Exact Mass: 410.3508
Exact Mass Matches: 410.3508
Found 500 metabolites which its exact mass value is equals to given mass value 410.3508,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Squalene
Squalene is an unsaturated aliphatic hydrocarbon (carotenoid) with six unconjugated double bonds found in human sebum (5\\\\%), fish liver oils, yeast lipids, and many vegetable oils (e.g. palm oil, cottonseed oil, rapeseed oil). Squalene is a volatile component of the scent material from Saguinus oedipus (cotton-top tamarin monkey) and Saguinus fuscicollis (saddle-back tamarin monkey) (Hawleys Condensed Chemical Reference). Squalene is a component of adult human sebum that is principally responsible for fixing fingerprints (ChemNetBase). It is a natural organic compound originally obtained for commercial purposes primarily from shark liver oil, though there are botanical sources as well, including rice bran, wheat germ, and olives. All higher organisms produce squalene, including humans. It is a hydrocarbon and a triterpene. Squalene is a biochemical precursor to the whole family of steroids. Oxidation of one of the terminal double bonds of squalene yields 2,3-squalene oxide which undergoes enzyme-catalyzed cyclization to afford lanosterol, which is then elaborated into cholesterol and other steroids. Squalene is a low-density compound often stored in the bodies of cartilaginous fishes such as sharks, which lack a swim bladder and must therefore reduce their body density with fats and oils. Squalene, which is stored mainly in the sharks liver, is lighter than water with a specific gravity of 0.855 (Wikipedia) Squalene is used as a bactericide. It is also an intermediate in the manufacture of pharmaceuticals, rubber chemicals, and colouring materials (Physical Constants of Chemical Substances). Trans-squalene is a clear, slightly yellow liquid with a faint odor. Density 0.858 g / cm3. Squalene is a triterpene consisting of 2,6,10,15,19,23-hexamethyltetracosane having six double bonds at the 2-, 6-, 10-, 14-, 18- and 22-positions with (all-E)-configuration. It has a role as a human metabolite, a plant metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite. Squalene is originally obtained from shark liver oil. It is a natural 30-carbon isoprenoid compound and intermediate metabolite in the synthesis of cholesterol. It is not susceptible to lipid peroxidation and provides skin protection. It is ubiquitously distributed in human tissues where it is transported in serum generally in association with very low density lipoproteins. Squalene is investigated as an adjunctive cancer therapy. Squalene is a natural product found in Ficus septica, Garcinia multiflora, and other organisms with data available. squalene is a metabolite found in or produced by Saccharomyces cerevisiae. A natural 30-carbon triterpene. See also: Olive Oil (part of); Shark Liver Oil (part of). A triterpene consisting of 2,6,10,15,19,23-hexamethyltetracosane having six double bonds at the 2-, 6-, 10-, 14-, 18- and 22-positions with (all-E)-configuration. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Squalene is an intermediate product in the synthesis of cholesterol, and shows several pharmacological properties such as hypolipidemic, hepatoprotective, cardioprotective, antioxidant, and antitoxicant activity. Squalene also has anti-fungal activity and can be used for the research of Trichophyton mentagrophytes research[2]. Squalene is an intermediate product in the synthesis of cholesterol, and shows several pharmacological properties such as hypolipidemic, hepatoprotective, cardioprotective, antioxidant, and antitoxicant activity. Squalene also has anti-fungal activity and can be used for the research of Trichophyton mentagrophytes research[2].
gamma-Tocotrienol
gamma-Tocotrienol, also known as 7,8-dimethyltocotrienol, belongs to the class of organic compounds known as tocotrienols. These are vitamin E derivatives containing an unsaturated trimethyltrideca-3,7,11-trien-1-yl chain attached to the C6 atom of a benzopyran ring system. They differ from tocopherols that contain a saturated trimethyltridecyl chain. Thus, gamma-tocotrienol is considered to be a quinone lipid molecule. gamma-Tocotrienol is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. gamma-Tocotrienol targets cancer cells by inhibiting Id1, a key cancer-promoting protein. gamma-Tocotrienol was shown to trigger cell apoptosis and well as anti-proliferation of cancer cells. This mechanism was also observed in separate prostate cancer and melanoma cell line studies. Constituent of palm oil. Nutriceutical with anticancer props. and a positive influence on the blood lipid profile. gamma-Tocotrienol is found in many foods, some of which are rye, corn, rosemary, and common grape. Acquisition and generation of the data is financially supported in part by CREST/JST. γ-Tocotrienol is an active form of vitamin E. γ-tocotrienol reverses the multidrug resistance (MDR) of breast cancer cells through the signaling pathway of NF-κB and P-gp. γ-Tocotrienol is also a novel radioprotector agent, can mitigate bone marrow radiation damage during targeted radionuclide treatment[1][2][3]. γ-Tocotrienol is an active form of vitamin E. γ-tocotrienol reverses the multidrug resistance (MDR) of breast cancer cells through the signaling pathway of NF-κB and P-gp. γ-Tocotrienol is also a novel radioprotector agent, can mitigate bone marrow radiation damage during targeted radionuclide treatment[1][2][3].
beta-tocotrienol
4,4-Dimethylcholesta-8,14,24-trienol
4,4-Dimethylcholesta-8,14,24-trienol is a product of the enzyme delta14-sterol reductase [EC 1.3.1.70] (KEGG). It is involved in the biosynthesis of steroids and is involved in the conversion of lanosterol to zymosterol. In particular, lanosterol 14-alpha-demethylase, catalyzes the C-14 demethylation of lanosterol to form 4,4-Dimethylcholesta-8,14,24-trienol in the ergosterol biosynthesis pathway. It is thought to be a meiosis activating sterol. [HMDB] 4,4-Dimethylcholesta-8,14,24-trienol is a product of the enzyme delta14-sterol reductase [EC 1.3.1.70] (KEGG). It is involved in the biosynthesis of steroids and is involved in the conversion of lanosterol to zymosterol. In particular, lanosterol 14-alpha-demethylase, catalyzes the C-14 demethylation of lanosterol to form 4,4-Dimethylcholesta-8,14,24-trienol in the ergosterol biosynthesis pathway. It is thought to be a meiosis activating sterol.
