Exact Mass: 432.3482
Exact Mass Matches: 432.3482
Found 493 metabolites which its exact mass value is equals to given mass value 432.3482,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Digin
Gitogenin is a triterpenoid. Gitogenin is a natural product found in Yucca gloriosa, Allium rotundum, and other organisms with data available. Gitogenin is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Gitogenin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Gitogenin can be found in fenugreek, which makes gitogenin a potential biomarker for the consumption of this food product. Gitogenin is a natural steroid isolated from the whole plant of Tribulus longipetalus. Gitogenin is a selective inhibitor of UDP-glucuronosyltransferase 1A4 (UGT1A4) and enzyme α-glucosidase with IC50 values of 0.69 μM (use trifluoperazine as a substrate) and 37.2 μM, respectively, and does not inhibit the activities of major human cytochrome P450 isoforms[1][2]. Gitogenin is a natural steroid isolated from the whole plant of Tribulus longipetalus. Gitogenin is a selective inhibitor of UDP-glucuronosyltransferase 1A4 (UGT1A4) and enzyme α-glucosidase with IC50 values of 0.69 μM (use trifluoperazine as a substrate) and 37.2 μM, respectively, and does not inhibit the activities of major human cytochrome P450 isoforms[1][2].
beta-Citraurin
Constituent of orange peel. beta-Citraurin is found in many foods, some of which are yellow bell pepper, passion fruit, pepper (c. annuum), and sweet orange. beta-Citraurin is found in citrus. beta-Citraurin is a constituent of orange peel D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
4,4-Diaponeurosporenic acid
3beta,7alpha-Dihydroxy-5-cholestenoate
3beta,7alpha-Dihydroxy-5-cholestenoate is found in the primary bile acid biosynthesis pathway. It is created from 3beta-Hydroxy-5-cholestenoate through the action of CYP7B (E1.14.13.100). 3beta,7alpha-Dihydroxy-5-cholestenoate is then converted into 7alpha-Hydroxy-3-oxo-4-cholestenoate by the action of HSD3B7 (EC:1.1.1.181).
24-Hydroxycalcitriol
24-Hydroxycalcitriol stimulates intestinal calcium transport but not bone calcium mobilization or phosphate transport reactions. (PMID: 163578). Vitamin D-24-hydroxylase (24-OHase) is a cytochrome P-450 enzyme that catalyzes the conversion of 1alpha,25-dihydroxyvitamin D3 [1,25-(OH)2D3] to 24-Hydroxycalcitriol (1,24,25-trihydroxyvitamin D3). (PMID: 9165006). The administration of 24-Hydroxycalcitriol at doses of 0.2 and 0.3 microg/kg/day produced strong anabolic effects, especially on vertebral cancellous bone that can prevent estrogen depletion-induced bone loss in ovariectomized (OVX) rats. (PMID: 9115161). 24-Hydroxycalcitriol stimulates intestinal calcium transport but not bone calcium mobilization or phosphate transport reactions. (PMID: 163578)
5-Tricosyl-1,3-benzenediol
Constituent of cereal grains. 5-Tricosyl-1,3-benzenediol is found in many foods, some of which are barley, corn, wheat bread, and pasta. 5-Tricosyl-1,3-benzenediol is found in barley. 5-Tricosyl-1,3-benzenediol is a constituent of cereal grains.
beta-Tocopheryl quinone
beta-Tocopheryl quinone is found in green vegetables. beta-Tocopheryl quinone is isolated from vegetable sources, e.g. spinach chloroplasts (Spinacia oleracea). Isolated from vegetable sources, e.g. spinach chloroplasts (Spinacia oleracea). beta-Tocopheryl quinone is found in green vegetables and spinach.
Rockogenin
Rockogenin is found in green vegetables. Rockogenin is a constituent of the famine food Agave americana.
