Exact Mass: 298.2409
Exact Mass Matches: 298.2409
Found 500 metabolites which its exact mass value is equals to given mass value 298.2409,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pereirin
Geissoschizoline is an indole alkaloid that is (16alpha)-curan substituted by a hydroxy group at position 17. It has a role as an antiplasmodial drug and a metabolite. It is an indole alkaloid, a primary alcohol and an organic heteropentacyclic compound. An indole alkaloid that is (16alpha)-curan substituted by a hydroxy group at position 17.
Ricinoleic acid
Ricinoleic acid is found in corn. Ricinoleic acid occurs in castor oil and other oils e.g. grape and ergot (Claviceps purpurea) Ricinoleic acid (12-hydroxy-9-cis-octadecenoic acid) is an unsaturated omega-9 fatty acid that naturally occurs in mature Castor plant (Ricinus communis L., Euphorbiaceae) seeds or in sclerotium of ergot (Claviceps purpurea Tul., Clavicipitaceae). About 90\\% of the fatty acid content in castor oil is the triglyceride formed from ricinoleic acid. Ricinoleic acid is manufactured for industries by saponification or fractional distillation of hydrolyzed castor oil. The zinc salt is used in personal care products, such as deodorants Ricinoleic acid is a (9Z)-12-hydroxyoctadec-9-enoic acid in which the 12-hydroxy group has R-configuration.. It is a conjugate acid of a ricinoleate. Ricinoleic acid is a natural product found in Cephalocroton cordofanus, Crotalaria retusa, and other organisms with data available. See also: Polyglyceryl-6 polyricinoleate (monomer of); Polyglyceryl-4 polyricinoleate (monomer of); Polyglyceryl-5 polyricinoleate (monomer of) ... View More ... CONFIDENCE standard compound; INTERNAL_ID 219; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5632; ORIGINAL_PRECURSOR_SCAN_NO 5630 CONFIDENCE standard compound; INTERNAL_ID 219; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5657; ORIGINAL_PRECURSOR_SCAN_NO 5655 CONFIDENCE standard compound; INTERNAL_ID 219; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5730; ORIGINAL_PRECURSOR_SCAN_NO 5728 CONFIDENCE standard compound; INTERNAL_ID 219; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5665; ORIGINAL_PRECURSOR_SCAN_NO 5664 CONFIDENCE standard compound; INTERNAL_ID 219; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5630; ORIGINAL_PRECURSOR_SCAN_NO 5629 CONFIDENCE standard compound; INTERNAL_ID 219; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5665; ORIGINAL_PRECURSOR_SCAN_NO 5662 Occurs in castor oil and other oils e.g. grape and ergot (Claviceps purpurea)
Norethindrone
A synthetic progestational hormone with actions similar to those of progesterone but functioning as a more potent inhibitor of ovulation. It has weak estrogenic and androgenic properties. The hormone has been used in treating amenorrhea, functional uterine bleeding, endometriosis, and for contraception. [PubChem] CONFIDENCE standard compound; INTERNAL_ID 429; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4789; ORIGINAL_PRECURSOR_SCAN_NO 4788 INTERNAL_ID 429; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9046; ORIGINAL_PRECURSOR_SCAN_NO 9044 CONFIDENCE standard compound; INTERNAL_ID 429; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9061; ORIGINAL_PRECURSOR_SCAN_NO 9058 CONFIDENCE standard compound; INTERNAL_ID 429; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9106; ORIGINAL_PRECURSOR_SCAN_NO 9102 CONFIDENCE standard compound; INTERNAL_ID 429; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9046; ORIGINAL_PRECURSOR_SCAN_NO 9044 CONFIDENCE standard compound; INTERNAL_ID 429; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9063; ORIGINAL_PRECURSOR_SCAN_NO 9058 CONFIDENCE standard compound; INTERNAL_ID 429; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4892; ORIGINAL_PRECURSOR_SCAN_NO 4890 CONFIDENCE standard compound; INTERNAL_ID 429; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4826; ORIGINAL_PRECURSOR_SCAN_NO 4825 CONFIDENCE standard compound; INTERNAL_ID 429; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4801; ORIGINAL_PRECURSOR_SCAN_NO 4798 CONFIDENCE standard compound; INTERNAL_ID 429; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4810; ORIGINAL_PRECURSOR_SCAN_NO 4809 CONFIDENCE standard compound; INTERNAL_ID 429; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9085; ORIGINAL_PRECURSOR_SCAN_NO 9082 CONFIDENCE standard compound; INTERNAL_ID 429; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4809; ORIGINAL_PRECURSOR_SCAN_NO 4806 G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03A - Hormonal contraceptives for systemic use > G03AC - Progestogens G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03D - Progestogens > G03DC - Estren derivatives C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents CONFIDENCE standard compound; INTERNAL_ID 2798 CONFIDENCE standard compound; INTERNAL_ID 4150
9,10-Epoxystearic acid
9,10-epoxystearate, also known as 18:0(9ep) or 9,10-epoxystearic acid, 14c-acid, belongs to lineolic acids and derivatives class of compounds. Those are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. Thus, 9,10-epoxystearate is considered to be an octadecanoid lipid molecule. 9,10-epoxystearate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 9,10-epoxystearate can be found in a number of food items such as garden cress, silver linden, european chestnut, and soft-necked garlic, which makes 9,10-epoxystearate a potential biomarker for the consumption of these food products.