delta8,14-Sterol
delta8,14-Sterol, also known as 4alpha-methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol, belongs to the class of organic compounds known as ergosterols and derivatives. These are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton. Thus, delta8,14-sterol is considered to be a sterol lipid molecule. delta8,14-Sterol is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. delta8,14-Sterol is an intermediate in the biosynthesis of steroids and is converted from O-butusifoliol via the enzyme cytochrome P450, family 51, subfamily A (sterol 14-demethylase) (EC 1.14.13.70). It is then converted into 4-alpha-methylfecosterol via the enzyme delta14-sterol reductase (EC 1.3.1.70). Constituent of wheat germ oil (Triticum aestivum)
C30 botryococcene
A triterpene that is docosa-2,6,11,16,20-pentaene bearing six methyl substituents at positions 2, 6, 10, 13, 17 and 21 as well as a vinyl substituent at position 10 (with all-E-configuration).
5-Dehydroavenasterol
5-Dehydroavenasterol belongs to the class of organic compounds known as stigmastanes and derivatives. These are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24. Thus, 5-dehydroavenasterol is considered to be a sterol lipid molecule. 5-Dehydroavenasterol is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 5-Dehydroavenasterol is an intermediate in the biosynthesis of steroids. It is the third to last step in the synthesis of stigmasterol and is converted from delta 7-avenasterol via the enzyme lathosterol oxidase (EC 1.14.21.6). It is then converted into Isofucosterol via the enzyme 7-dehydrocholesterol reductase (EC 1.3.1.21). 5-Dehydroavenasterol is an intermediate in the biosynthesis of steroids (KEGG ID C15783). It is the third to last step in the synthesis of Stigmasterol and is converted from delta 7-Avenasterol via the enzyme lathosterol oxidase [EC:1.14.21.6]. It is then converted to Isofucosterol via the enzyme 7-dehydrocholesterol reductase [EC:1.3.1.21]. [HMDB]. 5-Dehydroavenasterol is found in many foods, some of which are daikon radish, nance, skunk currant, and jujube.
epsilon-Tocopherol
Isolated from wheat bran oil. epsilon-Tocopherol is found in many foods, some of which are rye, coconut, rosemary, and fennel. epsilon-Tocopherol is found in american cranberry. epsilon-Tocopherol is isolated from wheat bran oi
28-Norcyclomusalenone
28-Norcyclomusalenone is found in fruits. 28-Norcyclomusalenone is a constituent of Musa sapientum (banana). Constituent of Musa sapientum (banana). 28-Norcyclomusalenone is found in fruits.
(3beta,22E,24R)-3-Hydroxyergosta-5,8,22-trien-7-one
(3beta,22E,24R)-3-Hydroxyergosta-5,8,22-trien-7-one is found in mushrooms. (3beta,22E,24R)-3-Hydroxyergosta-5,8,22-trien-7-one is a constituent of Grifola frondosa (maitake) Constituent of Grifola frondosa (maitake). (3beta,22E,24R)-3-Hydroxyergosta-5,8,22-trien-7-one is found in mushrooms.
Corbisterol
Constituent of boiled chicken and seed oils. Corbisterol is found in many foods, some of which are animal foods, oat, fats and oils, and arabica coffee. Corbisterol is found in animal foods. Corbisterol is a constituent of boiled chicken and seed oils.
(3beta,22E,24R)-23-Methylergosta-5,7,22-trien-3-ol
(3beta,22E,24R)-23-Methylergosta-5,7,22-trien-3-ol is found in mushrooms. (3beta,22E,24R)-23-Methylergosta-5,7,22-trien-3-ol is a constituent of Lentinula edodes (shiitake) Constituent of Lentinula edodes (shiitake). 23-Methylergosterol is found in mushrooms.
22-Dehydroclerosterol
22-Dehydroclerosterol is found in green vegetables. 22-Dehydroclerosterol is a constituent of pumpkin (leaves). Constituent of pumpkin (leaves). 22-Dehydroclerosterol is found in green vegetables.
(3beta,5alpha,22E,24S)-Stigmasta-7,22,25-trien-3-ol
(3beta,5alpha,22E,24S)-Stigmasta-7,22,25-trien-3-ol is found in bitter gourd. (3beta,5alpha,22E,24S)-Stigmasta-7,22,25-trien-3-ol is a constituent of Momordica charantia (bitter melon). Constituent of Momordica charantia (bitter melon). (3b,5a,22E,24S)-Stigmasta-7,22,25-trien-3-ol is found in many foods, some of which are cucumber, bitter gourd, fruits, and watermelon.
(4alpha,5alpha)-4,14-Dimethyl-9,19-cyclocholest-20-en-3-one
(4alpha,5alpha)-4,14-Dimethyl-9,19-cyclocholest-20-en-3-one is found in fruits. (4alpha,5alpha)-4,14-Dimethyl-9,19-cyclocholest-20-en-3-one is a constituent of Musa paradisiaca (banana).
Stigmasta-4,6-dien-3-one
Stigmasta-4,6-dien-3-one is found in root vegetables. Stigmasta-4,6-dien-3-one is a constituent of a stress metabolite of Manihot esculenta (cassava). Constituent of a stress metabolite of Manihot esculenta (cassava). Stigmasta-4,6-dien-3-one is found in soy bean and root vegetables.
