Exact Mass: 424.3259
Exact Mass Matches: 424.3259
Found 500 metabolites which its exact mass value is equals to given mass value 424.3259,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Glutinone
Glutinone is a member of cyclohexanones. Glutinone is a natural product found in Uvaria concava, Dischidia formosana, and other organisms with data available.
23-hydroxycholic acid
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
alpha-Tocotrienol
alpha-Tocotrienol (CAS: 1721-51-3), also known as 5,7,8-trimethyltocotrienol, 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 carbon C6 atom of a benzopyran ring system. They differ from tocopherols that contain a saturated trimethyltridecyl chain. Thus, alpha-tocotrienol is considered to be a quinone lipid molecule. alpha-Tocotrienol is found in the blood plasma and all lipoprotein subfractions. Compared to tocopherols, alpha-tocotrienols are poorly studied. Its presence in the blood plasma at nanomolar concentrations is thought to help to prevent stroke-related neurodegeneration (PMID: 16771695). alpha-Tocotrienol has been found to have vitamin E activity. D020011 - Protective Agents > D000975 - Antioxidants > D024508 - Tocotrienols Acquisition and generation of the data is financially supported in part by CREST/JST.
Cycloeucalenone
A pentacyclic triterpenoid that is 4alpha,14-dimethyl-9beta,19-cyclo-5alpha-ergost-24(28)-ene which is substituted by an oxo group at position 3. It has been isolated from several plant species including Quercus variabilis, Ammocharis coranica, Solanum cernuum and Tinospora crispa.
Moretenone
Moretenone is found in fats and oils. Moretenone is a constituent of Sapium sebiferum (Chinese tallowtree) Constituent of Sapium sebiferum (Chinese tallowtree). Moretenone is found in fats and oils. Moretenone is a natural product found in Patrinia villosa with data available.
31-Norcyclolaudenone
4-Epicyclomusalenone is found in fruits. 4-Epicyclomusalenone is a constituent of Musa sapientum (banana). Constituent of Musa sapientum (banana). 4-Epicyclomusalenone is found in fruits.
Taraxasterone
Isolated from dandelion root Taraxacum officinale. It is used in flavouring. Taraxasterone is found in many foods, some of which are beverages, alcoholic beverages, coffee and coffee products, and tea. Taraxasterone is found in alcoholic beverages. Taraxasterone is isolated from dandelion root Taraxacum officinale. Taraxasterone is used in flavourin Taraxasterone is a triterpenoid.
Anhydrosophoradiol
Anhydrosophoradiol is found in pulses. Anhydrosophoradiol is isolated from azuki bean (Vigna angularis) seeds. Isolated from azuki bean (Vigna angularis) seeds. Anhydrosophoradiol is found in pulses.
alpha-Amyrone
alpha-Amyrone is found in black elderberry. alpha-Amyrone is found in Sambucus nigra (elderberry). Found in Sambucus nigra (elderberry)
(22E,24R)-Stigmasta-4,22-diene-3,6-dione
(22E,24R)-Stigmasta-4,22-diene-3,6-dione is found in fruits. (22E,24R)-Stigmasta-4,22-diene-3,6-dione is isolated from Glycine max (soybean) and Pistia stratiotes (date). Isolated from Glycine max (soybean) and Pistia stratiotes (date). (22E,24R)-Stigmasta-4,22-diene-3,6-dione is found in soy bean, pulses, and fruits.
Butyrospermone
Butyrospermone is found in fats and oils. Butyrospermone is found in various vegetable oils. Found in various vegetable oils
gamma-Taraxasterone
Constituent of dandelion root (Taraxacum officinale). gamma-Taraxasterone is found in many foods, some of which are beverages, coffee and coffee products, alcoholic beverages, and tea. gamma-Taraxasterone is found in alcoholic beverages. gamma-Taraxasterone is a constituent of dandelion root (Taraxacum officinale)
Cycloeucalenone
4-Epicycloeucalenone is found in fruits. 4-Epicycloeucalenone is isolated from Musa sapientum (banana
Mangiferoleanone
Mangiferoleanone is found in fruits. Mangiferoleanone is a constituent of the root bark of Mangifera indica (mango) Constituent of the root bark of Mangifera indica (mango). Mangiferoleanone is found in fruits.