Norethynodrel
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents Same as: D05207
Nonadecanoic acid
Nonadecanoic acid, also known as n-nonadecanoic acid or nonadecylic acid or C19:0, 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, with nonadecanoic acid (its ester is called nonadecanoate) having 19 carbon atoms. Nonadecanoic acid is a very hydrophobic molecule, practically insoluble (in water). It is a solid with a melting point of 69.4°C. It can be found in bacteria, plants, and animals (including animal milk) (Nature 176:882; PMID: 14168161). It is secreted by termites (Rhinotermes marginalis) as part of its defence mechanism (Comp. Biochem. Physiol. B 71:731). Nonadecanoic acid is a C19 straight-chain fatty acid of plant or bacterial origin. An intermediate in the biodegradation of n-icosane, it has been shown to inhibit cancer growth. It has a role as a fungal metabolite. It is a straight-chain saturated fatty acid and a long-chain fatty acid. It is a conjugate acid of a nonadecanoate. Nonadecanoic acid is a natural product found in Staphisagria macrosperma, Malva sylvestris, and other organisms with data available. An odd-numbered long chain fatty acid, likely derived from bacterial or plant sources. Nonadecanoic acid has been found in ox fats and vegetable oils. It is also used by certain insects as a phermone. [HMDB]. A C19 straight-chain fatty acid of plant or bacterial origin. An intermediate in the biodegradation of n-icosane, it has been shown to inhibit cancer growth. Nonadecanoic acid is a 19-carbon long saturated fatty acid. Nonadecanoic acid is the major constituent of the substance secreted by Rhinotermes marginalis to defence[1]. Nonadecanoic acid is a 19-carbon long saturated fatty acid. Nonadecanoic acid is the major constituent of the substance secreted by Rhinotermes marginalis to defence[1].
Tuberculostearic acid
Tuberculostearic acid is the characteristic fatty acid of acid-fast bacteria of the order Actinomycetales. (PMID 3329256). Tuberculostearic acid (TBSA) is a mycobacterial cell wall constituent that is possible to measure in plasma samples of patients with active tuberculosis. (PMID 14723350). Detection of tuberculostearic acid in cerebrospinal fluid by use of gas chromatography-mass spectrometry has proven to be a very rapid, sensitive, and specific test for tuberculous meningitis. (PMID 8438134). Tuberculostearic acid can also be found in Actinomycetales (PMID: 109465). Tuberculostearic acid is the characteristic fatty acid of acid-fast bacteria of the order Actinomycetales. (PMID 3329256)
18-Hydroxyoleic acid
An omega-hydroxy fatty acid that is 18-hydroxyoctadecanoic acid which has been dehydrogenated to introduce a trans double bond at the 9-10 position.
