Exact Mass: 416.3632

Exact Mass Matches: 416.3632

Found 86 metabolites which its exact mass value is equals to given mass value 416.3632, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Gamma-tocopherol

(2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol

C28H48O2 (416.3654)


Gamma-tocopherol is a tocopherol in which the chroman-6-ol core is substituted by methyl groups at positions 7 and 8. It is found particularly in maize (corn) oil and soya bean (soybean) oils. It has a role as a plant metabolite, a food antioxidant and an algal metabolite. It is a vitamin E and a tocopherol. gamma-Tocopherol is under investigation in clinical trial NCT00836368 (In Vitro Basophil Responsiveness to Allergen Challenge After Gamma-tocopherol Supplementation in Allergic Asthmatics). gamma-Tocopherol is a natural product found in Hypericum perfoliatum, Hypericum tomentosum, and other organisms with data available. Gamma-Tocopherol is the orally bioavailable gamma form of the naturally-occurring fat-soluble vitamin E, found in certain nuts and seeds, with potential antioxidant activity. Although the exact mechanism of action of this tocopherol has yet to be fully identified, gamma-tocopherol appears to have the ability to scavenge free radicals, thereby protecting against oxidative damage. A natural tocopherol with less antioxidant activity than ALPHA-TOCOPHEROL. It exhibits antioxidant activity by virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus. As in BETA-TOCOPHEROL, it also has three methyl groups on the 6-chromanol nucleus but at different sites. gamma-Tocopherol, also known as 7,8-dimethyltocol, belongs to the class of organic compounds known as tocopherols. These are vitamin E derivatives containing a saturated trimethyltridecyl chain attached to the carbon C6 atom of a benzopyran ring system. They differ from tocotrienols which contain an unsaturated trimethyltrideca-3,7,11-trien-1-yl chain. It is estimated that 50\\\\\% of gamma-tocopherol is metabolized into gamma-CEHC and excreted into the urine. gamma-Tocopherol is the predominant form of vitamin E in plant seeds and derived products (e.g. nuts and vegetable oils). Unlike alpha-tocopherol, gamma-tocopherol inhibits cyclooxygenase activity and, therefore, exhibit anti-inflammatory properties (PMID: 11722951). Occurs in many nut and other vegetable oils such as soya and sunflower oil. It is used as antioxidant food additive. Member of Vitamin E group. Added to fats and oils to prevent rancidity. The naturally occurring tocopherol is a single steroisomer; synthetic forms are a mixture of all eight possible isomers [DFC] A tocopherol in which the chroman-6-ol core is substituted by methyl groups at positions 7 and 8. It is found particularly in maize (corn) oil and soya bean (soybean) oils. (+)-γ-Tocopherol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=54-28-4 (retrieved 2024-07-01) (CAS RN: 54-28-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). γ-Tocopherol (D-γ-Tocopherol) is a potent cyclooxygenase (COX) inhibitor. γ-Tocopherol is a naturally occurring form of Vitamin E in many plant seeds, such as corn oil and soybeans. γ-Tocopherol possesses antiinflammatory properties and anti-cancer activity[1]. γ-Tocopherol (D-γ-Tocopherol) is a potent cyclooxygenase (COX) inhibitor. γ-Tocopherol is a naturally occurring form of Vitamin E in many plant seeds, such as corn oil and soybeans. γ-Tocopherol possesses antiinflammatory properties and anti-cancer activity[1].