Neochlorogenin
Aglycone from Solanum torvum (pea eggplant). Neochlorogenin is found in fruits. Neochlorogenin is found in fruits. Aglycone from Solanum torvum (pea eggplant
23S,25,26-Trihydroxyvitamin D3
This compound belongs to the family of Vitamin D and Derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.
gamma-Tocopheryl quinone
gamma-Tocopheryl quinone is found in green vegetables. gamma-Tocopheryl quinone is isolated from vegetable sources, e.g. spinach chloroplasts (Spinacia oleracea). Isolated from vegetable sources, e.g. spinach chloroplasts (Spinacia oleracea). gamma-Tocopheryl quinone is found in green vegetables and spinach.
3-Hydroxy-8'-apo-epsilon-caroten-8'-al
3-Hydroxy-8-apo-epsilon-caroten-8-al is found in fruits. 3-Hydroxy-8-apo-epsilon-caroten-8-al is a constituent of avocado (Persea americana). Constituent of avocado (Persea americana). 3-Hydroxy-8-apo-epsilon-caroten-8-al is found in fruits.
13'-Hydroxy-gamma-tocopherol
13-hydroxy-r-tocopherol is a precursor of dehydrogenation to form 13-Carboxy-gamma-tocopherol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate. r-Tocopherol provides different antioxidant activities in food and in-vitro studies and showed higher activity in trapping lipophilic electrophiles and reactive nitrogen and oxygen species. From the metabolism end product, only that of r-tocopherol (2,7,8-trimethyl-2-(b-carboxyethyl)-6-hydroxychroman), but not that of a-tocopherol, was identified to provide natriuretic activity. Only the r-tocopherol plasma level served as biomarker for cancer and cardiovascular risk. 13-hydroxy-r-tocopherol is a precursor of dehydrogenation to form 13-Carboxy-gama-tocopherol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate
8alpha-Hydroxy-gama-tocopherone
This compound belongs to the family of Diterpenes. These are terpene compounds formed by four isoprene units.
4-cholesten-7α,12α,24-triol-3-one
4-cholesten-7α,12α,24-triol-3-one is considered to be practically insoluble (in water) and relatively neutral. 4-cholesten-7α,12α,24-triol-3-one is a bile acid lipid molecule
7alpha,12alpha,26-trihydroxycholest-4-en-3-one
7alpha,12alpha,26-trihydroxycholest-4-en-3-one is also known as 4-Cholesten-7alpha,12alpha,26-triol-3-one. 7alpha,12alpha,26-trihydroxycholest-4-en-3-one is considered to be practically insoluble (in water) and relatively neutral. 7alpha,12alpha,26-trihydroxycholest-4-en-3-one is a bile acid lipid molecule
1alpha,23(S),25-trihydroxyvitamin D3
1alpha,23(S),25-trihydroxyvitamin D3, also known as 1,23,25-Trihydroxycholecalciferol or 1alpha,23S,25-(OH)3D3, is classified as a vitamin d or a Vitamin D derivative. Vitamin Ds are compounds containing a secosteroid backbone, usually secoergostane or secocholestane. 1alpha,23(S),25-trihydroxyvitamin D3 is considered to be practically insoluble (in water) and relatively neutral. 1alpha,23(S),25-trihydroxyvitamin D3 is a secosteroid lipid molecule D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
3alpha,7beta-dihydroxy-5beta-cholest-24-en-26-oic Acid
3alpha,7beta-dihydroxy-5beta-cholest-24-en-26-oic Acid is also known as 3α,7β-dihydroxy-5β-cholest-24-en-26-Oate. 3alpha,7beta-dihydroxy-5beta-cholest-24-en-26-oic Acid is considered to be practically insoluble (in water) and acidic. 3alpha,7beta-dihydroxy-5beta-cholest-24-en-26-oic Acid is a bile acid lipid molecule
(25R)-3beta,4beta-dihydroxycholest-5-en-26-oate(1-)
(25R)-3beta,4beta-dihydroxycholest-5-en-26-oate(1-) is also known as (25R)-3β,4β-dihydroxycholest-5-en-26-Oic acid. (25R)-3beta,4beta-dihydroxycholest-5-en-26-oate(1-) is considered to be practically insoluble (in water) and acidic
N-Arachidonoyl Glutamine
N-arachidonoyl 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 Arachidonic 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-Arachidonoyl 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-Arachidonoyl 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.