MG(0:0/22:2(13Z,16Z)/0:0)
MG(0:0/22:2(13Z,16Z)/0:0) is a monoacylglyceride. A monoglyceride, more correctly known as a monoacylglycerol, is a glyceride consisting of one fatty acid chain covalently bonded to a glycerol molecule through an ester linkage. Monoacylglycerol can be broadly divided into two groups; 1-monoacylglycerols (or 3-monoacylglycerols) and 2-monoacylglycerols, depending on the position of the ester bond on the glycerol moiety. Normally the 1-/3-isomers are not distinguished from each other and are termed alpha-monoacylglycerols, while the 2-isomers are beta-monoacylglycerols. Monoacylglycerols are formed biochemically via release of a fatty acid from diacylglycerol by diacylglycerol lipase or hormone sensitive lipase. Monoacylglycerols are broken down by monoacylglycerol lipase. They tend to be minor components only of most plant and animal tissues, and indeed would not be expected to accumulate because their strong detergent properties would have a disruptive effect on membranes. 2-Monoacylglycerols are a major end product of the intestinal digestion of dietary fats in animals via the enzyme pancreatic lipase. They are taken up directly by the intestinal cells and converted to triacylglycerols via the monoacylglycerol pathway before being transported in lymph to the liver. Mono- and Diglycerides are commonly added to commercial food products in small quantities. They act as emulsifiers, helping to mix ingredients such as oil and water that would not otherwise blend well. [HMDB] MG(0:0/22:2(13Z,16Z)/0:0) is a monoacylglyceride. A monoglyceride, more correctly known as a monoacylglycerol, is a glyceride consisting of one fatty acid chain covalently bonded to a glycerol molecule through an ester linkage. Monoacylglycerol can be broadly divided into two groups; 1-monoacylglycerols (or 3-monoacylglycerols) and 2-monoacylglycerols, depending on the position of the ester bond on the glycerol moiety. Normally the 1-/3-isomers are not distinguished from each other and are termed alpha-monoacylglycerols, while the 2-isomers are beta-monoacylglycerols. Monoacylglycerols are formed biochemically via release of a fatty acid from diacylglycerol by diacylglycerol lipase or hormone sensitive lipase. Monoacylglycerols are broken down by monoacylglycerol lipase. They tend to be minor components only of most plant and animal tissues, and indeed would not be expected to accumulate because their strong detergent properties would have a disruptive effect on membranes. 2-Monoacylglycerols are a major end product of the intestinal digestion of dietary fats in animals via the enzyme pancreatic lipase. They are taken up directly by the intestinal cells and converted to triacylglycerols via the monoacylglycerol pathway before being transported in lymph to the liver. Mono- and Diglycerides are commonly added to commercial food products in small quantities. They act as emulsifiers, helping to mix ingredients such as oil and water that would not otherwise blend well.
MG(22:2(13Z,16Z)/0:0/0:0)
MG(22:2(13Z,16Z)/0:0/0:0) is a monoacylglyceride. A monoglyceride, more correctly known as a monoacylglycerol, is a glyceride consisting of one fatty acid chain covalently bonded to a glycerol molecule through an ester linkage. Monoacylglycerol can be broadly divided into two groups; 1-monoacylglycerols (or 3-monoacylglycerols) and 2-monoacylglycerols, depending on the position of the ester bond on the glycerol moiety. Normally the 1-/3-isomers are not distinguished from each other and are termed alpha-monoacylglycerols, while the 2-isomers are beta-monoacylglycerols. Monoacylglycerols are formed biochemically via release of a fatty acid from diacylglycerol by diacylglycerol lipase or hormone sensitive lipase. Monoacylglycerols are broken down by monoacylglycerol lipase. They tend to be minor components only of most plant and animal tissues, and indeed would not be expected to accumulate because their strong detergent properties would have a disruptive effect on membranes. 2-Monoacylglycerols are a major end product of the intestinal digestion of dietary fats in animals via the enzyme pancreatic lipase. They are taken up directly by the intestinal cells and converted to triacylglycerols via the monoacylglycerol pathway before being transported in lymph to the liver. Mono- and Diglycerides are commonly added to commercial food products in small quantities. They act as emulsifiers, helping to mix ingredients such as oil and water that would not otherwise blend well. [HMDB] MG(22:2(13Z,16Z)/0:0/0:0) is a monoacylglyceride. A monoglyceride, more correctly known as a monoacylglycerol, is a glyceride consisting of one fatty acid chain covalently bonded to a glycerol molecule through an ester linkage. Monoacylglycerol can be broadly divided into two groups; 1-monoacylglycerols (or 3-monoacylglycerols) and 2-monoacylglycerols, depending on the position of the ester bond on the glycerol moiety. Normally the 1-/3-isomers are not distinguished from each other and are termed alpha-monoacylglycerols, while the 2-isomers are beta-monoacylglycerols. Monoacylglycerols are formed biochemically via release of a fatty acid from diacylglycerol by diacylglycerol lipase or hormone sensitive lipase. Monoacylglycerols are broken down by monoacylglycerol lipase. They tend to be minor components only of most plant and animal tissues, and indeed would not be expected to accumulate because their strong detergent properties would have a disruptive effect on membranes. 2-Monoacylglycerols are a major end product of the intestinal digestion of dietary fats in animals via the enzyme pancreatic lipase. They are taken up directly by the intestinal cells and converted to triacylglycerols via the monoacylglycerol pathway before being transported in lymph to the liver. Mono- and Diglycerides are commonly added to commercial food products in small quantities. They act as emulsifiers, helping to mix ingredients such as oil and water that would not otherwise blend well.
(6alpha,22E)-6-Hydroxy-4,7,22-ergostatrien-3-one
(6beta,22E)-6-Hydroxy-4,7,22-ergostatrien-3-one is found in mushrooms. (6beta,22E)-6-Hydroxy-4,7,22-ergostatrien-3-one is a metabolite of Ganoderma lucidum (reishi).