3a,7a,12a,19-Tetrahydroxy-5b-cholanoic acid
3a,7a,12a,19-Tetrahydroxy-5b-cholanoic acid is a bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g., membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues. A bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12. D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
LysoPA(O-18:0/0:0)
LysoPA(O-18:0/0:0) is a lysophosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. Lysophosphatidic acids can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) or C-2 (sn-2) position. Fatty acids containing 16 and 18 carbons are the most common.LysoPA(O-18:0/0:0), in particular, consists of one octadecyl chain. Lysophosphatidic acid is the simplest possible glycerophospholipid. It is the biosynthetic precursor of phosphatidic acid. Although it is present at very low levels only in animal tissues, it is extremely important biologically, influencing many biochemical processes. 1-Octadecyl-sn-glycero-3-phosphate is a lysophosphatidyl ether lipid. Ether lipids are lipids in which one or more of the carbon atoms on glycerol is bonded to an alkyl chain via an ether linkage, as opposed to the usual ester linkage. The formation of the ether bond in mammals requires two enzymes, dihydoxyacetonephosphate acyltransferase (DHAPAT) and alkyldihydroxyacetonephosphate synthase (ADAPS), that reside in the peroxisome. [HMDB]
1beta-Hydroxycholic acid
1beta-Hydroxycholic acid is a C24 bile acid in the serum of healthy human fetuses and a urinary bile acid in the neonatal and pediatric periods. It is also excreted in the urine of pregnant women (PMID: 9483300, 10203155, 1400756). Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute, depending only on the presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g. membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues (PMID: 11316487, 16037564, 12576301, 11907135). 1b-Hydroxycholic acid is a C24 bile acid in the serum of healthy human fetuses, and an usual urinary bile acid in the neonatal and pediatric periods, also excreted in the urine of pregnant women. (PMID: 9483300, 10203155, 1400756) D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid
3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid is a bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g., membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues. A bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12.
2b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid
2b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid is a bile acid. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute, depending only on the presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g. membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues (PMID: 11316487, 16037564, 12576301, 11907135). A bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12.
3a,6b,7b,12a-Tetrahydroxy-5b-cholanoic acid
3a.6b,7b,12a-tetrahydroxy-5b-cholan-24-oic is an unusual bile acid that has been identified in amniotic fluid and urine samples from adult patients with cholestatic liver disease. (PMID 2075618). Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12.
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid is a bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12. 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid is an uncommon bile acid with OH groups at C-3, 6, 7, and 12 positions. (High-performance liquid chromatography of bile acids. Effect of hydroxyl groups at C-3, 6, 7 and 12 on bile acid mobility. Batta, Ashok K. Aggarwal, Suresht K. Salen, Gerald. New Jersey Med. Sch., Univ. Med. Dent., Newark, NJ, USA. Journal of Liquid Chromatography (1992), 15(3), 467-78.). A bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12. 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid is an uncommon bile acid with OH groups at C-3, 6, 7, and 12 positions. (High-performance liquid chromatography of bile acids. Effect of hydroxyl groups at C-3, 6, 7 and 12 on bile acid mobility. Batta, Ashok K.; Aggarwal, Suresht K.; Salen, Gerald. New Jersey Med. Sch., Univ. Med. Dent., Newark, NJ, USA. Journal of Liquid Chromatography (1992), 15(3), 467-78.) [HMDB]
3a,6b,7a,12a-Tetrahydroxy-5b-cholanoic acid
3a,6b,7a,12a-Tetrahydroxy-5b-cholanoic acid is a bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12. 3 alpha,6 alpha,7 alpha,12 alpha-Tetrahydroxy-5 beta-cholan-24-oic acid has been identified from human meconium and healthy neonatal urine. (PMID 2743505).
1,3,7,12-Tetrahydroxycholan-24-oic acid
1,3,7,12-Tetrahydroxycholan-24-oic acid is a bile acid. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute, depending only on the presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g. membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues (PMID: 11316487, 16037564, 12576301, 11907135). A bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12. D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
3a,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid
3a,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid is a bile acid. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute, depending only on the presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g. membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues (PMID: 11316487, 16037564, 12576301, 11907135). A bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12.
Linoelaidylcarnitine
Linoelaidylcarnitine is an acylcarnitine. Numerous disorders have been described that lead to disturbances in energy production and in intermediary metabolism in the organism which are characterized by the production and excretion of unusual acylcarnitines. A mutation in the gene coding for carnitine-acylcarnitine translocase or the OCTN2 transporter aetiologically causes a carnitine deficiency that results in poor intestinal absorption of dietary L-carnitine, its impaired reabsorption by the kidney and, consequently, increased urinary loss of L-carnitine. Determination of the qualitative pattern of acylcarnitines can be of diagnostic and therapeutic importance. The betaine structure of carnitine requires special analytical procedures for recording. The ionic nature of L-carnitine causes a high water solubility which decreases with the increasing chain length of the ester group in the acylcarnitines. Therefore, the distribution of L-carnitine and acylcarnitines in various organs is defined by their function and their physicochemical properties as well. High-performance liquid chromatography (HPLC) permits screening for free and total carnitine, as well as complete quantitative acylcarnitine determination, including the long-chain acylcarnitine profile (PMID: 17508264, Monatshefte fuer Chemie (2005), 136(8), 1279-1291., Int J Mass Spectrom. 1999;188:39-52.).