N-Arachidonoyl Lysine
N-arachidonoyl lysine 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 Arachidonic acid amide of Lysine. 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-Arachidonoyl Lysine 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-Arachidonoyl Lysine 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.
(25S)-1alpha,25,26-Trihydroxyvitamin D3/(25S)-1alpha,25S,26-trihydroxycholecalciferol
1,24,25-trihydroxyvitamin D3
Apo-8'-carotenoic Acid
(1R,3R)-5-[(2E)-2-[(3As,7aS)-1-[(1R)-1-[(2S)-3-hydroxy-2,3-dimethylbutoxy]ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol
(1S,3R,5Z)-5-[(2E)-2-[(1R,3As,7aR)-1-[(2R,4S)-4,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Neogitogenin
Gitogenin is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Gitogenin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Gitogenin can be found in fenugreek, which makes gitogenin a potential biomarker for the consumption of this food product.
F-Chlorogenin
F-chlorogenin is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. F-chlorogenin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). F-chlorogenin can be found in soft-necked garlic, which makes F-chlorogenin a potential biomarker for the consumption of this food product.
Stigmastanediol
Stigmastanediol 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. Stigmastanediol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Stigmastanediol can be found in oat, which makes stigmastanediol a potential biomarker for the consumption of this food product.
Polyglycerol esters of fatty acids
It is used as a food additive .
(22R,23R)-22,23-dihydroxycampesterol
(22r,23r)-22,23-dihydroxycampesterol belongs to trihydroxy bile acids, alcohols and derivatives class of compounds. Those are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups (22r,23r)-22,23-dihydroxycampesterol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (22r,23r)-22,23-dihydroxycampesterol can be found in a number of food items such as common thyme, jute, small-leaf linden, and pummelo, which makes (22r,23r)-22,23-dihydroxycampesterol a potential biomarker for the consumption of these food products.
3-dehydro-6-deoxoteasterone
3-dehydro-6-deoxoteasterone belongs to dihydroxy bile acids, alcohols and derivatives class of compounds. Those are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups. 3-dehydro-6-deoxoteasterone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3-dehydro-6-deoxoteasterone can be found in a number of food items such as cucumber, sweet potato, mammee apple, and yam, which makes 3-dehydro-6-deoxoteasterone a potential biomarker for the consumption of these food products.
cathasterone
Cathasterone belongs to dihydroxy bile acids, alcohols and derivatives class of compounds. Those are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups. Cathasterone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Cathasterone can be found in a number of food items such as carrot, prairie turnip, cashew nut, and common pea, which makes cathasterone a potential biomarker for the consumption of these food products.
(22R,25)-epoxycholest-7-ene-2beta,3beta,4beta-triol
3beta,11-dihydroxy-24-methyl-9,11-secocholest-5-en-9-one
20S-thornasterol A|3beta,6alpha,20xi-trihydroxy-5alpha-cholest-9(11)-en-23-one|Thornasterol A
N-(16-amino-4-hydroxy-4,8,13-triazahexadecyl)-1H-indole-3-acetamide