Methyl stearate
Methyl stearate appears as white crystals or chunky solid. (NTP, 1992) Methyl stearate is a fatty acid methyl ester and an octadecanoate ester. It has a role as a metabolite. Methyl stearate is a natural product found in Cinnamomum kotoense, Hedysarum polybotrys, and other organisms with data available. A fatty acid methyl ester obtained by formal condensation of the carboxy group of octadecanoic (stearic) acid with the hydroxy group of methanol. A natural product found in Neolitsea daibuensis. Antifoaming agent and fermentation nutrient. Methyl stearate is found in cloves. Methyl stearate is found in cloves. Antifoaming agent and fermentation nutrient. Methyl stearate, isolated from Rheum palmatum L. is a compopent of of soybean and rapeseed biodiesels[1]. Methyl stearate, isolated from Rheum palmatum L. is a compopent of of soybean and rapeseed biodiesels[1].
9-Oxooctadecanoic acid
9-Oxooctadecanoic acid is found in milk and milk products. 9-Oxooctadecanoic acid is a trace constituent of milk fa Trace constituent of milk fat. 9-Oxooctadecanoic acid is found in milk and milk products.
3-(8,11,14-Pentadecatrienyl)phenol
3-(8,11,14-Pentadecatrienyl)phenol is found in nuts. 3-(8,11,14-Pentadecatrienyl)phenol is a constituent of lipids of Anacardium occidentale (cashew nut). Constituent of lipids of Anacardium occidentale (cashew nut). 3-(8,11,14-Pentadecatrienyl)phenol is found in nuts.
Juvocimene 2
Juvocimene 2 is found in herbs and spices. Juvocimene 2 is a constituent of the oil of Ocimum basilicum (sweet basil). Constituent of the oil of Ocimum basilicum (sweet basil). Juvocimene 2 is found in sweet basil and herbs and spices.
xi-16-Methyloctadecanoic acid
xi-16-Methyloctadecanoic acid is found in fishes. xi-16-Methyloctadecanoic acid occurs in butterfat and Baltic salmon. Occurs in butterfat and Baltic salmon. xi-16-Methyloctadecanoic acid is found in milk and milk products and fishes.
10-Oxooctadecanoic acid
10-Oxooctadecanoic acid is found in milk and milk products. 10-Oxooctadecanoic acid is a trace constituent of milk fa Trace constituent of milk fat. 10-Oxooctadecanoic acid is found in milk and milk products.
17-Methyloctadecanoic acid
17-Methyloctadecanoic acid, also known as 17-methylstearic acid, is a medium-chain saturated iso-fatty acid. 17-Methyloctadecanoic acid is found in fishes such as Baltic salmon. Occurs in Baltic salmon. xi-17-Methyloctadecanoic acid is found in fishes.
Pristanate
Pristanic acid (2,6,10,14-tetramethylpentadecanoic acid) is a terpenoid acid present at micromolar concentrations in the plasma of healthy individuals. It is also found in the lipids from many sources such as freshwater sponges, krill, earthworms, whales, human milk fat, bovine depot fat, butterfat or Californian petroleum. It is usually present in combination with phytanic acid. In humans, pristanic acid is obtained from two sources: either directly from the diet or as the alpha oxidation product of phytanic acid. At physiological concentrations pristanic acid is a natural ligand for PPARalpha. In liver, pristanic acid is degraded by peroxisomal beta oxidation to propionyl-CoA. Together with phytanic acid, pristanic acid accumulates in several inherited disorders such as Zellweger syndrome. Pristanic acid is a branched chain fatty acid that arises from the breakdown of phytanic acid. It is present at micromolar concentrations in the plasma of healthy individuals. Pristanic acid is normally degraded by peroxisomal beta-oxidation. In patients affected with generalized peroxisomal disorders, degradation of both phytanic acid and pristanic acid is impaired owing to absence of functional peroxisomes. Pristanic acid has been found to activate the peroxisome proliferator-activated receptor {alpha} (PPAR{alpha}) in a concentration dependent manner. Component of butterfat and sheep perinephric fat
5-Oxooctadecanoic acid
5-Oxooctadecanoic acid is found in milk and milk products. 5-Oxooctadecanoic acid is a trace constituent of milk fat. Trace constituent of milk fat. 5-Oxooctadecanoic acid is found in milk and milk products.
5-Hexyltetrahydro-2-furanoctanoic acid
5-Hexyltetrahydro-2-furanoctanoic acid is found in fats and oils. 5-Hexyltetrahydro-2-furanoctanoic acid is present in heat-treated soybean oi Present in heat-treated soybean oil. 5-Hexyltetrahydro-2-furanoctanoic acid is found in fats and oils and pulses.
