Exact Mass: 310.240886
Exact Mass Matches: 310.240886
Found 429 metabolites which its exact mass value is equals to given mass value 310.240886,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cannabinol
C308 - Immunotherapeutic Agent > C574 - Immunosuppressant
Eicosenoate (20:1)
11Z-Eicosenoic acid, also known as gondoic 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. 11Z-Eicosenoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). More specifically, 11Z-Eicosenoic acid is a monounsaturated omega-9 fatty acid found in a variety of nuts and plant oils. It is not produced by humans and comes from the diet. It has been found in the red blood cell membrane with increased concentrations in children with regressive autism (PMID: 16581239 ). (11Z)-icos-11-enoic acid is an icosenoic acid having a cis- double bond at position 11. It has a role as a plant metabolite and a human metabolite. It is a conjugate acid of a gondoate. cis-11-Eicosenoic acid is a natural product found in Delphinium fissum, Calophyllum inophyllum, and other organisms with data available. Gondoic Acid is a monounsaturated long-chain fatty acid with a 20-carbon backbone and the sole double bond originating from the 9th position from the methyl end, with the bond in the cis- configuration. See also: Cod Liver Oil (part of). Constituent of rape oil and fish oils as glycerideand is also in other plant oils, e.g. false flax (Camelina sativa), and swede (Brassica napobrassica) cis-11-Eicosenoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=5561-99-9 (retrieved 2024-07-15) (CAS RN: 5561-99-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Gondoic acid (cis-11-Eicosenoic acid), a monounsaturated long-chain fatty acid, is contained in a variety of plant oils and nuts[1]. Gondoic acid (cis-11-Eicosenoic acid), a monounsaturated long-chain fatty acid, is contained in a variety of plant oils and nuts[1].
Mestranol
Mestranol is only found in individuals that have used or taken this drug. It is the 3-methyl ether of ethinyl estradiol. It must be demethylated to be biologically active. It is used as the estrogen component of many combination ORAL contraceptives. [PubChem]Mestranol is the 3-methyl ether of ethinylestradiol. Ethinylestradiol, is a synthetic derivative of estradiol. Ethinylestradiol is orally bio-active and the estrogen used in almost all modern formulations of combined oral contraceptive pills. It binds to (and activates) the estrogen receptor. Mestranol is a biologically inactive prodrug of ethinylestradiol to which it is demethylated in the liver with a conversion efficiency of 70\\%.Estrogens diffuse into their target cells and interact with a protein receptor. Target cells include the female reproductive tract, the mammary gland, the hypothalamus, and the pituitary. Estrogens increase the hepatic synthesis of sex hormone binding globulin (SHBG), thyroid-binding globulin (TBG), and other serum proteins and suppress follicle-stimulating hormone (FSH) from the anterior pituitary. The combination of an estrogen with a progestin suppresses the hypothalamic-pituitary system, decreasing the secretion of gonadotropin-releasing hormone (GnRH). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
13(S)-Hydroperoxylinolenic acid
13(s)-hydroperoxylinolenic acid, also known as 13(S)-hpotre or 13-hpot, 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, 13(s)-hydroperoxylinolenic acid is considered to be an octadecanoid lipid molecule. 13(s)-hydroperoxylinolenic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 13(s)-hydroperoxylinolenic acid can be found in a number of food items such as grass pea, garden tomato (variety), american butterfish, and black crowberry, which makes 13(s)-hydroperoxylinolenic acid a potential biomarker for the consumption of these food products. . D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
9S-HpOTrE
D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
Prostanoic acid
A carbocyclic fatty acid composed of heptanoic acid having a (1S,2S)-2-octylcyclopentyl substituent at position 7.