N-(16-amino-9-hydroxy-5,9,13-triazahexadecyl)-1H-indole-3-acetamide
(20S,22S,25S)-5alpha-furostan-22,25-epoxy-3beta,26-diol
(1S*,4S*,5S*,10aR*)-1-((8S*,8aR*)-8,8a-dimethyl-4-oxo-1,4,6,7,8,8a-hexahydronaphthalen-2-yl)-1,4,5,10a-tetramethyl-1,2,3,4,5,6,7,9,10,10a-decahydroanthracen-9-one|(1S*,4S*,5S*,10aR*)-1-<(8S*,8aR*)-8,8a-dimethyl-4-oxo-1,4,6,7,8,8a-hexahydronaphthalen-2-yl>-1,4,5,10a-tetramethyl-1,2,3,4,5,6,7,9,10,10a-decahydroanthracen-9-one
(22R,13R,24R)-22,23-dihydroxy-2beta,3beta-epoxy-24-methyl-5alpha-cholestan-6-one|24-epi-secasterone
4alpha,14-dimethyl-9,19-cyclocholestan-3beta,24alpha,25-triol
(24S)-24-methylcholest-5-en-1alpha,3beta,11alpha-triol
20,32-cyclo-17alpha(H)-bishomohopane-20,22,31-triene
2-(14-tricosenyl)-2,3-dihydro-6-methyl-4h-pyran-4-one
N-(16-amino-5-hydroxy-5,9,13-triazahexadecyl)-1H-indole-3-acetamide
(3beta,5alpha,6beta)-ergost-24(28)-en-3,5,6-triol|24-methylene cholestane-3beta,5alpha,6beta-triol|24-methylenechlestane-3beta,5alpha,6beta-triol|24-methylenecholestane-3beta,5alpha,6beta-triol|cholest-24(24)-ene-3beta,5alpha,6beta-triol|ergost-24(28)-en-3beta,5alpha,6beta-triol|ergost-24(28)-ene-3beta,5alpha,6beta-triol
2-O-[(3R,6S)-3-(acetyloxy)-6-hydroxyoctadecanoyl]glycerol
3alpha,12alpha,16alpha-trihydroxy-24R-methylcholest-22E-ene
3beta,6alpha,11-trihydroxy-9,11-seco-5alpha-cholest-7,24-dien-9-one|subergorgol H
(22E)-3beta,5alpha,6beta-trihydroxycholest-22-en-1-one
(24S)-ergostane-5a,6a-epoxy-3beta,25-diol|zahramycin A
(22E)-3beta,6alpha,11-trihydroxy-9,11-seco-5alpha-cholest-7,22-dien-9-one|subergorgol I
(22E)-5alpha-methoxycholest-22-ene-3beta,6beta-diol|muriflasteroid B
2beta,3beta,6alpha-trihydroxycholest-7-en-23-one|grandol F
(22E)-1beta,3beta,5alpha-trihydroxycholest-22-en-6-one
2beta,3beta,6alpha-trihydroxycholest-8-en-23-one|grandol B
20alphaF-dimethylamino-4beta-hydroxymethyl-4alpha,14-dimethyl-3beta-methylamino-(5alpha)-9beta,19-cyclo-pregnan-16alpha-ol|Cyclorolfeibuxin C|Dihydromicrophyllin-C
(3S,5E,7E,10S)-23,26-Epoxy-9,10-secocholesta-5,7-diene-3,25,26-triol
(24S)-3beta,6alpha,24-trihydroxy-5alpha-cholest-8(14)-en-15-one|certonardosterol Q6
N-(16-amino-4-hydroxy-4,8,12-triazahexadecyl)-1H-indole-3-acetamide
(3beta,22R,24()-Ergost-5-ene-3,22,-25-triol|(3beta,22R,24xi)-Ergost-5-ene-3,22,25-triol|24xi-methylcholest-5-ene-3beta,22(R),25-triol
(3S,5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-3,23,24,25-tetrol
(3S,5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-3,24,25,26-tetrol
2-O-[(3R,7R)-3-(acetyloxy)-7-hydroxyoctadecanoyl]glycerol
3beta,11-dihydroxy-24-methylene-9,11-secocholestan-9-one
(3beta,5alpha,6beta,9alpha,11alpha)-9,11-Epoxycholest-7-ene-3,5,6-triol|9alpha,11alpha-epoxy-5alpha-cholest-7-en-3beta,5,6beta-triol|9alpha,11alpha-epoxy-5alpha-cholest-7-ene-3beta,5,6beta-triol|9alpha,11alpha-epoxycholest-7-ene-3beta,5alpha,6beta-triol
2-O-[(3R,9R)-3-(acetyloxy)-9-hydroxyoctadecanoyl]glycerol
(3beta,6alpha)-form-3,6-Dihydroxy-9-oxo-9,11-secocholest-7-en-11-al
(3S,5E,7E,10S)-3,23,25-Trihydroxy-9,10-secocholesta-5,7-dien-24-one
(3beta, 5alpha, 6beta, 9alpha, 22E)-Cholesta-7, 22-diene-3, 5, 6, 9-tetrol, 9CI
2-O-[(3R,8R)-3-(acetyloxy)-8-hydroxyoctadecanoyl]glycerol
Chlorogenin
Chlorogenin is a triterpenoid. Chlorogenin is a natural product found in Yucca gloriosa, Solanum torvum, and other organisms with data available.