   

Beta-tocopherol

(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol

C28H48O2 (416.3654)


beta-Tocopherol is an antioxidant which is synthesized by photosynthetic organisms and plays an important role in human and animal nutrition. beta-Tocopherols can be oxidized in dry CH2Cl2 or CH3CN by one electron to form cation radicals that deprotonate to form the neutral phenoxyl radicals, which are then immediately further oxidized by one electron to the phenoxonium cations (an ECE electrochemical mechanism, where E signifies an electron transfer and C represents a chemical step, with the electrochemical mechanism having been determined by in situ spectroscopic analysis). The phenoxonium cation of beta-tocopherol is stable for several minutes (PMID: 16771430). beta-Tocopherol has been identified in the human placenta (PMID: 32033212). (rel)-β-Tocopherol is a relative configuration of β-Tocopherol.(±)-β-Tocopherol is a lipid-soluble form of vitamin E with antioxidant activity. β-Tocopherol can inhibit tyrosinase activity and melanin synthesis. β-Tocopherol also can prevent the inhibition of cell growth and of PKC activity caused by d-alpha-tocopherol[1].

   

ST 28:1;O2

4alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol

C28H48O2 (416.3654)


   

22alpha-Hydroxy-campesterol

22α-Hydroxy-campesterol

C28H48O2 (416.3654)


A brassinosteroid that is campesterol bearing an additional 22S-hydroxy substituent.

   

22alpha-Hydroxy-5alpha-campestan-3-one

(1S,2S,7S,10R,11S,14R,15S)-14-[(2S,3S,5R)-3-hydroxy-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-one

C28H48O2 (416.3654)


22alpha-Hydroxy-5alpha-campestan-3-one belongs to the class of organic compounds known as monohydroxy bile acids, alcohols, and derivatives. These are bile acids, alcohols, or any of their derivatives bearing a hydroxyl group. Thus, 22alpha-hydroxy-5alpha-campestan-3-one is considered to be a sterol lipid molecule. 22alpha-Hydroxy-5alpha-campestan-3-one is involved in the brassinosteroid biosynthesis pathway (brassinosteroids are found in plants). 22alpha-Hydroxy-5alpha-campestan-3-one is produced from either 5alpha-campestan-3-one or 22alpha-hydroxy-campest-4-en-3-one, through the function of steroid 22-alpha-hydroxylase (EC 1.14.13.-) or steroid reductase DET2 (EC 1.3.99.-), respectively. 22alpha-Hydroxy-5alpha-campestan-3-one is then converted into 6-deoxocathasterone.

   

Phytylplastoquinol

(R,R)-2,3-dimethyl-6-phytylhydroquinone

C28H48O2 (416.3654)


The (R,R)-stereoisomer of 2,3-dimethyl-6-phytylhydroquinone.

   

13Z,16Z,19Z,22Z-octacosatetraenoic acid

(13Z,16Z,19Z,22Z)-Octacosatetraenoic acid; 13Z,16Z,19Z,22Z-Octacosatetraenoic acid; (13Z,16Z,19Z,22Z)-Octacosa-13,16,19,22-tetraenoic acid

C28H48O2 (416.3654)


   

Cyclostenol

12,16-dimethyl-15-(6-methylheptan-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-6,9-diol

C28H48O2 (416.3654)


Cyclostenol is found in fruits. Cyclostenol is a constituent of Stenocereus thurberi (organ pipe cactus)

   

z2-Tocopherol

2,5,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol

C28H48O2 (416.3654)


z2-Tocopherol is found in cereals and cereal products. z2-Tocopherol is a constituent of rice Constituent of rice. z2-Tocopherol is found in cereals and cereal products.

   

4Alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol

(3S,4R,10S,13R)-4-(hydroxymethyl)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

C28H48O2 (416.3654)


4Alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol is a 3-beta-hydroxysterol that is an intermediate in cholesterol biosynthesis. It is a substrate for C-4 methyl sterol oxidase (SC4MOL) and can be generated from the enzymatic reduction of 4a-formyl-5a-cholesta-8-en-3b-ol. The sequence of reactions and the types of intermediates in cholesterol biosynthesis may vary. Alternate routes exist because reduction of the carbon 24,25 double bond on the hydrocarbon side chain of the sterol ring structure by sterol delta24-reductase can occur at multiple points in the pathway, giving rise to different intermediates. These intermediates, with or without a double bond in the hydrocarbon side chain, can serve as substrates for the other enzymes in the pathway.

