Exact Mass: 296.2351322
Exact Mass Matches: 296.2351322
Found 500 metabolites which its exact mass value is equals to given mass value 296.2351322,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
DUB OM HTO
Oleic acid methyl ester is a clear to amber liquid. Insoluble in water. (NTP, 1992) Methyl oleate is a fatty acid methyl ester resulting from the formal condensation of the carboxy group of oleic acid with methanol. It is functionally related to an oleic acid. Methyl oleate is a natural product found in Anchietea pyrifolia, Lepidium meyenii, and other organisms with data available. Methyl oleate is a fatty acid methyl ester (FAME). Methyl oleate substantially improves the antioxidation ability but markedly impaired the antiwear capacity of zinc dialkyldithiophosphate (ZDDP)[1]. Methyl oleate is a fatty acid methyl ester (FAME). Methyl oleate substantially improves the antioxidation ability but markedly impaired the antiwear capacity of zinc dialkyldithiophosphate (ZDDP)[1].
3-HODE + 9-HODE
13-Hydroxyoctadecadienoic acid (13-HODE) (CAS: 18104-45-5), also known as 13(S)-hydroxy-9Z,11E-octadecadienoic acid or 13(S)-HODE, is the major lipoxygenation product synthesized in the body from linoleic acid. 13-HODE prevents cell adhesion to endothelial cells and can inhibit cancer metastasis. 13-HODE synthesis is enhanced by cyclic AMP. gamma-Linolenic acid, a desaturated metabolite of linoleic acid, causes substantial stimulation of 13-HODE synthesis. A fall in gamma-linolenic acid synthesis with age may be related to the age-related fall in 13-HODE formation (PMID: 9561154). 13-HODE is considered an intermediate in linoleic acid metabolism. It is generated from 13(S)-HPODE via the enzyme lipoxygenase (EC 1.13.11.12). 13-HODE has been shown to be involved in cell proliferation and differentiation in a number of systems. 13-HODE is found to be produced by prostate tumours and cell lines and researchers believe that there is a link between linoleic acid metabolism and the development or progression of prostate cancer (PMID: 9367845).
9,10-Epoxyoctadecenoic acid
9,10-Epoxyoctadecenoic acid (9,10-EOA) is a peroxidation product of linoleic acid (LA). 9,10-EOA is a naturally occurring component of oxidized low density lipoprotein (LDL), the level of which increases with aging, atherosclerosis, and rheumatoid arthritis, perhaps due to an increase in 15-lipoxygenase and free oxygen radicals. 9,10-EOA is a proliferator-activated receptors (PPAR) gamma2 ligand, that is antiosteogenic without stimulating adipocyte differentiation. Studies in dogs suggest that 9,10-EOA has toxic cardiovascular effects. (PMID: 12665667, 12021203, 10667371).
alpha-Dimorphecolic acid
alpha-Dimorphecolic acid or 9(S)-HODE is an endogenous fatty acid (PPAR)gamma agonist synthesized in the body from linoleic acid. alpha-Dimorphecolic acid activates peroxisomal proliferator-activated receptor-gamma (PPAR)gamma in human endothelial cells increasing plasminogen activator inhibitor type-1 expression. Plasminogen activator inhibitor type-1 (PAI-1) is a major physiological inhibitor of fibrinolysis, with its plasma levels correlating with the risk for myocardial infarction and venous thrombosis. The regulation of PAI-1 transcription by endothelial cells (ECs), a major source of PAI-1, remains incompletely understood. Adipocytes also produce PAI-1, suggesting possible common regulatory pathways between adipocytes and ECs. Peroxisomal proliferator-activated receptor-gamma (PPAR)gamma is a ligand-activated transcription factor that regulates gene expression in response to various mediators such as 15-deoxy-delta12, 14-prostaglandin J2 (15d-PGJ2) and oxidized linoleic acid (9- and 13-HODE). alpha-Dimorphecolic acid is a ligand of the G protein-coupled receptor G2A (PMID: 10073956, 16647253, 16236715). alpha-Dimorphecolic acid inhibits the proliferation of NHEK cells by suppressing DNA synthesis and arresting the cell cycle in the G0/1-phase. alpha-Dimorphecolic acid-G2A signalling plays proinflammatory roles in the skin under oxidative conditions (PMID: 18034171). Present in plant and animal lipids as autoxidn. or lipoxygenase oxidn. production of linoleic acid.