(5Z,7E)-(1S,3R,20R,24R)-20-fluoro-26,27-cyclo-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol
(5Z,7E)-(1S,3R,20S,24R)-20-fluoro-26,27-cyclo-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol
(5Z,7E)-(1S,3R,20R,24S)-20-fluoro-26,27-cyclo-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol
(5Z,7E)-(1S,3R,20S,24S)-20-fluoro-26,27-cyclo-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol
(7E)-(1S,3R,6R)-6,19-epidioxy-9,10-seco-5(10),7-cholestadiene-1,3-diol
(7E)-(1S,3R,6S)-6,19-epidioxy-9,10-seco-5(10),7-cholestadiene-1,3-diol
(7E)-(3S,6R)-6,19-epidioxy-9,10-seco-5(10),7-cholestadiene-3,25-diol
(7E)-(3S,6S)-6,19-epidioxy-9,10-seco-5(10),7-cholestadiene-3,25-diol
1α,25-dihydroxy-24a-homo-22-oxavitamin D3 / 1α,25-dihydroxy-24a-homo-22-oxacholecalciferol
(5Z,7E)-(1S,3R,20R)-24a-homo-22-oxa-9,10-seco-5,7,10(19)-cholestatrien-1,3,25-triol
(5Z,7E)-(1S,3R)-10,19-methano-23-oxa-9,10-seco-5,7-cholestadiene-1,3,25-triol
1α,2,25-trihydroxyvitamin D3 / 1α,2,25-trihydroxycholecalciferol
1α,11α,25-trihydroxyvitamin D3 / 1α,11α,25-trihydroxycholecalciferol
1α,11β,25-trihydroxyvitamin D3 / 1α,11β,25-trihydroxycholecalciferol
1α,18,25-trihydroxyvitamin D3 / 1α,18,25-trihydroxycholecalciferol
(20S)-1α,20,25-trihydroxyvitamin D3 / (20S)-1α,20,25-trihydroxycholecalciferol
(5Z,7E)-(1S,3R,20R,22R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,22,25-tetrol
(23S)-1α,23,25-trihydroxyvitamin D3 / (23S)-1α,23,25-trihydroxycholecalciferol
(24S)-1α,24,25-trihydroxyvitamin D3 / (24S)-1α,24,25-trihydroxycholecalciferol
(5E,7E)-(1S,3R,25R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25,26-tetrol
(25S)-1α,25,26-trihydroxyvitamin D3 / (25S)-1α,25S,26-trihydroxycholecalciferol
22,24,25-trihydroxyvitamin D3 / 22,24,25-trihydroxycholecalciferol
(23S)-23,24,25-trihydroxyvitamin D3 / (23S)-23,24,25-trihydroxycholecalciferol
(23S,25R)-23,25,26-trihydroxyvitamin D3 / (23S,25R)-23,25,26-trihydroxycholecalciferol
24,25,26-trihydroxyvitamin D3 / 24,25,26-trihydroxycholecalciferol
(23R)-1α,23,25-trihydroxyvitamin D3 / (23R)-1α,23,25-trihydroxycholecalciferol
3alpha,7alpha-Dihydroxy-5beta-cholest-24-en-26-oic acid
3alpha,7alpha-Dihydroxy-5beta-cholest-23-en-26-oic acid
3alpha,7beta-Dihydroxy-5beta-cholest-24-en-26-oic acid
A C27 bile acid that is 5beta-cholest-24-en-26-oic acid substituted by hydroxy groups at positions 3alpha and 7beta.