14-apo-beta-carotenal
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
7S,8S-DiHOTrE
Desogestrel
Desogestrel is only found in individuals that have used or taken this drug. It is a synthetic progestational hormone used often as the progestogenic component of combined oral contraceptive agents. [PubChem]Binds to the progesterone and estrogen receptors. Target cells include the female reproductive tract, the mammary gland, the hypothalamus, and the pituitary. Once bound to the receptor, progestins like desogestrel will slow the frequency of release of gonadotropin releasing hormone (GnRH) from the hypothalamus and blunt the pre-ovulatory LH (luteinizing hormone) surge. G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03A - Hormonal contraceptives for systemic use > G03AC - Progestogens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
ibogaine
An organic heteropentacyclic compound that is ibogamine in which the indole hydrogen para to the indole nitrogen has been replaced by a methoxy group. D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens
Paullinic acid
Paullinic acid is found in fats and oils. Paullinic acid is isolated from herring oil and rapeseed oil and from various Sapindacea Paullinic acid is a long-chain fatty acid that has been detected in multiple biofluids, such as blood and urine.
Menaquinol
This compound belongs to the family of Sesquiterpenes. These are terpenes with three consecutive isoprene units.
Divalproex sodium
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D018692 - Antimanic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D018377 - Neurotransmitter Agents > D018682 - GABA Agents D004791 - Enzyme Inhibitors
(9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
Ethyl oleate
Ethyl oleate is found in sweet marjoram. Ethyl oleate is a flavouring ingredient.Ethyl oleate is the ester formed by the condensation of the fatty acid oleic acid and ethanol. It is a colorless to light yellow liquid. Ethyl oleate is produced by the body during ethanol intoxication Flavouring ingredient Ethyl Oleate is a fatty acid ester formed by the condensation of oleic acid and ethanol. Ethyl oleate is the liquid lipid component in nanostructured lipid carriers (NLCs). NLC is a promising vehicle for oral trans-Ferulic acid (TFA) administration[1]. Ethyl Oleate is a fatty acid ester formed by the condensation of oleic acid and ethanol. Ethyl oleate is the liquid lipid component in nanostructured lipid carriers (NLCs). NLC is a promising vehicle for oral trans-Ferulic acid (TFA) administration[1].
Gestodene
Gestodene is only found in individuals that have used or taken this drug.Gestodene is a progestogen hormonal contraceptive. Products containing gestoden include Meliane, which contains 20 mcg of ethinylestradiol and 75 mcg of gestodene; and Gynera, which contains 30 mcg of ethinylestradiol and 75 mcg of gestodene. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
Sterebin A
Sterebin A is isolated from leaves of Stevia rebaudiana (stevia). Isolated from leaves of Stevia rebaudiana (stevia)
12(13)Ep-9-KODE
trans-12,13-epoxy-11-oxo-trans-9-octadecenoic acid is a novel product from 13-L (S)-hydroperoxy-cis-9,trans-11-octadecadienoic acid under degradation of linoleic acid hydroperoxides by a cysteine . FeCl3 catalyst as a model for similar biochemical reactions. III. [HMDB] trans-12,13-epoxy-11-oxo-trans-9-octadecenoic acid is formed from 13-L (S)-hydroperoxy-cis-9,trans-11-octadecadienoic acid by a cysteine • FeCl3 redox couple in the presence of O2 (PMID: 7284410).
9Z-Eicosenoic acid
Cis-gadoleic acid, also known as (Z)-eicos-9-enoic acid or 9c-eicosensaeure, 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, cis-gadoleic acid is considered to be a fatty acid lipid molecule. Cis-gadoleic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Cis-gadoleic acid can be found in a number of food items such as breakfast cereal, allium (onion), carrot, and sugar substitute, which makes cis-gadoleic acid a potential biomarker for the consumption of these food products. Cis-gadoleic acid can be found primarily in blood and feces. 9Z-Eicosenoic acid, also known as gadoleic 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. 9Z-Eicosenoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 9Z-Eicosenoic acid can be found in a number of food items such as lemon, sugar, garlic, and mung bean, which makes 9Z-eicosenoic acid a potential biomarker for the consumption of these food products. 9Z-Eicosenoic acid can be found in feces, blood, and urine. Gondoic acid (cis-11-Eicosenoic acid), a monounsaturated long-chain fatty acid, is contained in a variety of plant oils and nuts[1]. Gondoic acid (cis-11-Eicosenoic acid), a monounsaturated long-chain fatty acid, is contained in a variety of plant oils and nuts[1].