   

7alpha-Hydroxycampesterol

(2R,5S,9S,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-5,9-diol

C28H48O2 (416.3654)


7alpha-hydroxycampesterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 7alpha-hydroxycampesterol can be found in fennel, which makes 7alpha-hydroxycampesterol a potential biomarker for the consumption of this food product.

   

Phytylplastoquinol

2,3-dimethyl-5-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]benzene-1,4-diol

C28H48O2 (416.3654)


Phytylplastoquinol, also known as 2,3-dimethyl-6-phytylbenzene-1,4-diol, is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Phytylplastoquinol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Phytylplastoquinol can be found in spinach, which makes phytylplastoquinol a potential biomarker for the consumption of this food product.

   

(22S,24R)-22-hydroxy-5alpha-ergostan-3-one

14-(3-hydroxy-5,6-dimethylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one

C28H48O2 (416.3654)


(22s,24r)-22-hydroxy-5alpha-ergostan-3-one belongs to monohydroxy bile acids, alcohols and derivatives class of compounds. Those are bile acids, alcohols or any of their derivatives bearing a hydroxyl group (22s,24r)-22-hydroxy-5alpha-ergostan-3-one is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (22s,24r)-22-hydroxy-5alpha-ergostan-3-one can be found in a number of food items such as nutmeg, lentils, pepper (c. frutescens), and ohelo berry, which makes (22s,24r)-22-hydroxy-5alpha-ergostan-3-one a potential biomarker for the consumption of these food products.

   

(22alpha)-hydroxy-campesterol

14-(3-hydroxy-5,6-dimethylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol

C28H48O2 (416.3654)


(22alpha)-hydroxy-campesterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (22alpha)-hydroxy-campesterol can be found in a number of food items such as plains prickly pear, european cranberry, roman camomile, and caraway, which makes (22alpha)-hydroxy-campesterol a potential biomarker for the consumption of these food products.

   

2,3-dimethyl-6-phytyl-1,4-benzoquinol

2,3-dimethyl-5-(3,7,11,15-tetramethylhexadec-2-en-1-yl)benzene-1,4-diol

C28H48O2 (416.3654)


2,3-dimethyl-6-phytyl-1,4-benzoquinol is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. 2,3-dimethyl-6-phytyl-1,4-benzoquinol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2,3-dimethyl-6-phytyl-1,4-benzoquinol can be found in a number of food items such as chinese cinnamon, eggplant, anise, and swamp cabbage, which makes 2,3-dimethyl-6-phytyl-1,4-benzoquinol a potential biomarker for the consumption of these food products.

   

6-oxocampestanol

14-(5,6-dimethylheptan-2-yl)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-one

C28H48O2 (416.3654)


6-oxocampestanol belongs to ergosterols and derivatives class of compounds. Those are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton. 6-oxocampestanol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 6-oxocampestanol can be found in a number of food items such as eggplant, deerberry, arctic blackberry, and fig, which makes 6-oxocampestanol a potential biomarker for the consumption of these food products.

   

2,3-Dimethyl-6-phytyl-1,4-benzoquinone

2,3-Dimethyl-6-phytyl-1,4-benzoquinone

C28H48O2 (416.3654)


   

Macdougallin

Macdougallin

C28H48O2 (416.3654)


   

7alpha-Hydroxycampesterol

7alpha-Hydroxycampesterol

C28H48O2 (416.3654)


   

3-Me ether-(3beta, 20S, 22R)-Cholest-5-ene-3, 22-diol, 9CI

3-Me ether-(3beta, 20S, 22R)-Cholest-5-ene-3, 22-diol, 9CI

C28H48O2 (416.3654)


   

(24S)-24-methylcholest-4-ene-3beta,6beta-diol|(24S)-24-methylenecholest-4-ene-3beta,6beta-diol|(3beta,6beta,24S)-Ergost-4-ene-3,6-diol