3alpha,12alpha-Dihydroxy-5beta-cholest-24-en-26-oic acid
gamma-Tocopheryl quinone
citraurin
An apo carotenoid triterpenoid compound consisting of 8-apo-beta-carotene having an aldehyde group in the 8-position and an (R)-hydroxy substituent at the 3-position. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
ethyl cyclohexylideneacetate
3-Hydroxy-8'-apo-e-caroten-8'-al
5-Tricosylresorcinol
A 5-alkylresorcinol that is resorcinol which is substituted by a tricosyl group at position 5. It is found in wheat bran.
bhas#30
An (omega-1)-hydroxy fatty acid ascaroside that is ascr#30 in which the pro-R hydrogen that is beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans.
bhos#30
An omega-hydroxy fatty acid ascaroside that is oscr#30 in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans.
(20R,24R)-20-fluoro-1alpha,24-dihydroxy-26,27-cyclovitamin D3
(20S,24R)-20-fluoro-1alpha,24-dihydroxy-26,27-cyclovitamin D3
(20R,24S)-20-fluoro-1alpha,24-dihydroxy-26,27-cyclovitamin D3
(20S,24S)-20-fluoro-1alpha,24-dihydroxy-26,27-cyclovitamin D3
(6R)-6,19-epidioxy-1alpha-hydroxy-6,19-dihydrovitamin D3
(6S)-6,19-epidioxy-1alpha-hydroxy-6,19-dihydrovitamin D3
(6R)-6,19-epidioxy-25-hydroxy-6,19-dihydrovitamin D3
(6S)-6,19-epidioxy-25-hydroxy-6,19-dihydrovitamin D3
1alpha,25-dihydroxy-24a-homo-22-oxavitamin D3 / 1alpha,25-dihydroxy-24a-homo-22-oxacholecalciferol
1alpha,25-dihydroxy-24a-homo-22-oxa-20-epivitamin D3
1alpha,2,25-trihydroxyvitamin D3 / 1alpha,2,25-trihydroxycholecalciferol
1alpha,11alpha,25-trihydroxyvitamin D3 / 1alpha,11alpha,25-trihydroxycholecalciferol
1alpha,11beta,25-trihydroxyvitamin D3 / 1alpha,11beta,25-trihydroxycholecalciferol
1alpha,18,25-trihydroxyvitamin D3 / 1alpha,18,25-trihydroxycholecalciferol
(20S)-1alpha,20,25-trihydroxyvitamin D3
(22R)-1alpha,22,25-trihydroxy-20-epivitamin D3
(23S)-1alpha,23,25-trihydroxyvitamin D3
(24S)-1alpha,24,25-trihydroxyvitamin D3 / (24S)-1alpha,24,25-trihydroxycholecalciferol
(25S)-1alpha,25,26-trihydroxyvitamin D3 / (25S)-1alpha,25S,26-trihydroxycholecalciferol
(23S)-23,24,25-trihydroxyvitamin D3
(23R)-1alpha,23,25-trihydroxyvitamin D3 / (23R)-1alpha,23,25-trihydroxycholecalciferol
Methyl (3α,5β,6α)-6-ethyl-3-hydroxy-7-oxocholan-24-oate
Apo-8-carotenoic Acid
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
(3R,16R)-16-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxyheptadecanoic acid
(3R)-17-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxyheptadecanoic acid
Neochlorogenin
Aglycone from Solanum torvum (pea eggplant). Neochlorogenin is found in fruits. Neochlorogenin is found in fruits. Aglycone from Solanum torvum (pea eggplant
(20S)-1alpha,20,25-trihydroxyvitamin D3/(20S)-1alpha,20,25-trihydroxycholecalciferol
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoic acid
Glycolithocholate
A N-acylglycinate that is the conjugate base of glycolithocholic acid; major species at pH 7.3. D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
1alpha,24(R),25-trihydroxyvitamin D3
D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaene-1,1-diol
(5Z)-5-[(2E)-2-[1-(5,6-dihydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
(1R,3R)-5-[(2E)-2-[(3As,7aS)-1-[(1R)-1-[(2S)-3-hydroxy-2,3-dimethylbutoxy]ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol
5-amino-2-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]-5-oxopentanoic acid
(5Z)-5-[(2E)-2-[1-(6,7-dihydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
(5Z)-5-[(2E)-2-[1-(4,6-dihydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
(20S,23,25)-trihydroxyvitamin D3
A hydroxycalciol that consists of vitamin D3 (calciol) carrying additional hydroxy groups at positions 20 (with S-configuration), 23 and 25.