N-Oleoyl Glutamine
N-oleoyl glutamine belongs to the class of compounds known as N-acylamides. These are molecules characterized by a fatty acyl group linked to a primary amine by an amide bond. More specifically, it is an Oleic acid amide of Glutamine. It is believed that there are more than 800 types of N-acylamides in the human body. N-acylamides fall into several categories: amino acid conjugates (e.g., those acyl amides conjugated with amino acids), neurotransmitter conjugates (e.g., those acylamides conjugated with neurotransmitters), ethanolamine conjugates (e.g., those acylamides conjugated to ethanolamine), and taurine conjugates (e.g., those acyamides conjugated to taurine). N-Oleoyl Glutamine is an amino acid conjugate. N-acylamides can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain N-acylamides; 2) medium-chain N-acylamides; 3) long-chain N-acylamides; and 4) very long-chain N-acylamides; 5) hydroxy N-acylamides; 6) branched chain N-acylamides; 7) unsaturated N-acylamides; 8) dicarboxylic N-acylamides and 9) miscellaneous N-acylamides. N-Oleoyl Glutamine is therefore classified as a long chain N-acylamide. N-acyl amides have a variety of signaling functions in physiology, including in cardiovascular activity, metabolic homeostasis, memory, cognition, pain, motor control and others (PMID: 15655504). N-acyl amides have also been shown to play a role in cell migration, inflammation and certain pathological conditions such as diabetes, cancer, neurodegenerative disease, and obesity (PMID: 23144998; PMID: 25136293; PMID: 28854168).N-acyl amides can be synthesized both endogenously and by gut microbiota (PMID: 28854168). N-acylamides can be biosynthesized via different routes, depending on the parent amine group. N-acyl ethanolamines (NAEs) are formed via the hydrolysis of an unusual phospholipid precursor, N-acyl-phosphatidylethanolamine (NAPE), by a specific phospholipase D. N-acyl amino acids are synthesized via a circulating peptidase M20 domain containing 1 (PM20D1), which can catalyze the bidirectional the condensation and hydrolysis of a variety of N-acyl amino acids. The degradation of N-acylamides is largely mediated by an enzyme called fatty acid amide hydrolase (FAAH), which catalyzes the hydrolysis of N-acylamides into fatty acids and the biogenic amines. Many N-acylamides are involved in lipid signaling system through interactions with transient receptor potential channels (TRP). TRP channel proteins interact with N-acyl amides such as N-arachidonoyl ethanolamide (Anandamide), N-arachidonoyl dopamine and others in an opportunistic fashion (PMID: 23178153). This signaling system has been shown to play a role in the physiological processes involved in inflammation (PMID: 25136293). Other N-acyl amides, including N-oleoyl-glutamine, have also been characterized as TRP channel antagonists (PMID: 29967167). N-acylamides have also been shown to have G-protein-coupled receptors (GPCRs) binding activity (PMID: 28854168). The study of N-acylamides is an active area of research and it is likely that many novel N-acylamides will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered for these molecules.
(2R)-2,5,8-Trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-ol
(2R)-2,7,8-Trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-ol
2-Pyridinemethanamine, N-((4-(1,4,8,11-tetraazacyclotetradec-1-ylmethyl)phenyl)methyl)-
2,4-Methylene cholesterol
2,4-methylene cholesterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 2,4-methylene cholesterol can be found in a number of food items such as cucumber, french plantain, muskmelon, and corn, which makes 2,4-methylene cholesterol a potential biomarker for the consumption of these food products.
25(27)-Dehydrochondrillasterol
25(27)-dehydrochondrillasterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 25(27)-dehydrochondrillasterol can be found in cucumber, muskmelon, and watermelon, which makes 25(27)-dehydrochondrillasterol a potential biomarker for the consumption of these food products.
25(27)-Dehydroporiferasterol
25(27)-dehydroporiferasterol belongs to stigmastanes and derivatives class of compounds. Those are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24. 25(27)-dehydroporiferasterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 25(27)-dehydroporiferasterol can be found in cucumber, muskmelon, and watermelon, which makes 25(27)-dehydroporiferasterol a potential biomarker for the consumption of these food products.
Stigmasta-4-22-dien-3-one
Stigmasta-4-22-dien-3-one belongs to stigmastanes and derivatives class of compounds. Those are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24. Stigmasta-4-22-dien-3-one is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Stigmasta-4-22-dien-3-one can be found in soy bean, which makes stigmasta-4-22-dien-3-one a potential biomarker for the consumption of this food product.
5alpha-Stigmasta-7,22,25-trien-3beta-ol
5alpha-stigmasta-7,22,25-trien-3beta-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 5alpha-stigmasta-7,22,25-trien-3beta-ol can be found in bitter gourd, which makes 5alpha-stigmasta-7,22,25-trien-3beta-ol a potential biomarker for the consumption of this food product.
Elasterol
Elasterol belongs to stigmastanes and derivatives class of compounds. Those are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24. Elasterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Elasterol can be found in bitter gourd, which makes elasterol a potential biomarker for the consumption of this food product.
14-demethyllanosterol
14-demethyllanosterol belongs to cholesterols and derivatives class of compounds. Those are compounds containing a 3-hydroxylated cholestane core. 14-demethyllanosterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 14-demethyllanosterol can be found in a number of food items such as carrot, garland chrysanthemum, shea tree, and black elderberry, which makes 14-demethyllanosterol a potential biomarker for the consumption of these food products.
4alpha-methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol
4alpha-methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol 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. 4alpha-methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 4alpha-methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol can be found in a number of food items such as loganberry, cardamom, pineapple, and sweet cherry, which makes 4alpha-methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol a potential biomarker for the consumption of these food products.
avenastenone
Avenastenone belongs to stigmastanes and derivatives class of compounds. Those are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24. Avenastenone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Avenastenone can be found in a number of food items such as alaska blueberry, longan, feijoa, and giant butterbur, which makes avenastenone a potential biomarker for the consumption of these food products.
28-Demethyl-β-amyrone
28-Demethyl-beta-amyrone is a natural product found in Pistacia lentiscus with data available.
STIGMASTADIENONE
Stigmasta-4,22-dien-3-one is a steroid. It derives from a hydride of a stigmastane. Stigmasta-4,22-dien-3-one is a natural product found in Magnolia kachirachirai, Conium maculatum, and other organisms with data available.