10-Deoxymethynolide
A macrolide that consists of oxacyclododec-9-ene-2,8-dione bearing four methyl substituents at positions 3, 5, 7 and 11 as well as a hydroxy group at position 4 and an ethyl substituent at position 12. The aglycone of the macrolide antibiotic 10-deoxymethymycin.
FA 19:1
An 11,12-methyleneoctadecanoic acid having (11R,12S)-configuration.
12,13-EpOME
12,13-EpOME is the 12,13-cis epoxide of linoleic acid, generated by neutrophils during the oxidative burst. The toxicity and biosynthesis of 12,13-EpOME has not been well differentiated from 9,10-EpOME, but has been presumed to be essentially the same.P [HMDB]. Vernolic acid is found in rice. 12,13-EpOME is the 12,13-cis epoxide of linoleic acid, generated by neutrophils during the oxidative burst. The toxicity and biosynthesis of 12,13-EpOME has not been well differentiated from 9,10-EpOME, but has been presumed to be essentially the same.P.
10-nonadecenoate (19:1n9)
10Z-Nonadecenoic acid is a monounsaturated fatty acid that has a C19 chain as a backbone and a cis double bond at the C10 position. It 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. 10Z-Nonadecenoic acid is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 10Z-Nonadecenoic acid can be found in blood and feces. Within the cell, 10Z-nonadecenoic acid is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space. Nonadeca-10(Z)-enoic acid is a fatty acid that has C19 chain as backbone and a cis double bond at the C10 position [HMDB]
Avenoleic acid
Avenoleic acid is found in cereals and cereal products. Avenoleic acid is a constituent of oat seeds (Avena sativa) Constituent of oat seeds (Avena sativa). Avenoleic acid is found in oat and cereals and cereal products.
(Z)-13-Oxo-9-octadecenoic acid
(Z)-13-Oxo-9-octadecenoic acid is found in cereals and cereal products. (Z)-13-Oxo-9-octadecenoic acid is isolated from wheat flour infested with the beetle Oryzaephilus surinamensi Isolated from wheat flour infested with the beetle Oryzaephilus surinamensis. (Z)-13-Oxo-9-octadecenoic acid is found in cereals and cereal products.
12-Hydroxy-8,10-octadecadienoic acid
12-Hydroxy-8,10-octadecadienoic acid is found in fruits. 12-Hydroxy-8,10-octadecadienoic acid is a constituent of the seeds of Elaeagnus angustifolia (Russian olive) Constituent of the seeds of Elaeagnus angustifolia (Russian olive). 12-Hydroxy-8,10-octadecadienoic acid is found in fruits.
(1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol
(1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol is found in herbs and spices. (1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol is a constituent of Laurus nobilis (bay laurel). Constituent of Laurus nobilis (bay laurel). (1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol is found in tea and herbs and spices.
Tanacetol B
Tanacetol B is found in herbs and spices. Tanacetol B is a constituent of Tanacetum vulgare (tansy) Constituent of Tanacetum vulgare (tansy). Tanacetol B is found in herbs and spices.
4,6-Nonadecanedione
4,6-Nonadecanedione is found in fats and oils. 4,6-Nonadecanedione is a constituent of the pollen of Helianthus annuus (sunflower) Constituent of the pollen of Helianthus annuus (sunflower). 4,6-Nonadecanedione is found in fats and oils.
(10E,12Z)-9-HODE
(10E,12Z)-9-HODE, also known as 9-Hydroxy-10E,12Z-octadecadienoic acid or 9-Hydroxylinoleic acid, is classified as a lineolic acid or a Lineolic acid derivative. Lineolic acids 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. (10E,12Z)-9-HODE is considered to be practically insoluble (in water) and acidic. (10E,12Z)-9-HODE is an octadecanoid lipid molecule
Nonadecenoic acid
Nonadecenoic acid, also known as nonadecenoate, 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. Nonadecenoic acid is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Nonadecenoic acid can be found in peanut, which makes nonadecenoic acid a potential biomarker for the consumption of this food product.