(R)-2-Hydroxysterculic acid
(R)-2-Hydroxysterculic acid is found in nuts. (R)-2-Hydroxysterculic acid is a constituent of seed oils of Pachira aquatica (Malabar chestnut) Constituent of seed oils of Pachira aquatica (Malabar chestnut). (R)-2-Hydroxysterculic acid is found in nuts.
Oleyl acetate
Oleyl acetate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]"). It is used as a food additive
(9Z,11R,12S,13S,15Z)-12,13-Epoxy-11-hydroxy-9,15-octadecadienoic acid
Isolated from leaves of rice plants with rice blast disease (Pyricularia oryzae). (9Z,11R,12S,13S,15Z)-12,13-Epoxy-11-hydroxy-9,15-octadecadienoic acid is found in cereals and cereal products. (9Z,11S,12S,13S,12Z)-12,13-Epoxy-11-hydroxy-9,15-octadecadienoic acid is isolated from leaves of rice plants with rice blast disease (Pyricularia oryzae).
Auxin b
Claimed isoln. from peanut and corn oils. Auxin b is found in cereals and cereal products and nuts. Auxin b is found in cereals and cereal products. Claimed isolation from peanut and corn oils.
6,8-Icosanedione
6,8-Icosanedione is found in fats and oils. 6,8-Icosanedione is a constituent of the pollen of Helianthus annuus (sunflower) Constituent of the pollen of Helianthus annuus (sunflower). 6,8-Icosanedione is found in fats and oils.
5,7-Icosanedione
5,7-Icosanedione is found in fats and oils. 5,7-Icosanedione is a constituent of the pollen of Helianthus annuus (sunflower) Constituent of the pollen of Helianthus annuus (sunflower). 5,7-Icosanedione is found in fats and oils.
4,6-Icosanedione
4,6-Icosanedione is found in fats and oils. 4,6-Icosanedione is a constituent of the pollen of Helianthus annuus (sunflower) Constituent of the pollen of Helianthus annuus (sunflower). 4,6-Icosanedione is found in fats and oils.
20-Dihydrodydrogesterone
20-Dihydrodydrogesterone is a metabolite of dydrogesterone. Dydrogesterone is a progestogen hormone. The brand name is Duphaston and manufactured by Abbott. Dydrogesterone was first introduced to the market in 1961, and is currently approved in over 100 countries worldwide. It has an estimated cumulative exposure of more than 28 million patients. Dydrogesterone is a potent, orally active progestogen indicated in a wide variety of gynaecological conditions. Although similar in molecular structure and pharmacological effects to endogenous progesterone. (Wikipedia)
(-)-Ibogaine
(17R)-17-Hydroxy-13-methyl-17-prop-2-enyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
11-[3-(Dimethylamino)-2-methylpropyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol
2,4-Dodecadienoic acid, 11-methoxy-3,7,11-trimethyl-, 1-methylethyl ester, (2Z,4E,7S)-
Plomestane
(11R,12S,13S)-Epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid
(11r,12s,13s)-epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic 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 (11r,12s,13s)-epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). (11r,12s,13s)-epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid can be found in rice, which makes (11r,12s,13s)-epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid a potential biomarker for the consumption of this food product.
(11S,12S,13S)-Epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid
(11s,12s,13s)-epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic 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 (11s,12s,13s)-epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). (11s,12s,13s)-epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid can be found in rice, which makes (11s,12s,13s)-epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid a potential biomarker for the consumption of this food product.
6-Methylgingediol
6-methylgingediol is a member of the class of compounds known as dimethoxybenzenes. Dimethoxybenzenes are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. 6-methylgingediol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 6-methylgingediol can be found in ginger, which makes 6-methylgingediol a potential biomarker for the consumption of this food product.
Magnesium octanoate
It is used in foods as a binder, emulsifier and anticaking agent.
Uvarisesquiterpene B
2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
porrigenic acid
A natural product found in Pleurocybella porrigens.