Stigmasta-4,6-dien-3-one
Phi-taraxastene|Taraxast-20-en|Taraxast-20-en; Psi-Taraxasten|taraxast-20-ene|Taraxasten-(20)
(22E,24R)-stigmasta-1,4-dien-3-one|24-ethylcholesta-1,4-dien-3-one|stigmast-1,4-dien-3-one
24-ethylcholesta-4,24(28)-dien-3-one|4,E-24(28)-Stigmastadien-3-on|E-Stigmasta-4,24(28)-dien-3-on
(3beta,5alpha,24Z)-form-Stigmasta-8,14,24(28)-trien-3-ol
(6aS)-10t-Hydroxy-2.2.6ar.6bt.9.9.12at-heptamethyl-(8acH.12bcH)-Delta4a(14b).14-octadecahydro-picen|28-Nor-olean-12,17-dien-3beta-ol|28-nor-oleana-12,17-dien-3beta-ol|28-Nor-oleanadien-(12.17)-ol-(3beta)|28-Noroleana-12,17-dien-3beta-ol od. Aegiceradienol|aegiceradienol|Aegiceradienol, Genin A
Squalene
Squalene, also known as (e,e,e,e)-squalene or all-trans-squalene, is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Squalene can be found in a number of food items such as apricot, savoy cabbage, peach (variety), and bitter gourd, which makes squalene a potential biomarker for the consumption of these food products. Squalene can be found primarily in blood, feces, and sweat, as well as throughout most human tissues. In humans, squalene is involved in several metabolic pathways, some of which include risedronate action pathway, steroid biosynthesis, alendronate action pathway, and fluvastatin action pathway. Squalene is also involved in several metabolic disorders, some of which include cholesteryl ester storage disease, CHILD syndrome, hyper-igd syndrome, and wolman disease. Squalene is a natural 30-carbon organic compound originally obtained for commercial purposes primarily from shark liver oil (hence its name, as Squalus is a genus of sharks), although plant sources (primarily vegetable oils) are now used as well, including amaranth seed, rice bran, wheat germ, and olives. Yeast cells have been genetically engineered to produce commercially useful quantities of "synthetic" squalene . COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Window width to select the precursor ion was 3 Da.; CONE_VOLTAGE was 20 V.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan. Squalene is an intermediate product in the synthesis of cholesterol, and shows several pharmacological properties such as hypolipidemic, hepatoprotective, cardioprotective, antioxidant, and antitoxicant activity. Squalene also has anti-fungal activity and can be used for the research of Trichophyton mentagrophytes research[2]. Squalene is an intermediate product in the synthesis of cholesterol, and shows several pharmacological properties such as hypolipidemic, hepatoprotective, cardioprotective, antioxidant, and antitoxicant activity. Squalene also has anti-fungal activity and can be used for the research of Trichophyton mentagrophytes research[2].
(22E,24R)-24,26-dimethylcholesta-5,22,25(27)-trien-3beta-ol
2,2,4a,6a,8a,9,12b,14a-Octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,12,12a,12b,13,14,14a,14b-eicosahydropicene
(all-E)-2,6,10,14,19,23-hexamethyl-tetracosa-2,6,10,14,18,22-hexaene|(E,E,E,E)-2,6,10,14,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene|2,6,10,14,19,23-Hexamethyl-tetracosa-2,6,10,14,18,22-hexaen|2,6,10,14,19,23-hexamethyl-tetracosa-2,6,10,14,18,22-hexaene|Isosqualen|isosqualene
24-Ethyl-cholestadien-4,24-on-3|stigmasta-4,24(25)-dien-3-one|Stigmasta-4,24-dien-3-one,
13betaH-14,17,21-Malabaricatriene|13??H-Malabaricatriene
B:A-Neo-gammacer-13(18)-en|B:A-neo-gammacer-13(18)-ene|neohop-13(18)-ene
5-Dehydroavenasterol
5-Dehydroavenasterol belongs to the class of organic compounds known as stigmastanes and derivatives. These are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24. Thus, 5-dehydroavenasterol is considered to be a sterol lipid molecule. 5-Dehydroavenasterol is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 5-Dehydroavenasterol is an intermediate in the biosynthesis of steroids. It is the third to last step in the synthesis of stigmasterol and is converted from delta 7-avenasterol via the enzyme lathosterol oxidase (EC 1.14.21.6). It is then converted into Isofucosterol via the enzyme 7-dehydrocholesterol reductase (EC 1.3.1.21). 5-Dehydroavenasterol is an intermediate in the biosynthesis of steroids (KEGG ID C15783). It is the third to last step in the synthesis of Stigmasterol and is converted from delta 7-Avenasterol via the enzyme lathosterol oxidase [EC:1.14.21.6]. It is then converted to Isofucosterol via the enzyme 7-dehydrocholesterol reductase [EC:1.3.1.21]. [HMDB]. 5-Dehydroavenasterol is found in many foods, some of which are daikon radish, nance, skunk currant, and jujube.