[6]-Gingerdiol
AC1NQNFM is a member of the class of compounds known as gingerdiols. Gingerdiols are compounds containing a gingerdiol moiety, which is structurally characterized by a 4-hydroxy-3-methoxyphenyl group substituted at the C6 carbon atom by an alkane-2,4-diol. AC1NQNFM is practically insoluble (in water) and a very weakly acidic compound (based on its pKa).
[3R-(3R*,5S*,6E,9S*)]-3,7,11-trimethyl-1,6,10-dodecatriene-3,5,9-triol 9-acetate
[R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
(+)-Vernolic acid
An optically active form of vernolic acid having (12S,13R)-configuration.
(2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyltetradeca-2,4,8-trienoic acid
pregna-1,4,20-trien-3-one
A natural product found in Carijoa multiflora and Carijoa species.
4-methylidene-5-oxo-2-undecyloxolane-3-carboxylic acid
1beta,4beta-dihydroxy-3beta-acetoxygermacra-5E,10(14)-diene
4-methyl-19-norpregna-1,3,5(10),20-tetraen-1-ol|krempene B|krempenes B
(-)-2-methyl-butyric acid (2Z,6E)-8-acetoxy-2,6-dimethyl-octa-2,6-dienyl ester
dihydro-5-(7 -hydroxy-8-tetradecenyl)-2(3h)-furanone
5-Ac-(2E,5xi,6E,10E)-2,6,10-Trimethyl-2,6,10-dodecatriene-1,5,12-triol|8-acetoxy-12-hydroxyfarnesol
(4E,9Z)-6beta-acetoxy-7alphaH-germacra-4,9-diene-1alpha,2beta-diol
4beta,5alpha-epoxygermacr-1(10)E-en-2beta,6beta-diol 2-acetate
(6E,9E)5-acetoxy-11-hydroxy-9-en-10,11-dihydronerolidol|8-Ac-(6E,8S*,9E,10R*)-2,6,10-Trimethyl-3,6,11-dodecatriene-2,8,10-triol
1-Ac-(2E,5xi,6E,10E)-2,6,10-Trimethyl-2,6,10-dodecatriene-1,5,12-triol|12-acetoxy-8-hydroxyfarnesol
8-Ac -(1(10)E,4alpha,5alpha,6beta,8beta)-4,5-Epoxy-1(10)-germacrene-6,8-diol
(ent-13??)-4,13-Dihydroxy-15,16-dinor-4,5-seco-5-rosanone|ent-4,13xi-dihydroxy-15,16-bisnorpictan-5-one
12-Ac-(2E,5xi,6E,10E)-2,6,10-Trimethyl-2,6,10-dodecatriene-1,5,12-triol|8,12-dihydroxyfarnesyl acetate
(6S,7S,9Z)-9,18-Nonadecadiene-6,7-diol,9CI|(6S,7S,9Z)-nonadeca-9,18-diene-6,7-diol
3(xi)-hydroxy-octadeca-4(E),6(Z)-dienoic acid|3(zeta)-hydroxy-octadeca-4(E),6(Z)-dienoic acid|3-hydroxy-octadeca-4(E),6(Z)-dienoic acid
1beta,5alpha-dihydroxy-6beta-acetoxyeudesm-4(15)-ene
(3S,6S)-3-acetoxy-2,2,6-trimethyl-6-([1S,4R]-4-hydroxy-4-methylcyclohex-2-en-1-yl)tetrahydropyran
(1SR,3aRS,8RS,11aSR,11bRS)-3a-amino-8-[(1R)-1-hydroxypropyl]-1-methyldecahydrofuro[3,2-c]pyrido[1,2-a]azepin-2(1H)-one|stemocochinamine
C16H28N2O3 (296.20998180000004)
2-[rel-(1R,2R,3S,4S)-4-ethenyl-2-hydroxy-4-methyl-3-(prop-1-en-2-yl)cyclohexyl]-1-hydroxypropan-2-yl acetate|kachirachirain
(1S,4aR,5R,8aS)-5-[(1R)-5-hydroxy-1,5-dimethylhexyl]-4a-methyldecahydronaphthalen-1-ol
(7E)-9-ketooctadec-7-enoic acid|7(E)-9-keto-octadec-7-enoic acid
10-acetoxy-3,7,11-trimethyldodeca-1,5,11-triene-3,7-diol
1beta-acetoxyl-4(15)-eudesmen-5alpha,11-diol|chrysanthemumol I
rel-(S,E)-2-[(S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethylundeca-5,9-dien-2-ol
5-(3-Methoxycarbonylbutyroyl)aminomethyl-cis-quinolizidine
C16H28N2O3 (296.20998180000004)
19-Norpregna-1,3,5(10),20-tetraen-3-yl Methyl Ether|3-methoxy-19-norpregna-1,3,5(10),20-tetraene
(1S,5S,6S,9R,11S)-5,14-dimethoxy-12-hydroxycaryophyll-2(15)-en-7-one
methyl 3,6-epoxy-4R,8R-diethyl-6S-methyl-2Z-dodecenoate
(E)-6beta-acetoxy-7-alphaH-germacra-4,10(14)-diene-1alpha,2beta-diol
6beta-acetoxy-5betaH,7alphaH,10betaMe-eudesm-4(15)-ene-1alpha,2beta-diol
FA 18:2;O
2-hydroxylinoleic acid is a 2-hydroxy fatty acid derived from linoleic acid. It has a role as an Arabidopsis thaliana metabolite, an antineoplastic agent, a PPARalpha agonist and a PPARgamma agonist. It is a 2-hydroxy fatty acid, a long-chain fatty acid and a HODE. It is functionally related to a linoleic acid. alpha-Hydroxylinoleic acid is under investigation in clinical trial NCT04431258 (ABTL0812 in Combination With FOLFIRINOX for First-line Treatment of Metastatic Pancreatic Study). mTORC1/mTORC2/DHFR Inhibitor ABTL0812 is an orally bioavailable, lipid analogue and inhibitor of raptor-mammalian target of rapamycin (mTOR) (mTOR