11-Oxooctadecanoic acid
11-Oxooctadecanoic acid is found in milk and milk products. 11-Oxooctadecanoic acid is a trace constituent of milk fa Trace constituent of milk fat. 11-Oxooctadecanoic acid is found in milk and milk products.
Isopropyl hexadecanoate
Isopropyl hexadecanoate, also known as isopal or isopropyl palmitate, belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Isopropyl hexadecanoate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. It is used as a food additive
3-Oxooctadecanoic acid
3-Oxo-Octadecanoic acid is an intermediate in fatty acid biosynthesis. Specifically, 3-Oxo-Octadecanoic acid is converted from Malonic acid via the enzyme, beta-ketoacyl -acyl-carrier-protein synthase II. (E.C: 2.3.1.179). In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation. [HMDB] 3-Oxo-Octadecanoic acid is an intermediate in fatty acid biosynthesis. Specifically, 3-Oxo-Octadecanoic acid is converted from Malonic acid via the enzyme, beta-ketoacyl -acyl-carrier-protein synthase II. (E.C: 2.3.1.179). In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation.
4-Oxoretinal
4-Oxoretinal is a predominant retinoids during morphogenesis in mouse skin in vivo. Topical 4-oxoretinal and 4-oxoretinol promoted significant epidermal hyperplasia and metaplasia in mouse tail. They induced a moderate response for epidermal inflammation, compared with retinal, whereas neither 4-oxoretinal nor 4-oxoretinol prevented menadione-induced epidermal lipid peroxidation, unlike retinal and retinol. As analyzed by quantitative PCR, 4-oxoretinal and 4-oxoretinol did not reproduce the significant increased expression of genes coding for keratin 4, amphiregulin, heparin-EGF and CYP26A1, that did induce retinal and retinol. However, both retinal and 4-oxoretinal significantly inhibited the lipopolysaccharide-induced maturation of human dendritic cells in vitro. As analyzed in vivo and in vitro, 4-oxoretinal and 4-oxoretinol were not converted into retinoic acid. We conclude that 4-oxoretinal and 4-oxoretinol exert a moderate direct retinoid-like activity in vivo, thus confirming previous in vitro studies in amphibians showing 4-oxometabolites of vitamin A as bioactive agents rather than inactive catabolites. [HMDB] 4-Oxoretinal is a predominant retinoids during morphogenesis in mouse skin in vivo. Topical 4-oxoretinal and 4-oxoretinol promoted significant epidermal hyperplasia and metaplasia in mouse tail. They induced a moderate response for epidermal inflammation, compared with retinal, whereas neither 4-oxoretinal nor 4-oxoretinol prevented menadione-induced epidermal lipid peroxidation, unlike retinal and retinol. As analyzed by quantitative PCR, 4-oxoretinal and 4-oxoretinol did not reproduce the significant increased expression of genes coding for keratin 4, amphiregulin, heparin-EGF and CYP26A1, that did induce retinal and retinol. However, both retinal and 4-oxoretinal significantly inhibited the lipopolysaccharide-induced maturation of human dendritic cells in vitro. As analyzed in vivo and in vitro, 4-oxoretinal and 4-oxoretinol were not converted into retinoic acid. We conclude that 4-oxoretinal and 4-oxoretinol exert a moderate direct retinoid-like activity in vivo, thus confirming previous in vitro studies in amphibians showing 4-oxometabolites of vitamin A as bioactive agents rather than inactive catabolites.
4-Hydroxy-6-nonadecanone
4-Hydroxy-6-nonadecanone is found in fats and oils. 4-Hydroxy-6-nonadecanone is a constituent of the pollen of Helianthus annuus (sunflower) Constituent of the pollen of Helianthus annuus (sunflower). 4-Hydroxy-6-nonadecanone is found in fats and oils.
6-Hydroxy-4-nonadecanone
6-Hydroxy-4-nonadecanone is found in fats and oils. 6-Hydroxy-4-nonadecanone is a constituent of the pollen of Helianthus annuus (sunflower) Constituent of the pollen of Helianthus annuus (sunflower). 6-Hydroxy-4-nonadecanone is found in fats and oils.
all-trans-3,4-Didehydroretinoate
This compound belongs to the family of Retinoids. These are compounds that is related to vitamin A, especially retinol. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
17-Dihydroexemestane
Norethynodrel
Microstegiol
Microstegiol is a natural product found in Salvia lanigera, Salvia microstegia, and other organisms with data available.