(2E,6R)-2,6-Dimethyl-8-hydroxy-2-octenoic acid 8-O-[6-O-(E)-p-coumaroyl]-beta-D-glucopyranoside
Ethyl oleate
Ethyl Oleate is a fatty acid ester formed by the condensation of oleic acid and ethanol. Ethyl oleate is the liquid lipid component in nanostructured lipid carriers (NLCs). NLC is a promising vehicle for oral trans-Ferulic acid (TFA) administration[1]. Ethyl Oleate is a fatty acid ester formed by the condensation of oleic acid and ethanol. Ethyl oleate is the liquid lipid component in nanostructured lipid carriers (NLCs). NLC is a promising vehicle for oral trans-Ferulic acid (TFA) administration[1].
Cannabinodiol
Cannabinodiol is a natural product found in Cannabis sativa with data available. See also: Cannabis sativa subsp. indica top (part of).
methyl (2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyltetradeca-2,4,8-trienoate
Siphonarienolone|[4S,5R,6E,8S,10S,12S]-5-hydroxy-4,6,8,10,12-pentamethyl-pentadec-6-en-3-one
7-methoxy-9-methyl-hexadeca-4(E),8(E)-dienoic acid methyl ester|7-Methoxy-9-methylhexadeca-4(E),8(E)-diensaeuremethylester
(2E,3R,4R)-2-(11-dodecenylidene)-3-hydroxy-4-methoxy-4-methylbutanolide
(-)-oploxyne B|10-methoxyheptadeca-4,6-diyne-3,8,9-triol|oploxyne B
(12RS)-(8E,10E)-12-hydroxy-7-oxo-8,10-octadecadienoic acid
3beta,14-dihydroxy-Delta7,8-drimen-11,12-acetonide
hygrophoron D12|hygrophorone D12|trans-4,5-dihydroxy-5-tridecanoyl-2-cyclopenten-1-one
(R,5E,9E)-13-hydroxy-14-methoxy-6,10,14-trimethylpentadeca-5,9-dien-2-one
(-)-methyl (2E)-2-[(1R)-1-hydroxy-2-oxopropyl]tetradeca-2,13-dienoate|secoisolitsealiicolide B
ent-labd-8(17)-ene-15,18-dioic acid
C19H31FO2 (310.23079579999995)
(+)-(9R,10E,12Z)-9-methoxyoctadeca-10,12-dienoic acid
4-ethyl-7-methyl-4,4a,5,6,6a,7,12,12a-octahydro-1H,3H-2,6-cyclo-1,11b-methano-pyrido[3,4:4,5]cyclohepta[1,2-b]indol-3-ol|ajmalan-21-ol|Iso-sandwian
(9Z,12R,15Z)-Me ester-12-Hydroxy-9,15-octadecadienoic acid
(R)-(3E,5E,7E,9E,11E)-3,11-dimethyl-12-(2,4-dimethyl-3-oxocyclopent-1-enyl)dodeca-3,5,7,9,11-pentaen-2-one|falconensone A
Ethyl_oleate
Ethyl oleate is a long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of oleic acid with the hydroxy group of ethanol. It has a role as a plant metabolite and an acaricide. It is functionally related to an oleic acid. Ethyl oleate is a natural product found in Azadirachta indica, Cinnamomum camphora, and other organisms with data available. A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of oleic acid with the hydroxy group of ethanol. Ethyl Oleate is a fatty acid ester formed by the condensation of oleic acid and ethanol. Ethyl oleate is the liquid lipid component in nanostructured lipid carriers (NLCs). NLC is a promising vehicle for oral trans-Ferulic acid (TFA) administration[1]. Ethyl Oleate is a fatty acid ester formed by the condensation of oleic acid and ethanol. Ethyl oleate is the liquid lipid component in nanostructured lipid carriers (NLCs). NLC is a promising vehicle for oral trans-Ferulic acid (TFA) administration[1].
Sterebin A
Sterebin A is a sesquiterpenoid. Sterebin A is a natural product found in Stevia rebaudiana with data available.