complex 1; mTORC1), rictor-mTOR (mTOR complex 2; mTORC2) and dihydrofolate reductase (DHFR) with potential antineoplastic activity. Upon oral administration, mTORC1/mTORC2/DHFR inhibitor ABTL0812 binds to and inhibits both mTORC1 and mTORC2, which may result in apoptosis and a decrease in proliferation in mTORC1/2-expressing tumor cells. mTOR is a serine/threonine kinase that is upregulated in some tumors; it plays an important role in the PI3K/Akt/mTOR signaling pathway which is often deregulated in cancer cells. In addition, ABTL0812 inhibits DHFR, an enzyme that reduces dihydrofolic acid to tetrahydrofolic acid, thereby blocking tetrahydrofolate synthesis, and resulting in both the depletion of nucleotide precursors and the inhibition of DNA, RNA and protein synthesis. This induces autophagy-induced cell death and further inhibition of cell proliferation. A 2-hydroxy fatty acid derived from linoleic acid. C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
13-HODE
A HODE that consists of 9Z,11E-octadecadienoic acid carrying a 13-hydroxy substituent.
(10E,12E)-9-hydroxyoctadeca-10,12-dienoic acid
13-HODE-[d4]
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0095.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0095.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0095.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001277.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001277.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001277.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001277.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001277.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001277.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
12(13)-EpOME-[d4]
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0082.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0082.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0082.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001303.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001303.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001303.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001303.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001303.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001303.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
9-HODE
A HODE that consists of (10E,12Z)-octadecadienoic acid with the hydroxy substituent located at position 9. CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0132.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0132.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] NATIVE_RUN_ID STD_neg_MSMS_1min0132.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ]; CONFIDENCE standard compound CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0132.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001339.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001339.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001339.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001339.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001339.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001339.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
9(10)-EpOME-[d4]
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0124.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0124.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0124.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001355.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001355.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001355.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001355.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001355.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001355.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
(2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyltetradeca-2,4,8-trienoic acid_major
9(R)-HODE
A 9-HODE in which the 9-hydroxy group has R-stereochemistry.
