Exact Mass: 228.1897
Exact Mass Matches: 228.1897
Found 436 metabolites which its exact mass value is equals to given mass value 228.1897,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Myristic acid
Tetradecanoic acid is an oily white crystalline solid. (NTP, 1992) Tetradecanoic acid is a straight-chain, fourteen-carbon, long-chain saturated fatty acid mostly found in milk fat. It has a role as a human metabolite, an EC 3.1.1.1 (carboxylesterase) inhibitor, a Daphnia magna metabolite and an algal metabolite. It is a long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a tetradecanoate. Myristic acid is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Myristic acid is a natural product found in Gladiolus italicus, Staphisagria macrosperma, and other organisms with data available. Myristic Acid is a saturated long-chain fatty acid with a 14-carbon backbone. Myristic acid is found naturally in palm oil, coconut oil and butter fat. Myristic acid is a saturated 14-carbon fatty acid occurring in most animal and vegetable fats, particularly butterfat and coconut, palm, and nutmeg oils. It is used to synthesize flavor and as an ingredient in soaps and cosmetics. (From Dorland, 28th ed). Myristic acid is also commonly added to a penultimate nitrogen terminus glycine in receptor-associated kinases to confer the membrane localisation of the enzyme. this is achieved by the myristic acid having a high enough hydrophobicity to become incorporated into the fatty acyl core of the phospholipid bilayer of the plasma membrane of the eukaryotic cell.(wikipedia). myristic acid is a metabolite found in or produced by Saccharomyces cerevisiae. A saturated 14-carbon fatty acid occurring in most animal and vegetable fats, particularly butterfat and coconut, palm, and nutmeg oils. It is used to synthesize flavor and as an ingredient in soaps and cosmetics. (From Dorland, 28th ed) See also: Cod Liver Oil (part of); Saw Palmetto (part of). Myristic acid, also known as tetradecanoic acid or C14:0, belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Myristic acid (its ester is called myristate) is a saturated fatty acid that has 14 carbons; as such, it is a very hydrophobic molecule that is practically insoluble in water. It exists as an oily white crystalline solid. Myristic acid is found in all living organisms ranging from bacteria to plants to animals, and is found in most animal and vegetable fats, particularly butterfat, as well as coconut, palm, and nutmeg oils. Industrially, myristic acid is used to synthesize a variety of flavour compounds and as an ingredient in soaps and cosmetics (Dorland, 28th ed). Within eukaryotic cells, myristic acid is also commonly conjugated to a penultimate N-terminal glycine residue in receptor-associated kinases to confer membrane localization of these enzymes (a post-translational modification called myristoylation via the enzyme N-myristoyltransferase). Myristic acid has a high enough hydrophobicity to allow the myristoylated protein to become incorporated into the fatty acyl core of the phospholipid bilayer of the plasma membrane of eukaryotic cells. Also, this fatty acid is known because it accumulates as fat in the body; however, its consumption also impacts positively on cardiovascular health (see, for example, PMID: 15936650). Myristic acid is named after the scientific name for nutmeg, Myristica fragrans, from which it was first isolated in 1841 by Lyon Playfair. Myristic acid, also known as 14 or N-tetradecanoic acid, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Thus, myristic acid is considered to be a fatty acid lipid molecule. Myristic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Myristic acid can be found in a number of food items such as strawberry, barley, nutmeg, and soy bean, which makes myristic acid a potential biomarker for the consumption of these food products. Myristic acid can be found primarily in most biofluids, including cerebrospinal fluid (CSF), blood, saliva, and feces, as well as throughout most human tissues. Myristic acid exists in all living species, ranging from bacteria to humans. In humans, myristic acid is involved in the fatty acid biosynthesis. Moreover, myristic acid is found to be associated with schizophrenia. Myristic acid is a non-carcinogenic (not listed by IARC) potentially toxic compound. Myristic acid (IUPAC systematic name: 1-tetradecanoic acid) is a common saturated fatty acid with the molecular formula CH3(CH2)12COOH. Its salts and esters are commonly referred to as myristates. It is named after the binomial name for nutmeg (Myristica fragrans), from which it was first isolated in 1841 by Lyon Playfair . A straight-chain, fourteen-carbon, long-chain saturated fatty acid mostly found in milk fat. Nutmeg butter has 75\\\% trimyristin, the triglyceride of myristic acid and a source from which it can be synthesised.[13] Besides nutmeg, myristic acid is found in palm kernel oil, coconut oil, butterfat, 8–14\\\% of bovine milk, and 8.6\\\% of breast milk as well as being a minor component of many other animal fats.[9] It is found in spermaceti, the crystallized fraction of oil from the sperm whale. It is also found in the rhizomes of the Iris, including Orris root.[14][15] Myristic acid is a saturated 14-carbon fatty acid occurring in most animal and vegetable fats, particularly butterfat and coconut, palm, and nutmeg oils. Myristic acid is a saturated 14-carbon fatty acid occurring in most animal and vegetable fats, particularly butterfat and coconut, palm, and nutmeg oils.
