: 1.1.1.100). 12-Hydroxydodecanoic acid is an endogenous metabolite.
(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.
xi-5-Hydroxydodecanoic acid
Present as triglycerides in milk and butterfat. xi-5-Hydroxydodecanoic acid is found in milk and milk products. xi-5-Hydroxydodecanoic acid is found in milk and milk products. Present as triglycerides in milk and butterfat.
1,10-Oxidocalamenene
1,10-Oxidocalamenene belongs to the family of Sesquiterpenes. These are terpenes with three consecutive isoprene units
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)
N-OMEGA-PROPYL-L-ARGININE
C9H20N4O2 (216.15861800000002)
n-propyl-l-arginine
C9H20N4O2 (216.15861800000002)
7-Methoxy-1-methyl-4,4a,9,9a-tetrahydro-1H-pyrido[3,4-b]indole
C13H16N2O (216.12625659999998)
Dehydronootkatone
It is used as a food additive .
(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)
Propanoic acid 2-methyl-3-hydroxy-2,4,4-trimethylpentyl ester
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
(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
2-(1,2-Dimethylbicyclo[3.1.0]hexane-2-yl)-5-methylphenol
(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
Cyclopentanone, 3,3,4-trimethyl-4-(4-methylphenyl)-
(6S,10S)-3,10-dimethyl-7,11-dimethylidenespiro[5,5]undec-2-en-4-one
7-methyl-7-(4-methylpenta-1,3-dienyl)-4,5,6,7-tetrahydrobenzofuran
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
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)
Adrenoglomerulotropin
C13H16N2O (216.12625659999998)
SubCategory_DNP: : Alkaloids derived from tryptophan, beta-Carboline alkaloids, Indole alkaloids
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
Propanoic acid, 2-methyl-, 3-hydroxy-2,4,4-trimethylpentyl ester
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
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.
12-Hydroxydodecanoic acid
12-Hydroxydodecanoic acid is an endogenous metabolite.
(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
Omega-hydroxydodecanoate
12-Hydroxydodecanoic acid is an endogenous metabolite.
(3S,4R)-3-[(1S)-1-Hydroxyhexyl]-4-(hydroxymethyl)oxolan-2-one
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
Thiourea,N-(1-cyclopropyl-2-methoxyethyl)-N-propyl-
Silane, (1,1-dimethylethyl)[(1-ethoxycyclopropyl)oxy]dimethyl- (9CI)
3-[4-(1,1-Dimethylpropyl)phenyl]-2-methyl-2-propenal
3-TERT-BUTYL-1-PHENYL-2-PYRAZOLIN-5-ONE
C13H16N2O (216.12625659999998)
Propanedioic acid,2-methyl-2-propyl-, 1,3-diethyl ester
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)
(4aR,7aR)-octahydro-6-(phenylmethyl)-1H-Pyrrolo[3,4-b]pyridine
(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
Carbamicacid,N-[(3S,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]-,1,1-dimethylethylester
(R)-TERT-BUTYL (1-AMINO-3-METHYL-1-OXOBUTAN-2-YL)CARBAMATE
tert-butyl 3-amino-4-hydroxypiperidine-1-carboxylate
[1-({[Dimethyl(2-methyl-2-propanyl)silyl]oxy}methyl)cyclopropyl]m ethanol
4-[(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)METHYL]BENZENOL
C13H16N2O (216.12625659999998)
1H-Benzimidazole,2-(2,2-dimethylpropyl)-1-ethyl-(9CI)
4-(2-methoxyphenyl)piperidine-4-carbonitrile
C13H16N2O (216.12625659999998)
8a-phenyl-hexahydroimidazo[1,2-a]pyridin-5(1H)-one
C13H16N2O (216.12625659999998)
(1R,5S)-endo-8-Benzyl-8-azabicyclo[3.2.1]octan-3-amine
2-Cyano-N-[1-(4-ethylphenyl)ethyl]acetamide
C13H16N2O (216.12625659999998)
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
(1-hydroxy-2,4,4-trimethylpentan-3-yl) 2-methylpropanoate
tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate
tert-butyl 2-(hydroxymethyl)piperazine-1-carboxylate
(s,s)-6-benzyl-octahydro-pyrrolo[3,4-b]pyridine dihydrochloride
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)
2-(1,1-Dimethylethyl)-3-(1-methylethyl)-2H-indazole
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)
(2E,4E)-6-(4-CHLORO-PHENYLSULFANYL)-HEXA-2,4-DIENOICACIDHYDROXYAMIDE
C13H16N2O (216.12625659999998)
(7-BENZYL-7-AZABICYCLO[2.2.1]HEPTAN-1-YL)METHANAMINE
2,2-[(2,2-Dimethyl-1,3-propanediyl)bis(oxymethylene)]dioxirane
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
.cents.cis-2,8-diaza-2-benzyl-bicyclo[4.3.0]nonane
1-(2,3-Dimethylphenyl)-1-(1H-imidazol-4-yl)ethanol
C13H16N2O (216.12625659999998)
{3-[(tert-butyldimethylsilyl)oxy]cyclobutyl}methanol
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)
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
1-Azabicyclo[2.2.2]octan-3-amine,N-(phenylmethyl)-
5-Methyl-2-piperidin-4-yl-1,3-benzoxazole
C13H16N2O (216.12625659999998)
6-Methyl-2-piperidin-4-yl-1,3-benzoxazole
C13H16N2O (216.12625659999998)
3,4-dihydro-1H-spiro[cyclohexane-1,2-quinolin]-7-aMine
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)
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
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)
[(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-
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
(11R)-11-hydroxylauric acid
An 11-hydroxylauric acid that has R configuration.