13(R)-HODE
A 13-HODE in which the stereocentre at position 13 has S-configuration.
L-Tryptophan,N-[N-(1-oxodecyl)-L-alanyl]-methyl ester
Vernolic acid
A monounsaturated epoxy fatty acid composed of cis-9-octadecenoic acid having a 12,13-epoxy group.
2-Propanol, 1-2-2-(2-aminoethyl)aminoethylaminoethylamino-3-phenoxy-
formaldehyde,4-(2-methylbutan-2-yl)phenol,2-methyloxirane,oxirane
(R)-2-[3-(3-METHOXYPROPOXY)-4-METHOXYBENZYL]-3-METHYLBUTAN-1-OL
1,8-diazabicyclo[5.4.0]undec-7-ene, compound with 2-ethylhexanoic acid (1:1)
4-tert-Octylphenyl-3,5-D2 Diethoxylate Solution, 1ug/ml in Acetone
N-methyl-6-(4-methylpiperazin-1-yl)-4-(o-tolyl)pyridin-3-amine
(1R,2R)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl cyclopropanecarboxylate
tert-butyl 3-(piperidine-1-carbonyl)piperidine-1-carboxylate
C16H28N2O3 (296.20998180000004)
(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
2,8-Diazaspiro[4.5]decane-2-carboxylic acid, 8-acetyl-, 1,1-dimethylethyl ester
C16H28N2O3 (296.20998180000004)
2,8-Diazaspiro[4.5]decane-8-carboxylic acid, 2-(1-methylethyl)-, 1,1-dimethylethyl ester
13S-hydroxyoctadecadienoic acid
13-hydroxyoctadecadienoic acid (13-HODE) is synthesized in the body from linoleic acid. 13-HODE prevents cell adhesion to endothelial cells and can inhibit cancer metastasis. 13-HODE synthesis is enhanced by cyclic AMP. Gamma-linolenic acid, a desaturated metabolite of linoleic acid, causes substantial stimulation of 13-HODE synthesis. A fall in gamma-linolenic acid synthesis with age may be related to the age-related fall in 13-HODE formation. (PMID 9561154) 13-HODE is considered an intermediate in Linoleic acid metabolism(KEGG ID C14762). It is generated from 13(S)-HPODE via the enzyme lipoxygenase [EC:1.13.11.12]. [HMDB]
3-Oxo-N-[(3S)-2-oxopyrrolidin-3-YL]dodecanamide
C16H28N2O3 (296.20998180000004)
n-[4-(Dimethylamino)naphthalen-1-yl]cyclohexanecarboximidamide
(1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol
5-Formyl-6-hydroxy-1,1,4a,6-tetramethyl-decahydronaphthalen-2-yl acetate
(10S,12Z,15Z)-10-hydroxyoctadeca-12,15-dienoic acid
(5S,6R,7S)-6-(Tert-butyldimethylsilyloxy)-5,7-dimethylnon-3-YN-2-one
8-Methoxy-2-methyl-6-methylene-7-[(trimethylsilyl)methyl]-2-undecene
isoleukotoxin
An optically active form of vernolic acid having (12R,13S)-configuration. D004791 - Enzyme Inhibitors
Laetisaric acid
A C18, straight-chain, hydroxy fatty acid composed of linoleic acid having an (R)-hydroxy group at the 8-position.
13(S)-HODE
An HODE (hydroxyoctadecadienoic acid) in which the double bonds are at positions 9 and 11 (E and Z geometry, respectively) and the hydroxy group is at position 13 (with S-configuration).
9(S)-HODE
A 9-HODE in which the 9-hydroxy group has S-stereochemistry.