Gestodene
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
Mestranol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
Altrenogest
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins
methyl (2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyltetradeca-2,4,8-trienoate
Gestoden
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents CONFIDENCE standard compound; INTERNAL_ID 2807 CONFIDENCE standard compound; INTERNAL_ID 8740
C20H38O2_(2R)-1-(5-Hydroxy-3-methylpentyl)-2,5,5,8a-tetramethyldecahydro-2-naphthalenol
(E)-4-[(1R,2S,3S,4R,8aS)-2,3,4-trihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-3-en-2-one
cannabinol
C308 - Immunotherapeutic Agent > C574 - Immunosuppressant
N-butyl-N-(1-(cyclohexylamino)-1-oxobutan-2-yl)butyramide
4,4-Methandiylbis(2,6-diethylanilin)
CONFIDENCE standard compound; INTERNAL_ID 315; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8863; ORIGINAL_PRECURSOR_SCAN_NO 8861 ORIGINAL_PRECURSOR_SCAN_NO 8861; CONFIDENCE standard compound; INTERNAL_ID 315; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8863 CONFIDENCE standard compound; INTERNAL_ID 315; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8875; ORIGINAL_PRECURSOR_SCAN_NO 8873 CONFIDENCE standard compound; INTERNAL_ID 315; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8907; ORIGINAL_PRECURSOR_SCAN_NO 8905 CONFIDENCE standard compound; INTERNAL_ID 315; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8912; ORIGINAL_PRECURSOR_SCAN_NO 8910 CONFIDENCE standard compound; INTERNAL_ID 315; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8897; ORIGINAL_PRECURSOR_SCAN_NO 8895 CONFIDENCE standard compound; INTERNAL_ID 315; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8938; ORIGINAL_PRECURSOR_SCAN_NO 8933
(E)-4-[(1R,2S,3S,4R,8aS)-2,3,4-trihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-3-en-2-one_major
methyl (2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyltetradeca-2,4,8-trienoate_major
(E)-4-[(1R,2S,3S,4R,8aS)-2,3,4-trihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-3-en-2-one_21.1\\%
9S-hydroxy-12R,13S-epoxy-10E,15Z-octadecadienoic acid
C20:1n-7
Paullinic acid is a long-chain fatty acid that has been detected in multiple biofluids, such as blood and urine.
9S-hydroxy-10S,11S-epoxy-12Z,15Z-octadecadienoic acid
(9Z,11R,12S,13S,15Z)-12,13-Epoxy-11-hydroxy-9,15-octadecadienoic acid
6,8-Icosanedione
A beta-diketone that is icosane in which the methylene hydrogens at positions 6 and 8 have been replaced by oxo groups.
5,7-Icosanedione
A beta-diketone that is icosane in which the methylene hydrogens at positions 5 and 7 have been replaced by oxo groups.
Methyl (2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyl-2,4,8-tetradecatrienoate
FA 20:1
Paullinic acid is a long-chain fatty acid that has been detected in multiple biofluids, such as blood and urine.
Desogestrel
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03A - Hormonal contraceptives for systemic use > G03AC - Progestogens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
trans-2,3-difluror-4-(4-propylcyclohexyl)butoxybenzene
C19H28F2O (310.21081019999997)
Plomestane
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D047072 - Aromatase Inhibitors C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents
1-Benzyl-4-phenylamino-4-(methoxymethyl)piperidine
(1S,4S,8S)-5-BENZYL-8-METHOXY-1,8-DIMETHYL-2-(2-METHYLPROPYL)-BICYCLO [2.2.2]OCTA-2,5-DIENE
3-(6-methoxynaphthalen-2-yl)-3,9-diazaspiro[5.5]undecane
1-(2,2-Diethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
1-(2,2-DIMETHOXY-ETHYL)-3,5-DIMETHYL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-1H-PYRAZOLE
4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylaniline
2-(2-(BENZYLOXY)-5-(TERT-BUTYL)PHENYL)-2-METHYLPROPANAL
4-(TRANS-4-PROPYLCYCLOHEXYL)-2-FLUORO-4-METHYLBIPHENYL
1,1-bis(4-hydroxyphenyl)-3,3,5-trimethylcyclohexane
S-Methoprene
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(1R,2R,4R)-6-benzyl-2-methoxy-2,4-dimethyl-8-(2-methylpropyl)bicyclo[2.2.2]octa-5,7-diene
4-(3,6-Dimethyl-3-heptyl)phenol-3,5-d2 diethoxylate solution
C19H30D2O3 (310.24768655599996)
1-[(trans,trans)-4-(3-Buten-1-yl)[1,1-bicyclohexyl]-4-yl]-4-methyl-benzene
TRANS-1-ETHOXY-2,3-DIFLUORO-4-(4-PENTYL-CYCLOHEXYL)-BENZENE
C19H28F2O (310.21081019999997)
Ethoxylated-2,5,8,11-Tetramethyl-6-Dodecyn-5,8-Dio
3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 1-butyl-, 1,1-dimethylethyl ester, (1R)
2-((3-TERT-BUTYLDIMETHYLSILYLOXY)-1-BUTYN-1-YL)-4,4,5,5-TETRAMETHYL-(1,3,2)DIOXABOROLANE
Methoprene
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Same as: D08200
trans-2-Icosenoic acid
An icosenoic acid in which the double bond is at the 2-3 position and has E configuration.