(24S)-24-methylcholest-4-ene-3beta,6beta-diol|(24S)-24-methylenecholest-4-ene-3beta,6beta-diol|(3beta,6beta,24S)-Ergost-4-ene-3,6-diol

C28H48O2 (416.3654)


   

Me ether-3-Hydroxycholestan-6-one,9CI

Me ether-3-Hydroxycholestan-6-one,9CI

C28H48O2 (416.3654)


   

5,6-dimethyl-3-(3,7,11,15-tetramethylhexadecyl)-1,4-benzoquinone

5,6-dimethyl-3-(3,7,11,15-tetramethylhexadecyl)-1,4-benzoquinone

C28H48O2 (416.3654)


   

(20R,22E)-24-methylcholest-22-ene-3beta,21-diol

(20R,22E)-24-methylcholest-22-ene-3beta,21-diol

C28H48O2 (416.3654)


   

3beta,16beta-dihydroxy-24(S)-methylcholestenol

3beta,16beta-dihydroxy-24(S)-methylcholestenol

C28H48O2 (416.3654)


   

24(xi)-methyl-25(xi)-cholest-5-ene-3beta,26-diol

24(xi)-methyl-25(xi)-cholest-5-ene-3beta,26-diol

C28H48O2 (416.3654)


   

beta-Sitosterol

beta-Sitosterol

C28H48O2 (416.3654)


   

(24S)-24-methylcholest-5-en-3beta,25-diol|(24S)-24-methylcholest-5-ene-3beta,25-diol|24-methylcholest-5-ene-3beta,25-diol|24xi-methylcholest-5-ene-3beta,25 diol|ergost-5-en-3,25-diol|hydroxy-25 methyl-24xi cholesterol

(24S)-24-methylcholest-5-en-3beta,25-diol|(24S)-24-methylcholest-5-ene-3beta,25-diol|24-methylcholest-5-ene-3beta,25-diol|24xi-methylcholest-5-ene-3beta,25 diol|ergost-5-en-3,25-diol|hydroxy-25 methyl-24xi cholesterol

C28H48O2 (416.3654)


   

SCHEMBL12198154

SCHEMBL12198154

C28H48O2 (416.3654)


   

(24S)-24-methylcholest-5-ene-1alpha,3beta-diol

(24S)-24-methylcholest-5-ene-1alpha,3beta-diol

C28H48O2 (416.3654)


   

(20R)-24-methylenecholestane-3beta,21-diol

(20R)-24-methylenecholestane-3beta,21-diol

C28H48O2 (416.3654)


   

(3beta,5alpha,24xi)-3-Hydroxyergostan-6-one

(3beta,5alpha,24xi)-3-Hydroxyergostan-6-one

C28H48O2 (416.3654)


   

Gamma-tocopherol/beta-tocopherol

2H-1-BENZOPYRAN-6-OL, 3,4-DIHYDRO-2,5,8-TRIMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-, (2R*(4R*,8R*))- 6-CHROMANOL, 2,5,8-TRIMETHYL-2-(4,8,12-TRIMETHYLTRIDECYL)-

C28H48O2 (416.3654)