(+)-gamma-polypodatetraene|7, 13, 17, 21-Polypodatetraene|gamma-polypodatetraene|polypoda-7,13,17,21-tetraene
(22E,24Z)-5alpha-stigmasta-7,22,24(24)-trien-3beta-ol|alpha-spinasterol
3-Friedelene|Delta3-Friedelen|friedel-3(4)-ene|Friedel-3-en|friedel-3-ene|friedelan-3-ene|Friedelen-(3)|friedelene-(3)
24-exomethylenecalicoferol E|24-exomethylenwcalicoferol E|24-methylenecalicoferol E
(24R)-stigmasta-3,5-dien-7-one|3,5-stigmadien-7-one|7-Oxostigmast-3,5-diene|stigmasta-3,5-dien-7-one|Stigmastadien-(3.5)-on-(7)|stigmastadien-(3.5)-one-(7)|tremulone
alpha-Polypodatetraene|polypoda-8(26),13,17,21-tetraene|??-Polypodatetraene
(20S)-20-hydroxyergosta-1,4,24(28)-trien-3-one|methyl (20S)-20-hydroxyergosta-1,4,24(28)-trien-3-one
(18S)-dammara-13(17),21-diene|(20R)-dammara-13(17),24-diene|dammara-13(17),21-diene|Dammara-13(17),24-dien|dammara-13(17),24-diene
26-nor-25-isopropyl-ergosta-5,7,22E-trien-3beta-ol
1-(2-furyl)pentacosa-7,9-diyne|2-pentacosa-7,9-diynylfuran
(24R)-20,28-cyclo-stigmasta-5,9(11)-dien-3alpha-ol|3-epi-lappasterol
(6E,10E,14E,18E)-squalene|(all-E)-2,6,10,14,18,23-hexamethyl-tetracosa-2,6,10,14,18,22-hexaene|Squalen|squalene
(22E,24R)-ergosta-7,22-dien-3,6-dione|(22E,24R)-ergosta-7,22-diene-3,6-dione|cyathisterone
4alpha,14alpha-dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3-one
gamma-Tocotrienol
gamma-Tocotrienol, also known as 7,8-dimethyltocotrienol, belongs to the class of organic compounds known as tocotrienols. These are vitamin E derivatives containing an unsaturated trimethyltrideca-3,7,11-trien-1-yl chain attached to the C6 atom of a benzopyran ring system. They differ from tocopherols that contain a saturated trimethyltridecyl chain. Thus, gamma-tocotrienol is considered to be a quinone lipid molecule. gamma-Tocotrienol is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. gamma-Tocotrienol targets cancer cells by inhibiting Id1, a key cancer-promoting protein. gamma-Tocotrienol was shown to trigger cell apoptosis and well as anti-proliferation of cancer cells. This mechanism was also observed in separate prostate cancer and melanoma cell line studies. Gamma-tocotrienol is a tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2, 7 and 8 and a farnesyl chain at position 2. A vitamin E family member that has potent anti-cancer properties against a wide-range of cancers. It has a role as an antioxidant, an antineoplastic agent, a plant metabolite, a radiation protective agent, an apoptosis inducer and a hepatoprotective agent. It is a tocotrienol and a vitamin E. gamma-Tocotrienol is a natural product found in Amaranthus cruentus, Triadica sebifera, and other organisms with data available. A tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2, 7 and 8 and a farnesyl chain at position 2. A vitamin E family member that has potent anti-cancer properties against a wide-range of cancers. Constituent of palm oil. Nutriceutical with anticancer props. and a positive influence on the blood lipid profile. gamma-Tocotrienol is found in many foods, some of which are rye, corn, rosemary, and common grape. γ-Tocotrienol is an active form of vitamin E. γ-tocotrienol reverses the multidrug resistance (MDR) of breast cancer cells through the signaling pathway of NF-κB and P-gp. γ-Tocotrienol is also a novel radioprotector agent, can mitigate bone marrow radiation damage during targeted radionuclide treatment[1][2][3]. γ-Tocotrienol is an active form of vitamin E. γ-tocotrienol reverses the multidrug resistance (MDR) of breast cancer cells through the signaling pathway of NF-κB and P-gp. γ-Tocotrienol is also a novel radioprotector agent, can mitigate bone marrow radiation damage during targeted radionuclide treatment[1][2][3].
ST 29:3;O
A 3beta-sterol that is methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol carrying an additional 4alpha-methyl substituent. Stigmasta-7,22E,25-trien-3beta-ol is a steroid. It derives from a hydride of a stigmastane.
γ-Tocotrienol
γ-Tocotrienol is an active form of vitamin E. γ-tocotrienol reverses the multidrug resistance (MDR) of breast cancer cells through the signaling pathway of NF-κB and P-gp. γ-Tocotrienol is also a novel radioprotector agent, can mitigate bone marrow radiation damage during targeted radionuclide treatment[1][2][3]. γ-Tocotrienol is an active form of vitamin E. γ-tocotrienol reverses the multidrug resistance (MDR) of breast cancer cells through the signaling pathway of NF-κB and P-gp. γ-Tocotrienol is also a novel radioprotector agent, can mitigate bone marrow radiation damage during targeted radionuclide treatment[1][2][3].
C30:6 Highly branched isoprenoid A
C30:6 Highly branched isoprenoid B
C30:5 Monocyclic highly branched isoprenoid A
3beta-Hydroxy-(22E,24R)-ergosta-5,8,22-trien-7-one
28-Norcyclomusalenone
(4alpha,5alpha)-4,14-Dimethyl-9,19-cyclocholest-20-en-3-one
ethylbenzylamine
(3beta,5alpha,22E,24S)-Stigmasta-7,22,25-trien-3-ol
(3beta,22E,24R)-23-Methylergosta-5,7,22-trien-3-ol
(6alpha,22E)-6-Hydroxy-4,7,22-ergostatrien-3-one
2,6,10,15,19,23-Hexamethyl-2,6E,10E,14E,18Z,22-tetracosahexaene
(3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-ylidene-2,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysene
CHEBI:33277
γ-Tocotrienol is an active form of vitamin E. γ-tocotrienol reverses the multidrug resistance (MDR) of breast cancer cells through the signaling pathway of NF-κB and P-gp. γ-Tocotrienol is also a novel radioprotector agent, can mitigate bone marrow radiation damage during targeted radionuclide treatment[1][2][3]. γ-Tocotrienol is an active form of vitamin E. γ-tocotrienol reverses the multidrug resistance (MDR) of breast cancer cells through the signaling pathway of NF-κB and P-gp. γ-Tocotrienol is also a novel radioprotector agent, can mitigate bone marrow radiation damage during targeted radionuclide treatment[1][2][3].
4alpha-methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol
4alpha-methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol 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. 4alpha-methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 4alpha-methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol can be found in a number of food items such as loganberry, cardamom, pineapple, and sweet cherry, which makes 4alpha-methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol a potential biomarker for the consumption of these food products. 4α-methyl-5α-ergosta-8,14,24(28)-trien-3β-ol 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. 4α-methyl-5α-ergosta-8,14,24(28)-trien-3β-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 4α-methyl-5α-ergosta-8,14,24(28)-trien-3β-ol can be found in a number of food items such as loganberry, cardamom, pineapple, and sweet cherry, which makes 4α-methyl-5α-ergosta-8,14,24(28)-trien-3β-ol a potential biomarker for the consumption of these food products.