18-Hydroxylinoleic acid
An omega-hydroxy fatty acid that is linoleic acid in which one of the terminal methyl hydrogens has been replaced by a hydroxy group.
(S)-9-Hydroxy-10-trans,12-trans-octadecadienoic acid
(9R,10S)-9(10)-EpOME
A 9(10)-EpOME in which the epoxide has 9R,10S stereochemistry.
9(10)-EpOME
An EpOME obtained by formal epoxidation of the 9,10-double bond of octadeca-9,12-dienoic acid (the 12Z-geoisomer).
10,12-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-yl acetate
8-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyl-9-methylidenecyclodec-2-en-1-yl acetate
13,14-dihydroxy-6,10,14-trimethylpentadeca-5,9-dien-2-one
(4r,6s)-6-decyl-3-methylidene-2-oxooxane-4-carboxylic acid
(1r,2s,3ar,4r,7s,7ar)-1-acetyl-4-hydroxy-7-isopropyl-4-methyl-octahydroinden-2-yl acetate
8-[(1s,2r)-3-oxo-2-pentylcyclopentyl]octanoic acid
5,6-dihydroxy-2-isopropyl-4a-methyl-8-methylidene-octahydronaphthalen-1-yl acetate
methyl 2-[5-(dec-9-en-1-yl)-2-oxooxolan-3-yl]acetate
(5e,9e,13r)-13,14-dihydroxy-6,10,14-trimethylpentadeca-5,9-dien-2-one
(1r,2s,4r,7r,8s,10r,11r)-2,11-dihydroxy-4,6,6,10-tetramethyltricyclo[5.3.1.0⁴,¹¹]undecan-8-yl acetate
[(1z,6r,7r,8s)-6,7-dihydroxy-8-isopropyl-5-methylidenecyclodec-1-en-1-yl]methyl acetate
(5s)-5-[(7s,8e)-7-hydroxytetradec-8-en-1-yl]oxolan-2-one
7,8-dihydroxy-6-isopropyl-3-methyl-9-methylidenecyclodec-2-en-1-yl acetate
(1r,2e,5r,6r,7z,10s)-5,6-dihydroxy-10-isopropyl-3,7-dimethylcyclodeca-2,7-dien-1-yl acetate
6-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-2,2,6-trimethyloxan-3-yl acetate
(2e,6e,10s)-8,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trien-1-yl acetate
(1s,3r,4e,8s,9r,10r)-9-hydroxy-8-isopropyl-1,5-dimethyl-11-oxabicyclo[8.1.0]undec-4-en-3-yl acetate
(±)-12,13-epoxyoleicacid
{"Ingredient_id": "HBIN000537","Ingredient_name": "(±)-12,13-epoxyoleicacid","Alias": "NA","Ingredient_formula": "C18H32O3","Ingredient_Smile": "CCCCCC1C(O1)CC=CCCCCCCCC(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7179","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,6,10-farnesatriene-1,5,12-triol; (2e,5ξ,6e,10e)-form,5-ac
{"Ingredient_id": "HBIN004824","Ingredient_name": "2,6,10-farnesatriene-1,5,12-triol; (2e,5\u03be,6e,10e)-form,5-ac","Alias": "NA","Ingredient_formula": "C17H28O4","Ingredient_Smile": "NA","Ingredient_weight": "296.4","OB_score": "NA","CAS_id": "175800-10-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8841","PubChem_id": "NA","DrugBank_id": "NA"}
[6]-gingediol
{"Ingredient_id": "HBIN012357","Ingredient_name": "[6]-gingediol","Alias": "NA","Ingredient_formula": "C17H28O4","Ingredient_Smile": "CCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)O","Ingredient_weight": "296.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15540","TCMID_id": "8382","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101660275","DrugBank_id": "NA"}