5-(3,5-Di-sec-butylcyclopent-1-enyl)-5-hydroxy-3-oxovaleric acid
(8r,9z,12z)-8-Hydroxy-6-Oxooctadeca-9,12-Dienoic Acid
(8e,10s,12z)-10-Hydroxy-6-Oxooctadeca-8,12-Dienoic Acid
Gondoic acid
Gondoic acid (cis-11-Eicosenoic acid), a monounsaturated long-chain fatty acid, is contained in a variety of plant oils and nuts[1]. Gondoic acid (cis-11-Eicosenoic acid), a monounsaturated long-chain fatty acid, is contained in a variety of plant oils and nuts[1].
(17R)-17-Hydroxy-13-methyl-17-prop-2-enyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
(6Z,9Z,11E)-13-hydroperoxyoctadeca-6,9,11-trienoic acid
13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)
(9R,12Z,15Z)-9-Hydroxy-10-oxo-12,15-octadecadienoic acid
(11E,15Z)-10-Oxo-13-hydroxy-11,15-octadecadienoic acid
(9Z,15Z)-12-Oxo-13-hydroxy-9,15-octadecadienoic acid
(9S,12Z,15Z)-9-Hydroxy-10-oxo-12,15-octadecadienoic acid
(9E,11E,14E)-13-hydroperoxyoctadeca-9,11,14-trienoic acid
[3-carboxy-2-[(2E,5Z,7E)-deca-2,5,7-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,4E,6E)-deca-2,4,6-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,5E,7E)-deca-3,5,7-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,6E,8E)-deca-2,6,8-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,4E,7E)-deca-2,4,7-trienoyl]oxypropyl]-trimethylazanium
(10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
(13S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
2-(1-Methyl-1-pyrrolidin-1-iumyl)acetic acid cyclododecyl ester
{[(9Z)-hexadec-9-enoyl]amino}acetate
C18H32NO3- (310.23820620000004)
N-(diphenylmethyl)-2-(3-methylbutylamino)acetamide
(13R)-hydroperoxy-(9Z,11E,15Z)-octadecatrienoic acid
(11S)-hydroperoxy-(9Z,12Z,15Z)-octadecatrienoic acid
1-[1-[2-[(2S,5R,6R)-5-amino-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-triazolyl]-1-cyclopentanol
(Z)-10-[(1R,2S,3R,5S)-3-[(1S)-1-hydroxypropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]dec-9-enoic acid
(Z)-10-[(1R,3S,4R,6R,7S)-3-ethyl-6-hydroxy-2-oxabicyclo[2.2.1]heptan-7-yl]dec-9-enoic acid
10-HPO(6,8,12)TrE
A hydroperoxy fatty acid that is (6Z,8E,12Z)-octadecatrienoic acid in which the hydroperoxy group is located at position 10.
10(R)-HPO(6,8,12)TrE
A hydroperoxy fatty acid that is (6Z,8E,12Z)-octadecatrienoic acid in which the hydroperoxy group is located at the 10(R)-position.