(2R)-2,7,8-Trimethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-ol
4,22-Stigmastadiene-3-one
(6E,11E,16E)-10-ethenyl-2,6,10,13,17,21-hexamethyldocosa-2,6,11,16,20-pentaene
4beta,14alpha-Dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3-one
3-[(3S)-3,4-dimethyloxolan-2-yl]butyl hexadecanoate
3,4-Dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-2H-1-benzopyran-6-ol
5-amino-2-[[(E)-octadec-9-enoyl]amino]-5-oxopentanoic acid
[(11E,14E)-2-(carboxymethyl)-2-hydroxyicosa-11,14-dienyl]-trimethylazanium
[(3E,5E)-2-(carboxymethyl)-2-hydroxyicosa-3,5-dienyl]-trimethylazanium
10,13-dimethyl-17-[(Z)-5-propan-2-ylhept-5-en-2-yl]-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
(3S,10R,13R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
24-Ethylcholesta-4,22-dien-3-one
A 3-oxo steroid that is cholesta-4,22-dien-3-one substituted by an oxo group at position 3. It has been isolated from Croton gratissimus.
(22E,24R)-ergosta-7,22-diene-3,6-dione
A 3-oxo Delta(7)-steroid that is (22E)-ergosta-7,22-diene substituted by oxo groups at positions 3 and 6. It has been isolated from Penicillium commune.
1,2-Cyclohexanedicarboxylic acid, nonyl 4-octyl ester
[3-carboxy-2-[(11E,14E)-heptadeca-11,14-dienoyl]oxypropyl]-trimethylazanium
26-Oxohexacosanoic acid
The omega-oxo fatty acid obtained by oxygenation at position 26 of hexacosanoic acid.
(2S)-6-amino-2-[[(Z)-octadec-9-enoyl]amino]hexanoic acid
[1-[(9Z,12Z)-hexadeca-9,12-dienoxy]-3-hydroxypropan-2-yl] hexanoate
[1-hydroxy-3-[(11Z,14Z)-icosa-11,14-dienoxy]propan-2-yl] acetate
[1-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propan-2-yl] butanoate
[1-hydroxy-3-[(9Z,12Z)-nonadeca-9,12-dienoxy]propan-2-yl] propanoate
[1-[(9Z,12Z)-heptadeca-9,12-dienoxy]-3-hydroxypropan-2-yl] pentanoate
2,3-dihydroxypropyl (13Z,16Z)-docosa-13,16-dienoate
(7Z,10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-7,10,13,16,19,22,25-heptaenoic acid
[(2S)-2,3-dihydroxypropyl] (13E,16E)-docosa-13,16-dienoate
e-Tokoferol
A tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2, 5 and 8 and a farnesyl chain at position 2. It has been isolated from various cultivars of wheat.
(3beta,22E,24R)-3-Hydroxyergosta-5,8,22-trien-7-one
5-Dehydroavenasterol
hop-17(21)-ene
A triterpene consisting of hopane having a C=C double bond at the 17(21)-position.
3-oxohexacosanoic acid
A very lon-chain fatty acid that is hexacosanoic acid carrying a beta-oxo substituent.
hop-21(22)-ene
A triterpene consisting of hopane having a C=C double bond at the 21-position.
(1s,6s,11s,12s,15s,16s,21s)-1,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.0³,¹².0⁶,¹¹.0¹⁶,²¹]tricos-3-ene
(3r,3ar,5as,7as,11as,13as,13br)-3-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-1h,2h,3h,4h,5h,6h,7h,7ah,9h,10h,11h,12h,13h,13bh-cyclopenta[a]chrysene
(6e,10e,14e,17r,18z)-18-ethylidene-2,6,10,15,17,21-hexamethyldocosa-2,6,10,14,20-pentaene
(1r,3ar,5as,7s,9as,9bs,11ar)-1-[(2r,3e,5s)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol
(4as,8as)-5-{2-[(4as,8as)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl}-1,1,4a,6-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalene
(1s,3r,8s,11s,12s,15r,16r)-12,16-dimethyl-15-[(2r)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one
(1r,3as,5as,9as,9br,11ar)-1-[(2s,3e,5s)-5-ethyl-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
(1s,3as,3bs,9ar,9bs,11as)-1-[(2s)-2-hydroxy-6-methyl-5-methylideneheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
4,4a,8a,11,11,12b,14a-heptamethyl-1,2,4,5,6,6a,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-one
(2s)-6-methoxy-2,8-dimethyl-2-[(3e,7e)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-1-benzopyran
(3r,5as,9as,9br)-3-[(2s,5e)-6,10-dimethylundeca-5,9-dien-2-yl]-3,6,6,9a-tetramethyl-1h,2h,5h,5ah,7h,8h,9h,9bh-cyclopenta[a]naphthalene
1-(5-ethyl-6-methylhept-4-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol
(4ar,6br,8as,12as,12br,14as,14br)-2,2,4a,6b,9,9,12a,14a-octamethyl-1,3,4,5,7,8,8a,10,11,12,12b,13,14,14b-tetradecahydropicene
(6e,14e,18e)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
(3s,4s)-1-methyl-4-(prop-1-en-2-yl)-3-[(3s,7s,10e)-3,7,11,15-tetramethylhexadeca-1,10,14-trien-7-yl]cyclohex-1-ene
5'-isopropyl-2',3a,6,6,9a,11a-hexamethyl-2,3,3b,4,5,5a,7,8,9,9b,10,11-dodecahydrospiro[cyclopenta[a]phenanthrene-1,1'-cyclopentan]-2'-ene
18-ethylidene-2,6,10,15,17,21-hexamethyldocosa-2,6,10,14,20-pentaene
(1r,3as,3bs,9ar,9bs,11ar)-1-[(2r,3z,5s)-5-ethyl-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
5-[2-(2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)ethyl]-1,1,4a,6-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalene
(7s,9ar,11ar)-1-[(3e)-5-ethyl-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol
7,7,13,16-tetramethyl-15-(6-methylhept-5-en-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane
(3ar,5ar,5br,7as,11as,11br,13ar,13bs)-5a,5b,8,8,11a,13b-hexamethyl-3-(propan-2-ylidene)-tetradecahydro-1h-cyclopenta[a]chrysene
(1r,3ar,5as,7s,9as,9br,11ar)-9a,11a-dimethyl-1-[(2s)-5,5,6-trimethylhept-3-yn-2-yl]-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol
(1r,5r,6r,9s,10s,13s,15r)-6-[(2r,3e,5s)-5,6-dimethylhept-3-en-2-yl]-5,9-dimethylpentacyclo[11.4.1.0¹,¹³.0²,¹⁰.0⁵,⁹]octadec-2-en-15-ol