Leucylproline
Leucylproline is a dipeptide composed of leucine and proline. 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. It is found in urine (PMID: 3782411). A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of larger proteins. [HMDB]
Ethyl dodecanoate
Ethyl dodecanoate, also known as ethyl laurinate or laate ethyl ester, belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Ethyl dodecanoate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Present in various fruits, eg. apple, apricot, guava, melon, etc.and is also present in wheatbread, crispbread, ginger, whisky, fruit brandies and wine. flavouring agent. Ethyl dodecanoate is found in many foods, some of which are cereals and cereal products, guava, alcoholic beverages, and pomes.
11-Hydroxy-9-tridecenoic acid
11-Hydroxy-9-tridecenoic acid is found in fruits. 11-Hydroxy-9-tridecenoic acid is a constituent of Elaeagnus angustifolia (Russian olive) Constituent of Elaeagnus angustifolia (Russian olive). 11-Hydroxy-9-tridecenoic acid is found in fruits.
3-Methylbutyl nonanoate
3-Methylbutyl nonanoate is found in fruits. 3-Methylbutyl nonanoate is present in banana (Musa sapientum). 3-Methylbutyl nonanoate is a flavouring ingredient. Present in banana (Musa sapientum). Flavouring ingredient. 3-Methylbutyl nonanoate is found in fruits.
Hexyl octanoate
Hexyl octanoate is a flavouring ingredien Flavouring ingredient
2,6,10-Trimethylundecanoic acid
Accumulates in patients with deficiency of alpha-methylacyl-CoA racemase [HMDB] Accumulates in patients with deficiency of alpha-methylacyl-CoA racemase.
Dodecyl acetate
Dodecyl acetate is found in citrus. Dodecyl acetate is present in morello cherry, citrus peel oils and cardamom. Dodecyl acetate is a flavouring agent. Present in morello cherry, citrus peel oils and cardamom. Flavouring agent. Dodecyl acetate is found in citrus, herbs and spices, and fruits. Dodecyl acetate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=112-66-3 (retrieved 2024-12-12) (CAS RN: 112-66-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
12-Methyltridecanoic acid
12-Methyltridecanoic acid is found in fishes. 12-Methyltridecanoic acid occurs in Baltic salmon and sperm whal Occurs in Baltic salmon and sperm whale. 12-Methyltridecanoic acid is found in fishes.
Decyl butanoate
Decyl butanoate is a flavouring ingredient. Flavouring ingredient
Isoleucylproline
Isoleucylproline is a dipeptide composed of isoleucine and proline. 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. It is found in urine (PMID: 3782411).
Hexanal octane-1,3-diol acetal
Hexanal octane-1,3-diol acetal is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Undecanal propyleneglycol acetal
Undecanal propyleneglycol acetal is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Heptyl heptanoate
Heptyl heptanoate is used in food flavourin It is used in food flavouring.