beta-Tocopherol is an antioxidant which is synthesized by photosynthetic organisms and plays an important role in human and animal nutrition. beta-Tocopherols can be oxidized in dry CH2Cl2 or CH3CN by one electron to form cation radicals that deprotonate to form the neutral phenoxyl radicals, which are then immediately further oxidized by one electron to the phenoxonium cations (an ECE electrochemical mechanism, where E signifies an electron transfer and C represents a chemical step, with the electrochemical mechanism having been determined by in situ spectroscopic analysis). The phenoxonium cation of beta-tocopherol is stable for several minutes (PMID: 16771430). beta-Tocopherol has been identified in the human placenta (PMID: 32033212). Beta-tocopherol is a tocopherol in which the chroman-6-ol core is substituted by methyl groups at positions 5 and 8. While it is found in low concentrations in many vegetable oils, only cottonseed oil contains significant amounts. It has a role as a plant metabolite and a food component. It is a vitamin E and a tocopherol. beta-Tocopherol is a natural product found in Trachycarpus fortunei, Crataegus monogyna, and other organisms with data available. A natural tocopherol with less antioxidant activity than alpha-tocopherol. It exhibits antioxidant activity by virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus. As in GAMMA-TOCOPHEROL, it also has three methyl groups on the 6-chromanol nucleus but at different sites. A tocopherol in which the chroman-6-ol core is substituted by methyl groups at positions 5 and 8. While it is found in low concentrations in many vegetable oils, only cottonseed oil contains significant amounts. (rel)-β-Tocopherol is a relative configuration of β-Tocopherol.(±)-β-Tocopherol is a lipid-soluble form of vitamin E with antioxidant activity. β-Tocopherol can inhibit tyrosinase activity and melanin synthesis. β-Tocopherol also can prevent the inhibition of cell growth and of PKC activity caused by d-alpha-tocopherol[1]. β-Tocopherol is an analogue of vitamin E, exhibits antioxidant properties. β-Tocopherol can inhibit tyrosinase activity and melanin synthesis. β-Tocopherol also can prevent the inhibition of cell growth and of PKC activity caused by d-alpha-tocopherol[1][2][3]. β-Tocopherol is an analogue of vitamin E, exhibits antioxidant properties. β-Tocopherol can inhibit tyrosinase activity and melanin synthesis. β-Tocopherol also can prevent the inhibition of cell growth and of PKC activity caused by d-alpha-tocopherol[1][2][3].

   

b-Tocopherol

2,5,8-Trimethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol

C28H48O2 (416.3654)


(rel)-β-Tocopherol is a relative configuration of β-Tocopherol.(±)-β-Tocopherol is a lipid-soluble form of vitamin E with antioxidant activity. β-Tocopherol can inhibit tyrosinase activity and melanin synthesis. β-Tocopherol also can prevent the inhibition of cell growth and of PKC activity caused by d-alpha-tocopherol[1].

   

28:4(w6)

13Z,16Z,19Z,22Z-octacosatetraenoic acid

C28H48O2 (416.3654)


   

z2-Tocopherol

2,5,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol

C28H48O2 (416.3654)


   

Cyclostenol

12,16-dimethyl-15-(6-methylheptan-2-yl)pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecane-6,9-diol

C28H48O2 (416.3654)


   

28:4n6

13Z,16Z,19Z,22Z-octacosatetraenoic acid

C28H48O2 (416.3654)


   

FA 28:4

(11S)-10,11-methylene-5Z,9E,20Z-heptacosatrienoic acid

C28H48O2 (416.3654)


   

N-OCTADECYLTRIETHOXYSILANE

N-OCTADECYLTRIETHOXYSILANE

C24H52O3Si (416.3686)


   

Tetramethylammonium bicarbonate

Tetramethylammonium bicarbonate

C18H48N4O6 (416.3574)


   

Samarium nitrate hexahydrate

Samarium nitrate hexahydrate

Sm(NO3)3•6H2O (416.3632)


   

54-28-4

2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, (2R)-

C28H48O2 (416.3654)


D020011 - Protective Agents > D000975 - Antioxidants > D024505 - Tocopherols D018977 - Micronutrients > D014815 - Vitamins γ-Tocopherol (D-γ-Tocopherol) is a potent cyclooxygenase (COX) inhibitor. γ-Tocopherol is a naturally occurring form of Vitamin E in many plant seeds, such as corn oil and soybeans. γ-Tocopherol possesses antiinflammatory properties and anti-cancer activity[1]. γ-Tocopherol (D-γ-Tocopherol) is a potent cyclooxygenase (COX) inhibitor. γ-Tocopherol is a naturally occurring form of Vitamin E in many plant seeds, such as corn oil and soybeans. γ-Tocopherol possesses antiinflammatory properties and anti-cancer activity[1].