1-(5-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
5-[2-(2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)ethyl]-1,1,4a,6-tetramethyl-2,3,4,5,8,8a-hexahydronaphthalene
(1r,7s,9as,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-4-one
1-(5-isopropylhept-5-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
(1r,3as,3br,7s,9ar,9bs,11ar)-1-[(2r,3e,5s)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol
5-[2-(5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl)ethyl]-1,1,4a,6-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalene
5-[2-(5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl)ethyl]-1,1,4a,6-tetramethyl-2,3,4,5,8,8a-hexahydronaphthalene
3,3,5-trimethyl-4-[(3e,7e,11e)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraen-1-yl]cyclohex-1-ene
(1r,3ar,3br,9ar,9br,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-3b-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
(1r,3as,3bs,7s,9ar,9bs,11ar)-1-[(2r,3e,5s)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol
5-[2-(2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)ethyl]-1,1,4a,6-tetramethyl-2,3,4,5,8,8a-hexahydronaphthalene
(6e,10e,13e,14r)-2,6,10,14,18-pentamethyl-13-[(3s)-3-methylpent-4-en-1-ylidene]nonadeca-2,6,10,17-tetraene
1,1,4a-trimethyl-6-methylidene-5-(4,8,12-trimethyltrideca-3,7,11-trien-1-yl)-hexahydro-2h-naphthalene
12,16-dimethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one
(1r,3as,3bs,7s,9ar,9bs,11ar)-1-[(2r,3e,5r)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol
(1r,3ar,5as,7s,9as,11ar)-1-[(2r,5r)-5,6-dimethylhept-3-en-2-yl]-3a,9a,11a-trimethyl-1h,2h,3h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-ol
1-(5-isopropylhept-5-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol
(1s,3ar,3br,5as,9as,9bs,11as)-3a,5a,6,9b,11a-pentamethyl-1-[(2s)-6-methylhept-5-en-2-yl]-1h,2h,3h,3bh,4h,5h,8h,9h,9ah,10h,11h-cyclopenta[a]phenanthrene
3-isopropyl-3a,5a,5b,8,8,11a-hexamethyl-1h,2h,3h,4h,5h,6h,7h,7ah,9h,10h,11h,11bh,12h,13bh-cyclopenta[a]chrysene
(1s,3as,5as,9as,9bs,11ar)-1-(5-ethyl-6-methylhept-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
4,4,6a,6b,11,11,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,12,14,14a-dodecahydro-1h-picen-3-ol
12-neohopene
{"Ingredient_id": "HBIN000908","Ingredient_name": "12-neohopene","Alias": "NA","Ingredient_formula": "C30H50","Ingredient_Smile": "CC(C)C1CCC2C1(CCC3(C2=CCC4C3(CCC5C4(CCCC5(C)C)C)C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "15398","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
13αh-malabaricatriene
{"Ingredient_id": "HBIN001130","Ingredient_name": "13\u03b1h-malabaricatriene","Alias": "NA","Ingredient_formula": "C30H50","Ingredient_Smile": "CC(=CCCC(=CCCC(=C)C1CCC2C1(CCC3C2(CCCC3(C)C)C)C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13406","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
13alphah(or 13beta-h)-malabaricatriene
{"Ingredient_id": "HBIN001131","Ingredient_name": "13alphah(or 13beta-h)-malabaricatriene","Alias": "NA","Ingredient_formula": "C30H50","Ingredient_Smile": "CC(=CCCC(=CCCC(=C)C1CCC2C1(CCC3C2(CCCC3(C)C)C)C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31479","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
13βh-malabaricatriene
{"Ingredient_id": "HBIN001138","Ingredient_name": "13\u03b2h-malabaricatriene","Alias": "NA","Ingredient_formula": "C30H50","Ingredient_Smile": "CC(=CCCC(=CCCC(=C)C1CCC2C1(CCC3C2(CCCC3(C)C)C)C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13407","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(22e,24r)-stigmasta-1,4-dien-3-one
{"Ingredient_id": "HBIN003721","Ingredient_name": "(22e,24r)-stigmasta-1,4-dien-3-one","Alias": "NA","Ingredient_formula": "C29H46O","Ingredient_Smile": "CCC(CCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)C=CC34C)C)C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "20332","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(24s)-ethylcholesta-5,22,25-trien-3β-ol
{"Ingredient_id": "HBIN004538","Ingredient_name": "(24s)-ethylcholesta-5,22,25-trien-3\u03b2-ol","Alias": "NA","Ingredient_formula": "C29H46O","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7427","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6β-hydroxyergosta-4,7,22-trien-3-one
{"Ingredient_id": "HBIN012274","Ingredient_name": "6\u03b2-hydroxyergosta-4,7,22-trien-3-one","Alias": "NA","Ingredient_formula": "C28H42O2","Ingredient_Smile": "NA","Ingredient_weight": "410.63","OB_score": "25.38516555","CAS_id": "68378-35-8","SymMap_id": "SMIT12077","TCMID_id": "NA","TCMSP_id": "MOL011142","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
{"Ingredient_id": "HBIN013903","Ingredient_name": "(8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one","Alias": "(8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one; (8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one; (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one","Ingredient_formula": "C29H46O","Ingredient_Smile": "NA","Ingredient_weight": "410.67","OB_score": "43.86720862","CAS_id": "2034-72-2","SymMap_id": "SMIT12341","TCMID_id": "NA","TCMSP_id": "MOL011442","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