Menthone 1,2-glyceryl ketal
Menthone 1,2-glyceryl ketal, also known as menthone glycerin acetal or menthyl glycerin acetal, is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. p-Menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Menthone 1,2-glyceryl ketal is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Menthone 1,2-glyceryl ketal is used as a food additive (EAFUS: Everything Added to Food in the United States). Menthone 1,2-glyceryl ketal is a flavour enhancer for chewing gum and other low moisture foods. Flavour enhancer for chewing gum and other low moisture foods
Menthyl lactate
Menthyl lactate is a flavouring ingredient. Flavouring ingredient
Nonyl isovalerate
Nonyl isovalerate is a flavouring ingredient. Flavouring ingredient
Menthone 1,3-glyceryl ketal
Menthone 1,3-glyceryl ketal is a flavouring ingredient especially for chewing gum. Flavouring ingredient especies for chewing gum
Isobutyl decanoate
Isobutyl decanoate belongs to the family of Fatty Acid Esters. These are carboxylic ester derivatives of a fatty acid.
10-Methyltridecanoic acid
10-Methyltridecanoic acid belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
N,N,N-Trimethyl-L-alanyl-L-proline betaine
N,N,N-Trimethyl-L-alanyl-L-proline betaine (TMAP) belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. TMAP was previously an unknown potential plasma biomarker for glomerular filtration rate (GFR) but its structure has since been elucidated (PMID: 28706470). TMAP has also been identified as a potential plasma biomarker of reduced kidney function in early chronic kidney disease (CKD), end stage renal disease (ESRD), and hemodialytic clearance (PMID: 31048706).
Indalpine
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D049990 - Membrane Transport Modulators
C14:0
Myristic acid is a saturated 14-carbon fatty acid occurring in most animal and vegetable fats, particularly butterfat and coconut, palm, and nutmeg oils. Myristic acid is a saturated 14-carbon fatty acid occurring in most animal and vegetable fats, particularly butterfat and coconut, palm, and nutmeg oils.
(all-E)-1,7,9,13-Heptadecatetraen-11-yne|heptadeca-1,7t,9t,13t-tetraen-11-yne|Heptadecatetraen-(1,7t,13t)-in-(11)|Heptadecatetraen-(1.7trans.9trans.13trans)-in-(11)
(1RS,2SR,4SR,4aSR,8aSR)-decahydro-4a,8,8-trimethylnaphthalene-1,2,4-triol|japonicumin D
(E)-4-(4-hydroxybenzylidene)-3,3,5-trimethyl-1,5-hexadiene|nodosol
(3R,9R)-2,8-dioxo-1,7-diazacyclododecane-3,9-diamine
Methyl tridecanoate
Methyl tridecanoate moderately inhibits β-amyloid aggregation. Methyl tridecanoate weakly inhibits acetylcholinesterase (AChE)[1]. Methyl tridecanoate moderately inhibits β-amyloid aggregation. Methyl tridecanoate weakly inhibits acetylcholinesterase (AChE)[1].
7a,10a-dimethyl-5,6,8,9,10,10a-hexahydro-4H,7aH-pyrrolo[3,2:4,5]pyrrolo[3,2,1-ij]quinoline
(3S,4S,5S,6S,9S)-3,4-dihydroxy-5,6-dihydro-beta-ionol
5-[3-(2-hydroxypropan-2-yl)oxiran-2-yl]-6-methylheptan-2-one
9-methyl-1,2,3,4-tetrahydro-9H-9a,4a-[1]azapropano-carbazole
Hexadeca-6,8,14-trien-10,12-diin-1-ol|Hexadeca-6t,8t,14t-trien-10,12-diin-1-ol|hexadeca-6t,8t,14t-triene-10,12-diyn-1-ol
(2E,6Z)-2,9-Heptadecadiene-4,6-diyne|2trans,9cis-Heptadecadien-(2.9)-diin-(4.6)|heptadeca-2t,9c-diene-4,6-diyne|Heptadecadien-(2t,9c)-diin-(4,6)
cis-Heptadecadien-(1.8)-diin-(11.13)|heptadeca-1,8c-diene-11,13-diyne|heptadeca-1,8Z-dien-11,13-diyne
(-)-(4E,7S)-7-methoxydodec-4-enoic acid|(4E,7S)-(-)-7-methoxydodec-4-enoic acid|(4E,7S)-7-methoxydodec-4-enoic acid
(2S,3S)-3-Methyl-2-((S)-pyrrolidine-2-carboxamido)pentanoic acid
methyl tridecylate
Methyl tridecanoate is a fatty acid methyl ester. Methyl tridecanoate is a natural product found in Astragalus mongholicus, Aplysina fistularis, and other organisms with data available. Methyl tridecanoate moderately inhibits β-amyloid aggregation. Methyl tridecanoate weakly inhibits acetylcholinesterase (AChE)[1]. Methyl tridecanoate moderately inhibits β-amyloid aggregation. Methyl tridecanoate weakly inhibits acetylcholinesterase (AChE)[1].