[1R-(1alpha,4abeta,7beta,8alpha,8aalpha)]-Decahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-1,8-naphthalenediol 1-acetate
16-Descarbomethoxy-dihydrovobasin|2,7,19,20-tetrahydro-17-nor-vobasan-3-one
(4bS-trans)-4b,5,6,7,8,8a-Hexahydro-4b,8,8-trimethyl-2-(1-methylethyl)-3,9-phenanthrendion|taxodione
9-hydroxy-cis-11-octadecanoic acid|9-hydroxy-cis-11-octadecenoic acid
17alpha-pregna-4,20-dien-3-one|pregn-4,20-diene-3-one|pregna-4,20(21)-dien-3-one|pregna-4,20-dien-3-one|pregna-4,20-diene-3-one|Pregnadien-(4.20)-on-(3)|pregnadien-(4.20)-one-(3)
(-)-acaranoic acid|(-)-Acaranosaeure|Acaranoic acid
(9Xi)-10,11-Dihydro-1,8-seco-cinchonan-9-ol|dihydrocinchonicinol/dihydrocinchonidicinol mixture
abieta-5,8,11,13-tetraene-18-oic acid|centdaroic acid
Podocarpa-1,8,11,13-tetraen-3-one, 12-hydroxy-13-isopropyl-
5alpha-Pregna-1,20-dien-3-on|5alpha-pregna-1,20-dien-3-one|Pregna-1,20-dien-2-one|pregna-1,20-dien-3-one
2-(1,2,3,4,6,7,12,12b-Octahydroindolo[2,3-a]quinolizin-2-yl)-1-butanol #
18-norabieta-3,8,11,13-tetraene-3-oic acid|triptobenzene D
(13(15))-10-Oxo-4,10-seco-2,4,13(15),17-spatatetraen-12-al|(13Z)-10-oxo-4,10-secospata-2,4,13(15),17-tetraen-12-al
8,11,13-cleistanthatrien-3,7-dione|8,11,13-Cleistanthatriene-3,7-dione
2,3-dihydroxypropyl 9-[(1R)-cyclopent-2-en-1-yl]nonanoate|anthelminthicin B
4-Hydroxy-5-ethyl-5-(2-hydroxy-2-ethyl-4-methyl-5-propylcyclopentyl)-4,5-dihydrofuran-2(3H)-one
(+)-(4S)-2-[(S)-1-hydroxydodecyl]-4-hydroxy-4-methylbutenolide
(+)-rubrenolide|(5R,3S,2R)-5-(dec-9-enyl)-3-(2,3-dihydroxypropyl)dihydrofuran-2(3H)-one|Rubrenolide
1beta,4beta-dihydroxy-6beta-acetoxy-eudesmane|1beta,4beta-dihydroxy-6beta-acetoxyeudesmane|6beta-acetoxy-1beta,4beta-dihydroxyeudesmane|6beta-acetoxy-1beta,4beta-hydroxyeudesmane
methyl (3R*,6S*,Z)-4,6-diethyl-3,6-epidioxydodeca-4-enoate
pristanic acid
A branched, long-chain saturated fatty acid composed of pentadecanoic acid having methyl substituents at the 2-, 6-, 10- and 14-positions.
Methyl stearate
Methyl stearate, isolated from Rheum palmatum L. is a compopent of of soybean and rapeseed biodiesels[1]. Methyl stearate, isolated from Rheum palmatum L. is a compopent of of soybean and rapeseed biodiesels[1].
ricinelaidic acid
A straight-chain, 18:1, long-chain fatty acid having a trans- double bond at position 9 and an R-oriented hydroxy group at position 12.
2-Hydroxyoleic acid
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor
rosaprostol
D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D019141 - Respiratory System Agents > D005100 - Expectorants C78568 - Prostaglandin Analogue
Anthracene,1,2,3,4,5,6,7,8-octahydro-1,1,4,4,5,5,8,8-octamethyl-
Ricinoleic acid
A hydroxy fatty acid that is (9E)-octadec-9-enoic (elaidic) acid carrying a hydroxy substituent at position 12.