   

(22S,24R)-22-hydroxy-5alpha-ergostan-3-one

14-(3-hydroxy-5,6-dimethylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one

C28H48O2 (416.3654)


(22s,24r)-22-hydroxy-5alpha-ergostan-3-one belongs to monohydroxy bile acids, alcohols and derivatives class of compounds. Those are bile acids, alcohols or any of their derivatives bearing a hydroxyl group (22s,24r)-22-hydroxy-5alpha-ergostan-3-one is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (22s,24r)-22-hydroxy-5alpha-ergostan-3-one can be found in a number of food items such as nutmeg, lentils, pepper (c. frutescens), and ohelo berry, which makes (22s,24r)-22-hydroxy-5alpha-ergostan-3-one a potential biomarker for the consumption of these food products. (22s,24r)-22-hydroxy-5α-ergostan-3-one belongs to monohydroxy bile acids, alcohols and derivatives class of compounds. Those are bile acids, alcohols or any of their derivatives bearing a hydroxyl group (22s,24r)-22-hydroxy-5α-ergostan-3-one is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (22s,24r)-22-hydroxy-5α-ergostan-3-one can be found in a number of food items such as nutmeg, lentils, pepper (c. frutescens), and ohelo berry, which makes (22s,24r)-22-hydroxy-5α-ergostan-3-one a potential biomarker for the consumption of these food products.

   

(22alpha)-hydroxy-campesterol

14-(3-hydroxy-5,6-dimethylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol

C28H48O2 (416.3654)


(22alpha)-hydroxy-campesterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (22alpha)-hydroxy-campesterol can be found in a number of food items such as plains prickly pear, european cranberry, roman camomile, and caraway, which makes (22alpha)-hydroxy-campesterol a potential biomarker for the consumption of these food products. (22α)-hydroxy-campesterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (22α)-hydroxy-campesterol can be found in a number of food items such as plains prickly pear, european cranberry, roman camomile, and caraway, which makes (22α)-hydroxy-campesterol a potential biomarker for the consumption of these food products.

   

4alpha-Hydroxymethyl-5alpha-7-cholesten-3beta-ol

4alpha-Hydroxymethyl-5alpha-7-cholesten-3beta-ol

C28H48O2 (416.3654)


   

2,3-Dimethyl-6-phytylhydroquinone

2,3-Dimethyl-6-phytylhydroquinone

C28H48O2 (416.3654)


   

(3S,7S,10R,13R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

(3S,7S,10R,13R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

C28H48O2 (416.3654)


   

(3S,5S,8S,9S,10R,13R,17R)-17-[(2R,5R)-5,6-Dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

(3S,5S,8S,9S,10R,13R,17R)-17-[(2R,5R)-5,6-Dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

C28H48O2 (416.3654)


   

(5S,8R,9S,10S,13S,17R)-17-[(2S,3S,5R)-3-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

(5S,8R,9S,10S,13S,17R)-17-[(2S,3S,5R)-3-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

C28H48O2 (416.3654)


   

(16Z,19Z,22Z,25Z)-octacosa-16,19,22,25-tetraenoic acid

(16Z,19Z,22Z,25Z)-octacosa-16,19,22,25-tetraenoic acid

C28H48O2 (416.3654)


   

4alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol

4alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol

C28H48O2 (416.3654)


   

22alpha-Hydroxy-5alpha-campestan-3-one

(22S,24R)-22-Hydroxy-5alpha-ergostan-3-one

C28H48O2 (416.3654)


   

22,23-epoxy-5beta-campestan-3beta-ol

22,23-epoxy-5beta-campestan-3beta-ol

C28H48O2 (416.3654)


   

4alpha-hydroxymethyl-5alpha-cholest-8-en-3beta-ol

4alpha-hydroxymethyl-5alpha-cholest-8-en-3beta-ol

C28H48O2 (416.3654)


A 3beta-sterol that is 5alpha-cholest-8-en-3beta-ol carrying an additional hydroxymethyl substituent at position 4alpha.