Menthyl lactate
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.307
Myristic Acid
Myristic acid is a saturated 14-carbon fatty acid occurring in most animal and vegetable fats, particularly butterfat and coconut, palm, and nutmeg oils. Myristic acid is a saturated 14-carbon fatty acid occurring in most animal and vegetable fats, particularly butterfat and coconut, palm, and nutmeg oils.
Indalpine
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D049990 - Membrane Transport Modulators
13-Methyl-4,4-Bisnor-8,11,13-Podocarpatrien-3-One_major
Hexyl octanoate
An octanoate ester obtained by the formal condensation of octanoic acid with hexan-1-ol.
TERT-BUTYL3-((METHYLAMINO)METHYL)PIPERIDINE-1-CARBOXYLATE
tert-Butyl 4-amino-4-ethylpiperidine-1-carboxylate
1H-Indole,3-(1-ethyl-3-pyrrolidinyl)-1-methyl-(9CI)
tert-butyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate
4-[(METHYLAMINO)METHYL]PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
S-1-Boc-3-Dimethylaminomethyl-pyrrolidine hydrochloride
(S)-3-CHLORO-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-Methyl-2-propanyl (3S)-3-(dimethylamino)-1-piperidinecarboxylat e
(S)-TERT-BUTYL 2-((ETHYLAMINO)METHYL)PYRROLIDINE-1-CARBOXYLATE
tert-butyl 4-(1-aminoethyl)piperidine-1-carboxylate
tert-butyl 5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxylate
(t-Butoxy)-N-[(3-aminocyclohexyl)methyl]carboxamide
(R)-3-ETHYLAMINO-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
tert-butyl N-(2-amino-1-cyclopentylethyl)carbamate
Tert-Butyl 4-Carbamimidoylpiperazine-1-Carboxylate
tert-butyl 4-amino-3,3-dimethylpiperidine-1-carboxylate
(2S,5R)-TERT-BUTYL 5-ETHYL-2-METHYLPIPERAZINE-1-CARBOXYLATE
ethyl 1-(dimethylcarbamoyl)piperidine-2-carboxylate
TERT-BUTYL 2-((METHYLAMINO)METHYL)PIPERIDINE-1-CARBOXYLATE
2-Methyl-2-propanyl 9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxy latato
3-PROPYLAMINO-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1,3-DIHYDRO-4-(5-FLUORO-2-HYDROXYPHENYL)-2H-1,5-BENZODIAZEPIN-2-ONE
TERT-BUTYL ((TRANS-4-AMINOCYCLOHEXYL)METHYL)CARBAMATE
2-(2-(1,3-Dioxolan-2-yl)ethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
(6S,2Z)-6,7-ISOPROPYLIDENEDIOXY-3,7-DIMETHYL-2-OCTEN-1-OL
N-(TRIMETHYLAMINE-BORANE-CARBONYL)PROLINE METHYL ESTER
2-TRIMETHYLSILYL-1-ETHYLBORONIC ACID PINACOL ESTER
(6S,2E)-6,7-Isopropylidenedioxy-3,7-dimethyl-2-octen-1-ol
3R,4R-4-Methyl-3-methylamino-piperidine-1-carboxylic acid tert-butyl ester
tert-butyl (3S)-3-acetamidopyrrolidine-1-carboxylate
ethyl 1-(dimethylcarbamoyl)piperidine-4-carboxylate
Vabicaserin
C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist C78272 - Agent Affecting Nervous System > C29728 - Anorexiant
tert-butyl 5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate
(2-PIPERIDIN-4-YL-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER
Silane, [(2E)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-butenyl]trimethyl- (9CI)
(2R,3E,5S)-1,2-Dihydroxy-5-isopropyl-2-methyl-3-nonen-8-one
(2S,3E,5S)-1,2-Dihydroxy-5-isopropyl-2-methyl-3-nonen-8-one
(5S,6S,7R)-8-Hydroxy-5-isopropyl-8-methyl-6,7-epoxynonan-2-one
3,3,5-Trimethyl-8-isopropyl-4,9-dioxabicyclo[3.3.1]nonan-2-ol
(4S)-6-(2-Hydroxy-2-propyl)-4-isopropyl-1-methyl-7,8-dioxabicyclo[3.2.1]octane
(E)-5-Isopropyl-6,7-epoxy-8-hydroxy-8-methylnon-2-one
2-Methyl-2-propanyl [1-(aminomethyl)cyclohexyl]carbamate
4-(Boc-aMinoMethyl)-4-Methylpiperidine hydrochloride
tert-Butyl (trans-4-(aminomethyl)cyclohexyl)carbamate
(2R)-2-[(ETHYLAMINO)METHYL]-1-PYRROLIDINECARBOXYLIC ACID,1,1-DIMETHYLETHYL ESTER
Silane, (2,3-dimethyl-2-butene-1,4-diyl)bis(trimethyl-, Z-
1,1,3,3-Tetramethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
2,4,5,7-Tetramethyl-1,2,3,4-tetrahydropyrimido[1,6-a]indole
Crodacid
Myristic acid is a saturated 14-carbon fatty acid occurring in most animal and vegetable fats, particularly butterfat and coconut, palm, and nutmeg oils. Myristic acid is a saturated 14-carbon fatty acid occurring in most animal and vegetable fats, particularly butterfat and coconut, palm, and nutmeg oils.
91558_FLUKA
Methyl tridecanoate moderately inhibits β-amyloid aggregation. Methyl tridecanoate weakly inhibits acetylcholinesterase (AChE)[1]. Methyl tridecanoate moderately inhibits β-amyloid aggregation. Methyl tridecanoate weakly inhibits acetylcholinesterase (AChE)[1].
polyisoprene
Isoprene, also known as 2-methyl-1,3-butadiene or 2-methyldivinyl, is a member of the class of compounds known as branched unsaturated hydrocarbons. Branched unsaturated hydrocarbons are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch. Isoprene can be found in carrot, sweet orange, and wild carrot, which makes isoprene a potential biomarker for the consumption of these food products. Isoprene, or 2-methyl-1,3-butadiene, is a common organic compound with the formula CH2=C(CH3)−CH=CH2. In its pure form it is a colorless volatile liquid. Isoprene is produced by many plants, and its polymers are the main component of natural rubber. C. G. Williams named the compound in 1860 after obtaining it from thermal decomposition (pyrolysis) of natural rubber; he correctly deduced the empirical formula C5H8 .
1-(2-Amino-4-methylpentanoyl)pyrrolidine-2-carboxylic acid
(2S)-1-[(2S)-2-azaniumyl-4-methylpentanoyl]pyrrolidine-2-carboxylate
(2S)-4-methyl-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]pentanoate
(2E)-13-hydroxytridec-2-enoic acid
An omega-hydroxy fatty acid that is tridecanoic acid that has been dehydrogenated to introduce a trans double bond at the 2-3 position and in which one of the hydrogens attached to the terminal methyl group is replaced by a hydroxy group.