1-BOC-3-[(4-METHYL-PIPERAZIN-1-YLETHYL)-AMINO]-AZETIDINE
tert-Butyl 4-(3-(hydroxymethyl)piperidin-1-yl)piperidine-1-carboxylate
(2S)-N-[2-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]acetyl]pyrrolidine-2-carboxamide
formaldehyde,hexane-1,6-diamine,4-methylphenol,oxirane
Methyl palmoxirate
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent D007004 - Hypoglycemic Agents
ethyl [[[(cyclohexylamino)carbonyl]imino](dimethylamino)methyl]methylcarbamate
4-Methyl-2-pentanone, O, O′-(methyl vinyl silylene) dioxime
(8E,10S)-10-Hydroxy-8-octadecenoic acid
A HOME in which the hydroxy group is located at position 10 with the double bond at position 8 (the 8E,10S-isomer).
Epoxyoleic acid
cis-9,10-Epoxystearic acid (cis-9,10-Epoxyoctadecanoic acid) is an endogenous constituent in human blood and urine. cis-9,10-Epoxystearic acid (cis-9,10-Epoxyoctadecanoic acid) can be produced from oleic acid by enzymic and non-enzymic epoxidation[1].
9-Octadecenoic acid, 12-hydroxy-, calcium salt, (9Z,12R)-
secoaggregatalactone A
An enoate ester obtained by the formal condensation (2E)-2-[(1S)-1-hydroxy-2-oxopropyl]tridec-2-enoic acid with methanol. Isolated from Lindera aggregata, it exhibits apoptotic activity against human hepatoma hep G2 cells.
3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
ISOPROPYL PALMITATE
A fatty acid ester obtained by the formal condensation of carboxy group of palmitic acid with propan-2-ol. Metabolite observed in cancer metabolism.
AI3-07960
Methyl stearate, isolated from Rheum palmatum L. is a compopent of of soybean and rapeseed biodiesels[1]. Methyl stearate, isolated from Rheum palmatum L. is a compopent of of soybean and rapeseed biodiesels[1].
AI3-36442
Nonadecanoic acid is a 19-carbon long saturated fatty acid. Nonadecanoic acid is the major constituent of the substance secreted by Rhinotermes marginalis to defence[1]. Nonadecanoic acid is a 19-carbon long saturated fatty acid. Nonadecanoic acid is the major constituent of the substance secreted by Rhinotermes marginalis to defence[1].
12-Methyloctadecanoic acid
A methyl-branched fatty acid that is octadecanoic (stearic) acid bearing a methyl substituent at position 12.
cis-9,10-Epoxyoctadecanoic acid
A 9,10-epoxyoctadecanoic acid which has cis configuration.
[3-carboxy-2-[(4E,6E)-nona-4,6-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,5E)-nona-2,5-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,7E)-nona-5,7-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,6E)-nona-3,6-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,7E)-nona-4,7-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,5E)-nona-3,5-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,7E)-nona-3,7-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,7E)-nona-2,7-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,6E)-nona-2,6-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,4E)-nona-2,4-dienoyl]oxypropyl]-trimethylazanium
[(3E,5E)-2-(carboxymethyl)-2-hydroxydodeca-3,5-dienyl]-trimethylazanium
(2E)-18-hydroxyoctadec-2-enoic acid
An omega-hydroxy fatty acid that is trans-octadec-2-enoic acid in which one of the hydrogens of the terminal methyl group has been replaced by a hydroxy group.
sphinga-4E,14Z-dienine(1+)
A cationic sphingoid obtained by the protonation of the amino group of sphinga-4E,14Z-dienine; major species at pH 7.3.
1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2-(1H)pyridinone 2-aminoethanol salt
(2E,17R)-17-hydroxyoctadec-2-enoic acid
An (omega-1)-hydroxy fatty acid that is (2E)-octadec-2-enoic acid in which the 17-pro-R hydrogen is replaced by a hydroxy group.