   

(13Z,16Z,19Z,22Z)-octacosatetraenoic acid

(13Z,16Z,19Z,22Z)-octacosatetraenoic acid

C28H48O2 (416.3654)


A very long-chain omega-6 fatty acid that is octacosanoic acid having four double bonds located at positions 13, 16, 19, 22 (the 13Z,16Z,19Z,22Z-isomer).

   

Octacosatetraenoic acid

Octacosatetraenoic acid

C28H48O2 (416.3654)


   

Hydroxymethylcholestaenol

Hydroxymethylcholestaenol

C28H48O2 (416.3654)


   

(2s)-2,7,8-trimethyl-2-[(4s,8s)-4,8,12-trimethyltridecyl]-3,4-dihydro-1-benzopyran-6-ol

(2s)-2,7,8-trimethyl-2-[(4s,8s)-4,8,12-trimethyltridecyl]-3,4-dihydro-1-benzopyran-6-ol

C28H48O2 (416.3654)


   

(1r,3as,3bs,4r,7s,9ar,9bs,11ar)-1-[(2r,5s)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-4,7-diol

(1r,3as,3bs,4r,7s,9ar,9bs,11ar)-1-[(2r,5s)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-4,7-diol

C28H48O2 (416.3654)


   

(β+γ)-Tocopherol

NA

C28H48O2 (416.3654)


{"Ingredient_id": "HBIN018357","Ingredient_name": "(\u03b2+\u03b3)-Tocopherol","Alias": "NA","Ingredient_formula": "C28H48O2","Ingredient_Smile": "CC1=CC(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36523","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(2r)-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-1-benzopyran-6-ol

(2r)-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-1-benzopyran-6-ol

C28H48O2 (416.3654)


   

(1s,2r,5s,7s,9r,11s,12s,15r,16r)-15-[(2r,5r)-5,6-dimethylheptan-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-5-ol

(1s,2r,5s,7s,9r,11s,12s,15r,16r)-15-[(2r,5r)-5,6-dimethylheptan-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-5-ol

C28H48O2 (416.3654)


   

(1r,3ar,5s,5as,7s,9as,11ar)-3a,9a,11a-trimethyl-1-[(2r)-6-methylheptan-2-yl]-1h,2h,3h,4h,5h,5ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthrene-5,7-diol

(1r,3ar,5s,5as,7s,9as,11ar)-3a,9a,11a-trimethyl-1-[(2r)-6-methylheptan-2-yl]-1h,2h,3h,4h,5h,5ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthrene-5,7-diol

C28H48O2 (416.3654)


   

2,3-dimethyl-5-[(3s,7s,11s)-3,7,11,15-tetramethylhexadecyl]cyclohexa-2,5-diene-1,4-dione

2,3-dimethyl-5-[(3s,7s,11s)-3,7,11,15-tetramethylhexadecyl]cyclohexa-2,5-diene-1,4-dione

C28H48O2 (416.3654)


   

15-(5,6-dimethylheptan-2-yl)-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-5-ol

15-(5,6-dimethylheptan-2-yl)-2,16-dimethyl-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-5-ol

C28H48O2 (416.3654)


   

6-{7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-2,3-dimethylheptan-1-ol

6-{7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-2,3-dimethylheptan-1-ol

C28H48O2 (416.3654)


   

(5z)-9-[(1e,2s)-2-[(9z)-hexadec-9-en-1-yl]cyclopropylidene]non-5-enoic acid

(5z)-9-[(1e,2s)-2-[(9z)-hexadec-9-en-1-yl]cyclopropylidene]non-5-enoic acid

C28H48O2 (416.3654)


   

7β-methoxycholesterol

7β-methoxycholesterol

C28H48O2 (416.3654)


   

(1r,3as,3bs,4s,7s,9ar,9bs,11ar)-1-[(2r,5s)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-4,7-diol