(2E,12R)-12-hydroxytridec-2-enoic acid
An (omega-1)-hydroxy fatty acid that is (2E)-tridec-2-enoic acid in which the 12-pro-R hydrogen is replaced by a hydroxy group.
1-(2-Amino-3-methylpentanoyl)pyrrolidine-2-carboxylic acid
6-Methyl-3-propyl-1,2,3,4-tetrahydro-gamma-carboline
1,7-Trimethylene-2-methyl-3-(beta-aminopropyl)-indole
4-Methoxy-6-methyl-3-[(trimethylsilyl)methyl]-1-heptene
8,9-Ethylene-4A,9A-dimethyl-1,2,3,4,4A,9A-hexahydropyrido(2,3-B)indole
Leu-Pro zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Leu-Pro.
isobutyl decanoate
A decanoate ester obtained by the formal condensation of the carboxy group of decanoc acid (capric acid) with the alcoholic hydroxy group of isobutanol.
N-decanoylglycinate
An N-acylglycinate that is the conjugate base of N-decanoylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Isomyristic acid
A branched-chain saturated fatty acid consisting of tridecanoic acid carrying a 12-methyl group.
13-methyl-4,4-bisnorpodocarpa-8,11,13-trien-3-one
A tricyclic diterpenoidthat is 4a,7-dimethyl-3,4,4a,9,10,10a-hexahydrophenanthrene in which the methylene hydrogens at position 2 have been replaced by an oxo group.
4-[3,3-dimethyl-2-(prop-1-en-2-yl)penta-1,4-dien-1-yl]phenol
(3r,9r)-3,9-diamino-1,7-diazacyclododeca-1,7-diene-2,8-diol
n-[2-(hydroxyimino)-4-methylpentanoyl]-3-methylbutanimidic acid
(2r,5s,6r,8r)-2,6,10,10-tetramethyl-1-oxaspiro[4.5]decane-6,8-diol
1-hydroxy-4-[(1s,4s,6r)-4-hydroxy-2,2,6-trimethylcyclohexyl]butan-2-one
2-amino-4-methylpentanoyl pyrrolidine-2-carboxylate
(1s,4r)-1-[(3s)-3-hydroxybutyl]-2,6,6-trimethylcyclohex-2-ene-1,4-diol
1,8,13,15-heptadecatetraen-11-yne
{"Ingredient_id": "HBIN002073","Ingredient_name": "1,8,13,15-heptadecatetraen-11-yne","Alias": "NA","Ingredient_formula": "C17H24","Ingredient_Smile": "NA","Ingredient_weight": "228.37","OB_score": "NA","CAS_id": "75911-05-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9467","PubChem_id": "NA","DrugBank_id": "NA"}
(-)2d,4d,6d,8d-tetramethyl decanoic acid
{"Ingredient_id": "HBIN005488","Ingredient_name": "(-)2d,4d,6d,8d-tetramethyl decanoic acid","Alias": "NA","Ingredient_formula": "C14H28O2","Ingredient_Smile": "CCC(C)CC(C)CC(C)CC(C)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32049","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-octen-1-ol,7-[(tetrahydro-2H-pyran-2-yl)oxy]
{"Ingredient_id": "HBIN006222","Ingredient_name": "2-octen-1-ol,7-[(tetrahydro-2H-pyran-2-yl)oxy]","Alias": "NA","Ingredient_formula": "C13H24O3","Ingredient_Smile": "NA","Ingredient_weight": "228.33","OB_score": "34.08709571","CAS_id": "77758-38-4","SymMap_id": "SMIT05660","TCMID_id": "NA","TCMSP_id": "MOL003615","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-megastigmene-3,6,9-triol
{"Ingredient_id": "HBIN013307","Ingredient_name": "7-megastigmene-3,6,9-triol","Alias": "NA","Ingredient_formula": "C13H24O3","Ingredient_Smile": "CC1CC(CC(C1(C=CC(C)O)O)(C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13641","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