(20S,23,24)-trihydroxyvitamin D3
A hydroxycalciol that consists of vitamin D3 (calciol) carrying additional hydroxy groups at positions 20 (with S-configuration), 23 and 24.
1alpha,2beta,25-trihydroxy vitamin D3
A hydroxy seco-steroid that is calciol carrying three additional hydroxy substituents at positions 1alpha, 2beta and 25.
(24S)-7alpha,12alpha,24-trihydroxycholest-4-en-3-one
7alpha,12alpha,24-trihydroxycholest-4-en-3-one with S-configuration at C-24.
(25R)-3beta,4beta-Dihydroxycholest-5-en-26-Oic acid
A steroid acid resulting from stereoselective oxidation of one of the terminal methyl groups of 4beta-hydroxycholesterol to the corresponding carboxylic acid.
(13Z,16Z,19Z,22Z)-2-hydroxyoctacosatetraenoic acid
A very long-chain polyunsaturated fatty acid that is (13Z,16Z,19Z,22Z)-octacosatetraenoic acid substituted at position 2 by a hydroxy group.
[1-hydroxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]propan-2-yl] hexanoate
[1-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoxy]-3-hydroxypropan-2-yl] acetate
[1-hydroxy-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]propan-2-yl] butanoate
[3-carboxy-2-[(4E,7E,10E,13E,16E)-nonadeca-4,7,10,13,16-pentaenoyl]oxypropyl]-trimethylazanium
1-Methyl-4-(6-(3,7-dimethyl-2,6-octadienyl)-10-hydroxy-5,9-dimethyl-1-oxo-deca-4-EN-1-YL)-piperadine
(4Z,8Z)-6-(4-hydroxy-3-methylbutyl)-5,9,13-trimethyl-1-[4-(trideuteriomethyl)piperazin-1-yl]tetradeca-4,8,12-trien-1-one
1-Trideuteriomethyl-4(6-(3,7-dimethyl-2,6-octadienyl-10-hydroxy-5,9-dimethyl-1-oxo-deca-4-EN-1-YL)-piperadine
[1-Carboxy-3-(2-hydroxy-3-tridecanoyloxypropoxy)propyl]-trimethylazanium
7alpha,12alpha,26-trihydroxycholest-4-en-3-one
A cholestanoid that is cholest-4-en-3-one which has been substituted by hydroxy groups at the 7alpha, 12alpha, and 26 positions. It is an intermediate in bile acid metabolism.
1alpha,23(S),25-trihydroxyvitamin D3
A hydroxycalciol that consists of vitamin D3 (calciol) bearing additional hydroxy substituents at positions 1, 23 and 25 (with 1alpha,23S-configuration). An intermediate in the degradation pathway of 1alpha,25-(OH)2D3. D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
(5Z,7E)-(1S,3R,24S)-9,10-seco-5,7,10(19)-cholestatriene-1,3,24,25-tetrol
24-methylene-5alpha-cholestan-3alpha,12alpha,16alpha-triol
5alpha,9alpha-epidioxy-cholest-7-en-3beta,6beta-diol
4,4-diaponeurosporenoic acid
An apo carotenoid triterpenoid that is 4,4-diapolycopene in which one of the terminal methyl groups has been oxidised to the corresponding carboxylic acid.