(S)-4-hydroxylauric acid
An optically active form of 4-hydroxylauric acid having (S)-configuration.
(R)-4-hydroxylauric acid
An optically active form of 4-hydroxylauric acid having (R)-configuration.
(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)-3-carboxy-2-prop-2-enoyloxypropyl]-trimethylazanium
3-(ethylaminomethyl)-6-methyl-1H-quinolin-2-one
C13H16N2O (216.12625659999998)
(R)-2-Amino-N-(2,2,4,4-tetramethyl-3-thietanyl)propanamide
4-Methyl-2-(5-hydroxy-3-methylpentoxy)-3,4,5,6-tetrahydro-2H-pyran
2,3,4-Trimethylpentanoic acid, trimethylsilyl ester
6-Methoxy-3-methyl-1,2,3,4-tetrahydro-gamma-carboline
C13H16N2O (216.12625659999998)
2-(4-Hydroxy-3,4-dimethylpentoxy)-3,4,5,6-tetrahydro-2H-pyran
4a,6,9a-Trimethyl-1,2,3,4,4a,9a-hexahydro-9H-pyrido[2,3-b]indole
4a,9,9a-Trimethyl-1,2,3,4,4a,9a-hexahydro-9H-pyrido[2,3-b]indole
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
11-hydroxylauric acid
A medium-chain fatty acid that is lauric acid substituted at position 11 by a hydroxy group.
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-Hydroxylauric acid
A medium-chain fatty acid that is the 3-hydroxylated derivative of lauric acid; associated with fatty acid metabolic disorders.
3-hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate
A carboxylic ester resulting from the formal condensation of the carboxy group of isobutyric acid with the 1-hydroxy group of 2,4,4-trimethylpentane-1,3-diol.
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.
9-hydroxylauric acid
A hydroxy fatty acid comprising lauric acid carrying a single hydroxy substituent at position 9.
12-Hydroxylauric acid
A medium-chain fatty acid that is the 12-hydroxylated derivative of lauric acid.
2-Hydroxylauric acid
A monohydroxy fatty acid with a lauric acid core substituted at position 2 by a hydroxy group, which confers chirality; a component of cellular lipids in Pseudomonas strains.
4-hydroxylauric acid
A hydroxy fatty acid comprising lauric acid carrying a hydroxy group at C-4.
(R)-3-hydroxylauric acid
The (R)-enantiomer of 3-hydroxylauric acid. An intermediate in fatty acid biosynthesis.
(1s,5r)-1,10-dimethyl-8-(prop-1-en-2-yl)spiro[4.5]deca-7,9-dien-6-one
(4ar,7r,7as)-4a,7,7a-trimethyl-4-methylidene-5h,6h,7h,8h-indeno[5,6-b]furan
(5r,6r)-6-ethenyl-3,6-dimethyl-5-(prop-1-en-2-yl)-5,7-dihydro-4h-1-benzofuran
4,5-dimethyl-3-(prop-1-en-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
2,2,5,9-tetramethyl-1h,7h,8h-cyclopenta[8]annulen-4-one
(3r,4s,7s)-4-hydroxy-7-[(2r)-2-hydroxybutyl]-3-methyloxepan-2-one
(3-hydroxybutan-2-yl)[(1e)-3-hydroxyhex-1-en-1-yl-oxo-λ⁵-azanylidene]amine
(6z,10s)-3,6,10-trimethyl-5,8,9,10-tetrahydrobenzo[8]annulen-2-ol
2-[(2s,8s,8ar)-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1h-naphthalen-2-yl]cycloprop-2-en-1-one
(3r)-2,2,3-trimethyl-3-(4-methylphenyl)cyclopentan-1-one
4,4-dimethyl-7-methylidene-4ah,5h,6h,8h,8ah,9h-naphtho[2,3-b]furan
2-(2,6-dimethylocta-1,5,7-trien-1-yl)-4-methylfuran
(1r,9s)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-triene
(5s)-1,5,8-trimethyl-4h,5h,5ah,6h,7h,9ah-naphtho[2,1-b]furan
(4as,7r)-1,4a-dimethyl-7-(prop-1-en-2-yl)-5,6,7,8-tetrahydronaphthalen-2-one
3,6,10-trimethyl-5,8,9,10-tetrahydrobenzo[8]annulen-2-ol
(3as)-3a-methyl-1-(prop-1-en-2-yl)-3,4,7,8-tetrahydro-2h-azulene-6-carbaldehyde
(4as,8as)-4,4,7-trimethyl-4ah,5h,6h,8ah,9h-naphtho[2,3-b]furan
(10r)-3,6,10-trimethyl-5,8,9,10-tetrahydrobenzo[8]annulen-2-ol
1,1,7,7a-tetramethyl-1ah,6h,7h,7bh-cyclopropa[a]naphthalen-5-one
(4ar,8ar)-4,4-dimethyl-7-methylidene-4ah,5h,6h,8h,8ah,9h-naphtho[2,3-b]furan
3-(4-methoxyphenyl)-3h,3ah,4h,5h,6h-pyrrolo[1,2-b]pyrazole
C13H16N2O (216.12625659999998)
(1r,4as,8as)-1,6-dimethyl-4-(prop-1-en-2-yl)-4a,7,8,8a-tetrahydro-1h-naphthalen-2-one
(2r)-2-{5-[(2s)-2-hydroxybutyl]oxolan-2-yl}propanoic acid
n-[2-(1h-indol-3-yl)ethyl]propanimidic acid
C13H16N2O (216.12625659999998)