6-gingerdiol
{"Ingredient_id": "HBIN012361","Ingredient_name": "6-gingerdiol","Alias": "NA","Ingredient_formula": "C17H28O4","Ingredient_Smile": "CCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)O","Ingredient_weight": "296.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "20969","PubChem_id": "15839040","DrugBank_id": "NA"}
[(1e,6r,7r,8s)-6,7-dihydroxy-8-isopropyl-5-methylidenecyclodec-1-en-1-yl]methyl acetate
9-hydroxy-8-isopropyl-1,5-dimethyl-11-oxabicyclo[8.1.0]undec-4-en-3-yl acetate
3,7-dimethyl-9-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)nona-1,6-dien-3-ol
(4e,8e)-7-methoxy-9-methylhexadeca-4,8-dienoic acid
1,4-dihydroxy-7-isopropyl-1,4a-dimethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl acetate
3-hydroxy-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0²,⁶]dodecan-12-yl acetate
12-ethyl-8-methyl-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6-triene
1-acetyl-4-hydroxy-7-isopropyl-4-methyl-octahydroinden-2-yl acetate
(2e,5s,6e,10e)-1,12-dihydroxy-3,7,11-trimethyldodeca-2,6,10-trien-5-yl acetate
(1s,3s,5s)-5-hydroxy-3-[(3s)-3-hydroxy-3-methylpent-4-en-1-yl]-2,2-dimethyl-4-methylidenecyclohexyl acetate
1-ethenyl-6,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-9-ol
(2e,5r,6e,10e)-5,12-dihydroxy-2,6,10-trimethyldodeca-2,6,10-trien-1-yl acetate
2-hydroxy-2-methyl-6-(2-methyl-6-oxoheptan-3-yl)bicyclo[3.1.0]hexan-3-yl acetate
(2e,6e,8r,10s)-8,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trien-1-yl acetate
(2r,3r,8r,10e,12e)-3-hydroxy-2,8,10,12-tetramethyltetradeca-10,12-dienoic acid
8-hydroxy-2-(5-hydroxy-4-methylpent-3-en-1-yl)-6-methylocta-2,6-dien-1-yl acetate
3,11-dihydroxy-3,7,11-trimethyldodeca-1,6,9-trien-5-yl acetate
(1r,2r,3s,4r,6e,10r)-2-hydroxy-3-isopropyl-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-en-4-yl acetate
(3r,3ar,4s,5s,6s)-3,6-dihydroxy-5-isopropyl-3,8-dimethyl-2,3a,4,5,6,7-hexahydro-1h-azulen-4-yl acetate
(5e)-8-[(1s,3s,6r)-3,6-dihydroxy-2,2,6-trimethylcyclohexyl]-6-methyloct-5-en-2-one
(1r,2s,4r,4ar,8ar)-1,4-dihydroxy-7-isopropyl-1,4a-dimethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-yl acetate
2-(3a,8-dimethyl-3-oxo-octahydroazulen-5-yl)-2-hydroxypropyl acetate
2,9-dihydroxy-5-isopropyl-2-methyl-8-methylidenecyclodec-3-en-1-yl acetate
5-[(octahydro-1h-quinolizin-1-ylmethyl)-c-hydroxycarbonimidoyl]pentanoic acid
C16H28N2O3 (296.20998180000004)
(1ar,2s,4r,7r)-4,7-dihydroxy-1,1,4,7-tetramethyl-octahydrocyclopropa[e]azulen-2-yl acetate
(9z)-11-[(2r,3r)-3-pentyloxiran-2-yl]undec-9-enoic acid
(1r,2e,6s,7r,8r)-7,8-dihydroxy-6-isopropyl-3-methyl-9-methylidenecyclodec-2-en-1-yl acetate
1,12-dihydroxy-2,6,10-trimethyldodeca-2,6,10-trien-5-yl acetate
(1s,2s,3r,13s)-2-octyl-6-oxatetracyclo[9.2.1.0³,¹³.0⁷,¹²]tetradeca-4,7(12),8,10-tetraene
5,6-dihydroxy-10-isopropyl-3,7-dimethylcyclodeca-2,7-dien-1-yl acetate