(1'r,2r,2's,4's,5s,7's,8'r,9's,12's,13's,16's,18's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-5,16'-diol
(3r,6r)-6-[(1s,3r,6s,8s,11s,12s,15r,16r)-6-hydroxy-12,16-dimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]-2-methylheptane-2,3-diol
(1'r,2r,2's,3'r,4'r,5r,7's,8'r,9's,12's,13's,16'r,18's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-3',16'-diol
2-[(7-ethenyl-1,1,4a,7-tetramethyl-3,4,6,8,8a,9,10,10a-octahydro-2h-phenanthren-2-yl)oxy]-1-{n-[(2-hydroxyethyl)-c-hydroxycarbonimidoyl]imino}ethanol
(1's,2r,2's,4's,5r,7's,8'r,9's,12's,13's,14'r,16'r,18'r)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-14',16'-diol
(1as,4as,7s,8ar)-7-hydroxy-3-[(1r,2r,3r)-2-(2-hydroxyethyl)-2-methyl-3-[(2r)-6-methylheptan-2-yl]cyclopentyl]-4a-methyl-1ah,5h,6h,7h,8h-naphtho[1,8a-b]oxiren-4-one
5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-5,16'-diol
5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-10',16'-diol
2-[3-(5,6-dimethylheptan-2-yl)-2-(2-hydroxyethyl)-2-methylcyclopentyl]-6-hydroxy-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one
2-[2-(4,6-dihydroxy-8a-methyl-1-oxo-4,4a,5,6,7,8-hexahydronaphthalen-2-yl)-1-methyl-5-(6-methylheptan-2-yl)cyclopentyl]acetaldehyde
3a,7,9b-trihydroxy-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1h,2h,3h,5ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-5-one
(1s,3as,3br,5as,9as,9bs,11as)-1-hydroxy-1-[(2r,3r,6r)-2-hydroxy-6-isopropyloxan-3-yl]-9a,11a-dimethyl-dodecahydro-2h-cyclopenta[a]phenanthren-7-one
1-(5-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthrene-5a,7-diol
(1'r,2r,2's,4's,5r,7's,8'r,9's,12's,13's,16's,18's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-5,16'-diol
(1r,3as,5as,7r,9as,9bs,11ar)-3a,7,9b-trihydroxy-9a,11a-dimethyl-1-[(2r)-6-methylheptan-2-yl]-1h,2h,3h,5ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-5-one
[(3r,5s)-5-[(2s,4s)-2,4-dimethyl-12-phenyldodecyl]-3,5-dimethyl-1,2-dioxolan-3-yl]acetic acid
(1r,2s,5s,7r,8r,11r,14r,15r,17r)-2,15-dimethyl-14-[(2r)-6-methylheptan-2-yl]-18-oxapentacyclo[8.8.0.0¹,¹⁷.0²,⁷.0¹¹,¹⁵]octadec-9-ene-5,7,8-triol
[(3r,5s)-5-[(2s,4r)-2,4-dimethyl-12-phenyldodecyl]-3,5-dimethyl-1,2-dioxolan-3-yl]acetic acid
(1's,2's,4's,5r,7's,8'r,9's,12's,13's,14'r,16'r,18's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-14',16'-diol
{13-[(acetyloxy)methyl]-5,9-dimethyltetracyclo[10.2.2.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl}methyl 2-methylbutanoate
12-epirockogenin
{"Ingredient_id": "HBIN000845","Ingredient_name": "12-epirockogenin","Alias": "NA","Ingredient_formula": "C27H44O4","Ingredient_Smile": "CC1CCC2(C(C3C(O2)CC4C3(C(CC5C4CCC6C5(CCC(C6)O)C)O)C)C)OC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15269","TCMID_id": "7007","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
α-citraurin
{"Ingredient_id": "HBIN015456","Ingredient_name": "\u03b1-citraurin","Alias": "NA","Ingredient_formula": "C30H40O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3763","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
barbourgenin
{"Ingredient_id": "HBIN017598","Ingredient_name": "barbourgenin","Alias": "NA","Ingredient_formula": "C27H44O4","Ingredient_Smile": "CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)O)C)C)OC16CCC(CO6)CO","Ingredient_weight": "432.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2150","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "129125","DrugBank_id": "NA"}