(2R,6S,10S)-2,6,10,14-tetramethylpentadecanoic acid
(2R,3R)-2-ethyl-3-hydroxy-4-[2-[(5S)-5-methyl-4-oxoheptan-2-yl]cyclopropyl]butanoic acid
[(1S,9S,10S,11R,12S,17S)-12-ethyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-10-yl]methanol
Ricinoleic_acid
Ricinoleic acid is a (9Z)-12-hydroxyoctadec-9-enoic acid in which the 12-hydroxy group has R-configuration.. It is a conjugate acid of a ricinoleate. Ricinoleic acid is a natural product found in Cephalocroton cordofanus, Crotalaria retusa, and other organisms with data available. See also: Polyglyceryl-6 polyricinoleate (monomer of); Polyglyceryl-4 polyricinoleate (monomer of); Polyglyceryl-5 polyricinoleate (monomer of) ... View More ... A (9Z)-12-hydroxyoctadec-9-enoic acid in which the 12-hydroxy group has R-configuration..
(2Z)-1-[(2S,3R)-[2,3-bipiperidin]-1-yl]-3-phenylprop-2-en-1-one
Tuberculostearic acid
A methyl-branched fatty acid, the structure of which is that of stearic acid carrying a methyl group at C-10.
(9Z)-12-Hydroxyoctadec-9-enoic acid
A hydroxy fatty acid that is (9Z)-octadec-9-enoic (oleic) acid carrying a hydroxy substituent at position 12.
16-methyloctadecanoic acid
A methyl-branched fatty acid that is octadecanoic acid substituted by a methyl group at position 16.
3-Oxostearic acid
A compound formally derived by from stearic acid by carbonylating C-13.
(9S,10R)-epoxyoctadecanoic acid
A 9,10-epoxyoctadecanoic acid in which the chiral centres at positions 9 and 10 have S- and R-configuration respectively.
(9R,10S)-9,10-epoxyoctadecanoic acid
A 9,10-epoxyoctadecanoic acid in which the chiral centres at positions 9 and 10 have R- and S-configuration respectively.
(12Z)-10-hydroxyoctadec-12-enoic acid
An octadecenoic acid that is (12Z)-octadec-12-enoic acid substituted by a hydroxy group at position 10. It is a metabolite of linoleic acid produced by the gut lactic acid bacterium Lactobacillus plantarum.
sphinga-4E,8E-dienine(1+)
A cationic sphingoid obtained by protonation of the amino group of sphinga-4E,8E-dienine.
9,10-epoxyoctadecanoic acid
An epoxy fatty acid consisting of octadecanoic (stearic) acid with a single epoxide located between positions 9 and 10.
(2R,6S,10S)-2,6,10,14-pristanic acid
The (2R,6S,10S)-diastereomer of pristanic acid.
7-isopropyl-6-methoxy-1,1,4a-trimethyl-2,3,4,10a-tetrahydrophenanthrene
2-[(1r,9r,12r,19r)-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6-trien-12-yl]ethanol
(9s)-6-(hydroxymethyl)-9-(2-hydroxypropan-2-yl)-2-methylidenecyclodecyl acetate
(6s,8as,12ar,12br)-6,9,9,12b-tetramethyl-5,6,7,8,8a,10,11,12-octahydro-oxatetraphene
(5s,6e,8r,9r,13s,14r)-5,8-dihydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradec-6-en-2-one
(1s,4s)-3-undecylcyclohexa-2,5-diene-1,2,4,5-tetrol
2-{3-ethyl-1h,2h,3h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizin-2-yl}ethanol
6,9,9,12b-tetramethyl-5,6,7,8,8a,10,11,12-octahydro-oxatetraphene
(4r,15s)-15-ethyl-1,11-diazatetracyclo[13.3.1.0⁴,¹².0⁵,¹⁰]nonadeca-5,7,9,11-tetraen-4-ol
(1r,3as,3bs,9ar,9bs,11ar)-1-ethenyl-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
6-dehydrohinokiol
{"Ingredient_id": "HBIN012303","Ingredient_name": "6-dehydrohinokiol","Alias": "NA","Ingredient_formula": "C21H30O","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4928","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9-d-hydroxy-cis-12-octadecenoic acid
{"Ingredient_id": "HBIN014085","Ingredient_name": "9-d-hydroxy-cis-12-octadecenoic acid","Alias": "9-d-hydroxy-cis-12-octadecenoicacid","Ingredient_formula": "C18H34O3","Ingredient_Smile": "CCCCCC=CCCC(CCCCCCCC(=O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31242;10546","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