(2z,6e)-8-(acetyloxy)-2,6-dimethylocta-2,6-dien-1-yl (2r)-2-methylbutanoate
(1r,2r,3ar,4r,7s,7as)-1-acetyl-4-hydroxy-7-isopropyl-4-methyl-octahydroinden-2-yl acetate
2-[(2r,4ar,8r,8ar)-8-methoxy-4a,8-dimethyl-octahydronaphthalen-2-yl]propan-2-yl acetate
8-[(1s,2s)-3-oxo-2-pentylcyclopentyl]octanoic acid
[2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropyl]methyl 2-(acetyloxy)-3-methylbutanoate
(1s,2s,3r,5r,6r,8s,12s)-3-hydroxy-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0²,⁶]dodecan-12-yl acetate
(4s,6e,8s,10r)-8,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-yl acetate
(2s)-2-hydroxy-2-[(1r,2e,4s,7e)-4-hydroxy-4,8-dimethylcyclodeca-2,7-dien-1-yl]propyl acetate
1-ethenyl-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
(6,7-dihydroxy-8-isopropyl-5-methylidenecyclodec-1-en-1-yl)methyl acetate
(2e,6e,8r,10e)-8,12-dihydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate
6,10-dihydroxy-2,6,10-trimethyldodeca-1,7,11-trien-3-yl acetate
(2r,3r,8r,10e,12z)-3-hydroxy-2,8,10,12-tetramethyltetradeca-10,12-dienoic acid
(5s,6e,8s,9e,13s,14r)-5,8-dihydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one
2,6-dihydroxy-1,1,2,6-tetramethyl-octahydrocyclopropa[a]azulen-7-yl acetate
12-hydroxy-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0²,⁶]dodecan-3-yl acetate
(2r)-2-[(1r,2r,3s,4s)-4-ethenyl-2-hydroxy-4-methyl-3-(prop-1-en-2-yl)cyclohexyl]-1-hydroxypropan-2-yl acetate
(6s)-6-[(3r,4z)-3-hydroxytridec-4-en-1-yl]oxan-2-one
(1r,3as,3bs,9bs,11ar)-1-ethenyl-6,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-9-ol
8,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-yl acetate
6-ethenyl-2',5a-dimethyl-1,2,3a,4,5,6,7,8,8a,8b-decahydrospiro[as-indacene-3,1'-cyclohexane]-2',5'-dien-4'-one
(1r,2r,4r,6e,10r)-2-hydroxy-3-isopropyl-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-en-4-yl acetate
2-hydroxy-2-(4-hydroxy-4,8-dimethylcyclodeca-2,7-dien-1-yl)propyl acetate
(5e)-8-[(1s,3s,6s)-3,6-dihydroxy-2,2,6-trimethylcyclohexyl]-6-methyloct-5-en-2-one
(3r,5s,6e,9e)-3,11-dihydroxy-3,7,11-trimethyldodeca-1,6,9-trien-5-yl acetate
8-(acetyloxy)-2,6-dimethylocta-2,6-dien-1-yl 2-methylbutanoate
2,11-dihydroxy-4,6,6,10-tetramethyltricyclo[5.3.1.0⁴,¹¹]undecan-8-yl acetate
(1r,9r,12r,19r)-12-ethyl-8-methyl-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6-triene
(1r,4s,5s,9r,11s)-11-(hydroxymethyl)-5-methoxy-4-(methoxymethyl)-11-methyl-8-methylidenebicyclo[7.2.0]undecan-3-one
(2r)-2-[(3as,5r,8s,8as)-3a,8-dimethyl-3-oxo-octahydroazulen-5-yl]-2-hydroxypropyl acetate
(3r,3as,5ar,6r,8as,8bs)-6-ethenyl-2',5a-dimethyl-1,2,3a,4,5,6,7,8,8a,8b-decahydrospiro[as-indacene-3,1'-cyclohexane]-2',5'-dien-4'-one
methyl 2-[3-ethyl-5-(2-ethylhexyl)-5-methyloxolan-2-ylidene]acetate
5-{[(1s,9as)-octahydro-1h-quinolizin-1-ylmethyl]-c-hydroxycarbonimidoyl}pentanoic acid
C16H28N2O3 (296.20998180000004)