(8R,9S,13S,14R,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
(11R)-hydroperoxy-(9Z,12Z,15Z)-octadecatrienoic acid
(3R,5S,8E,10E,12E)-3,5,7-trihydroxynonadeca-8,10,12-trienal
(Z,2R,3R)-2-ethyl-3-hydroxy-7-[2-[(3S)-3-methyl-2-oxopentyl]cyclopropyl]hept-5-enoic acid
(8E,10E,12E)-3,5,7-trihydroxyoctadeca-8,10,12-trienal
(2R,3R)-2-ethyl-3-hydroxy-4-[2-[(Z,6S)-6-methyl-5-oxooct-2-enyl]cyclopropyl]butanoic acid
(8E,10R,12Z,15Z)-10-hydroperoxyoctadeca-8,12,15-trienoic acid
(E,10R)-10-hydroxy-11-[3-[(Z)-pent-2-enyl]oxiran-2-yl]undec-8-enoic acid
(8R,9Z,12Z,15Z)-8-Hydroperoxy-9,12,15-octadecatrienoic acid
(3R,5R)-7-[(1S,2S,4aR,8aS)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
(1R,15S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene
9-Hydroperoxy-10,12,15-octadecatrienoic acid
D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
(1R,15S,17S)-17-ethyl-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene
(8R,9R,13S,14S,17S)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
Estra-4,9,11-trien-3-one, 17beta-hydroxy-17-(2-propenyl)-
(8R,9R,10R,13S,14S,17S)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one
7-Methylene-6-(trimethylsilylmethyl)tridecane-5,9-dione
8-Methoxy-2-methyl-6-methylene-7-[(trimethylsilyl)methyl]-2-dodecene
C19H38OSi (310.26917779999997)
8-Methoxy-2,10-dimethyl-6-methylene-7-[(trimethylsilyl)methyl]-2-undecene
C19H38OSi (310.26917779999997)
(5S,6E,8S,9Z,13S,14R)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one
(9E,13E,15E)-12-hydroperoxyoctadeca-9,13,15-trienoic acid
(5S,6Z,8S,13S,14R)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one
Paullinic acid
Paullinic acid is a long-chain fatty acid that has been detected in multiple biofluids, such as blood and urine.
13(s)-hydroperoxy-(9z,11e,15z)-octadecatrienoic acid
A lipid hydroperoxide, obtained by the formal substitution of a hydrogen at position 9 of (9Z,11E,15Z)-octadeca-9,11,15-trienoic acid by a hydroperoxy group (the 13S-stereoisomer). Biochemically, it is an 18-C rearrangement and primary peroxidation product of alpha-linolenic acid, an intermediate in prostaglandin and leukotriene metabolism, and the substrate of the lyase enzyme hydroperoxide dehydratase. D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoate
(8E,10S,12Z,15Z)-10-hydroperoxyoctadeca-8,12,15-trienoic acid
9(S)-HPOT
D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
(9Z,11E,13S,14Z)-13-hydroperoxyoctadecatrienoic acid
A hydroperoxyoctadecatrienoic acid that is (9Z,11E,14Z)-octadecatrienoic acid in which the hydroperoxy group is located at position 13S.
(17Z)-icosenoic acid
A 17-icosenoic acid in which the double bond adopts cis-configuration.
N-[(9Z)-hexadecenoyl]glycinate
C18H32NO3 (310.23820620000004)
An N-acylglycinate resulting from the deprotonation of the carboxy group of N-[(9Z)-hexadecenoyl]glycine. The major species at pH 7.3.
(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
10,12-Octadecadienoic acid, 9-hydroxy-, methyl ester, (E,E)-D-(+)-
(E)-3,7-Dimethyl-6-octenyl 3,7-dimethyl-2,6-octadienoate
2(R)-HPOT
A hydroperoxy fatty acid that is alpha-linolenic acid having a single hydroperoxy substituent located at the 2R-position.
(Z)-icos-13-enoic acid
An icosenoic acid having a cis- double bond at position 13.
(11Z)-icos-11-enoic acid
An icosenoic acid having a cis- double bond at position 11.