(1r,3as,3bs,4s,7s,9ar,9bs,11ar)-1-[(2r,5s)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-4,7-diol

C28H48O2 (416.3654)


   

(2s,3r,6r)-6-[(1r,3as,3bs,7s,9ar,9bs,11ar)-7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-2,3-dimethylheptan-1-ol

(2s,3r,6r)-6-[(1r,3as,3bs,7s,9ar,9bs,11ar)-7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-2,3-dimethylheptan-1-ol

C28H48O2 (416.3654)


   

9a,11a-dimethyl-1-(5-methylhexan-2-yl)-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl acetate

9a,11a-dimethyl-1-(5-methylhexan-2-yl)-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl acetate

C28H48O2 (416.3654)


   

(1r,3as,3bs,4r,7s,9ar,9bs,11ar)-1-[(2r,5r)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-4,7-diol

(1r,3as,3bs,4r,7s,9ar,9bs,11ar)-1-[(2r,5r)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-4,7-diol

C28H48O2 (416.3654)


   

1-(3-hydroxy-5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-7-one

1-(3-hydroxy-5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-7-one

C28H48O2 (416.3654)


   

2,3-dimethyl-5-(3,7,11,15-tetramethylhexadecyl)cyclohexa-2,5-diene-1,4-dione

2,3-dimethyl-5-(3,7,11,15-tetramethylhexadecyl)cyclohexa-2,5-diene-1,4-dione

C28H48O2 (416.3654)


   

(2s)-2,5,8-trimethyl-2-[(4s,8s)-4,8,12-trimethyltridecyl]-3,4-dihydro-1-benzopyran-6-ol

(2s)-2,5,8-trimethyl-2-[(4s,8s)-4,8,12-trimethyltridecyl]-3,4-dihydro-1-benzopyran-6-ol

C28H48O2 (416.3654)


   

1-(5,6-dimethylheptan-2-yl)-7-hydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-5-one

1-(5,6-dimethylheptan-2-yl)-7-hydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-5-one

C28H48O2 (416.3654)


   

2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-1-benzopyran-6-ol

2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-1-benzopyran-6-ol

C28H48O2 (416.3654)


   

1-(5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-4,7-diol

1-(5,6-dimethylheptan-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-4,7-diol

C28H48O2 (416.3654)


   

(3s,6r)-6-[(1r,3as,3bs,7s,9ar,9bs,11ar)-7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-2,3-dimethylheptan-2-ol

(3s,6r)-6-[(1r,3as,3bs,7s,9ar,9bs,11ar)-7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-2,3-dimethylheptan-2-ol

C28H48O2 (416.3654)


   

(2s)-2,7,8-trimethyl-2-[(4s,8r)-4,8,12-trimethyltridecyl]-3,4-dihydro-1-benzopyran-6-ol

(2s)-2,7,8-trimethyl-2-[(4s,8r)-4,8,12-trimethyltridecyl]-3,4-dihydro-1-benzopyran-6-ol

C28H48O2 (416.3654)


   

(1r,3as,3br,5as,7r,9ar,9br,11ar)-9a,11a-dimethyl-1-[(2r)-5-methylhexan-2-yl]-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl acetate

(1r,3as,3br,5as,7r,9ar,9br,11ar)-9a,11a-dimethyl-1-[(2r)-5-methylhexan-2-yl]-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl acetate

C28H48O2 (416.3654)


   

3a,9a,11a-trimethyl-1-(6-methylheptan-2-yl)-1h,2h,3h,4h,5h,5ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthrene-5,7-diol

3a,9a,11a-trimethyl-1-(6-methylheptan-2-yl)-1h,2h,3h,4h,5h,5ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthrene-5,7-diol

C28H48O2 (416.3654)


   

4-methoxy-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol

4-methoxy-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol

C28H48O2 (416.3654)


   

6-{7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-2,3-dimethylheptan-2-ol

6-{7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-2,3-dimethylheptan-2-ol

C28H48O2 (416.3654)