Linoleyl carnitine
Linoleyl carnitine is a long-chain acyl fatty acid derivative ester of carnitine. Long-chain acyl fatty acid derivatives accumulate in the cytosol and serum of patients suffering of mitochondrial carnitine palmitoyltransferase II (CPT II, EC 2.3.1.12) deficiency, the most common inherited disorder of lipid metabolism in adults. Carnitine palmitoyltransferase II deficiency is an autosomal recessive disorder of fatty acid metabolism presenting as two clinical phenotypes: (i) a severe infantile hepatocardiomuscular form and (ii) a milder adult muscular form. Energy production from long-chain fatty acids (LCFAs) requires the transport of LCFAs into the mitochondrial matrix. This transport is carnitine-dependent and involves translocation machinery. Mitochondrial fatty acid oxidation disorders cause hypoglycaemia, hepatic dysfunction, myopathy, cardiomyopathy and encephalopathy. Patients with end-stage renal disease (ESRD) undergoing long-term haemodialysis exhibit elevated acylcarnitine concentrations (PMID: 11999976, 10682306, 15025677, 16168195). Moreover, linoleyl carnitine is found to be associated with glutaric aciduria II, which is an inborn error of metabolism. Linoleyl carnitine is a long-chain acyl fatty acid derivative ester of carnitine. Long-chain acyl fatty acid derivatives accumulate in the cytosol and serum of patients suffering of mitochondrial carnitine palmitoyltransferase II (CPT II, EC 2.3.1.12) deficiency, the most common inherited disorder of lipid metabolism in adults. carnitine palmitoyltransferase II deficiency is an autosomal recessive disorder of fatty acid metabolism presenting as two clinical phenotypes: (i) a severe infantile hepatocardiomuscular form and (ii) a milder adult muscular form. Energy production from long-chain fatty acids (LCFAs) requires the transport of LCFAs into the mitochondrial matrix. This transport is carnitine-dependent and involves translocation machinery. mitochondrial fatty acid oxidation disorders cause hypoglycaemia, hepatic dysfunction, myopathy, cardiomyopathy and encephalopathy. Patients with end-stage renal disease (ESRD) undergoing long-term haemodialysis exhibit elevated acylcarnitine concentrations. (PMID: 11999976, 10682306, 15025677, 16168195) [HMDB]
1b,3a,7b-Trihydroxy-5b-cholanoic acid
1b,3a,7b-Trihydroxy-5b-cholanoic acid is a bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 1, 3, and 7. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of holesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g., membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues. (PMID: 11316487, 16037564, 12576301, 11907135).
3a,7b,21-Trihydroxy-5b-cholanoic acid
3a,7b,21-Trihydroxy-5b-cholanoic acid is a bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 21. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of holesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an nterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g., membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues. (PMID: 11316487, 16037564, 12576301, 11907135). 3a,7b,21-Trihydroxy-5b-cholanoic acid is a bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 21.
Momodicaursenol
Momodicaursenol is found in fruits. Momodicaursenol is a constituent of the seeds of the famine food Momordica dioica. Constituent of the seeds of the famine food Momordica dioica. Momodicaursenol is found in fruits.
(2R)-2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-ol
Bis(7-methyloctyl) Cyclohexane-1,2-dicarboxylate
17-Estradiol cyclooctyl acetate
Lupenone
1,2,5,14,18,18-hexamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-17-one belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. 1,2,5,14,18,18-hexamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-17-one is an extremely weak basic (essentially neutral) compound (based on its pKa). This compound has been identified in human blood as reported by (PMID: 31557052 ). Lupenone is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Lupenone is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Taraxerone
24-Methylene-31-nor-5alpha-cycloartan-3-one
24-methylene-31-nor-5alpha-cycloartan-3-one is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 24-methylene-31-nor-5alpha-cycloartan-3-one can be found in french plantain, which makes 24-methylene-31-nor-5alpha-cycloartan-3-one a potential biomarker for the consumption of this food product.
Stigmast-4,22-diene-3,6-dione
Stigmast-4,22-diene-3,6-dione is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Stigmast-4,22-diene-3,6-dione can be found in date, which makes stigmast-4,22-diene-3,6-dione a potential biomarker for the consumption of this food product.
beta-Amyrenone
Beta-amyrenone is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Beta-amyrenone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Beta-amyrenone can be found in rosemary and shea tree, which makes beta-amyrenone a potential biomarker for the consumption of these food products.
Skimmione
Taraxerone is a scalarane sesterterpenoid. It has a role as a metabolite. Taraxerone is a natural product found in Alnus pendula, Euphorbia mellifera, and other organisms with data available. See also: Myrica cerifera root bark (part of). A natural product found in Cupania cinerea.
3a,5a,8,8,11a,13a-hexamethyl-3-(propan-2-yl)-1,2,3,3a,4,5,5a,5b,6,7,7a,8,10,11,11a,13,13a,13b-octadecahydro-9h-cyclopenta[a]chrysen-9-one
(rel 5S,6R,8R,9R,10S,13S,15S,16R)-6-acetoxy-9,13;15,16-diepoxy-15,16-dimethoxylabdane
4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one
D:C-D-Friedomadeir-7-en-3-one|D:C-friedomadeir-7-en-3-one|isomadeiranone
3beta-hydroxy-28-norolean-12,17-dien-16-one|3beta-hydroxy-28-noroleana-12,17-dien-16-one|Maragenin II
D:C-Friedo-urs-8-en-3-on|D:C-friedo-urs-8-en-3-one|Isobauerenon|isobauerenone|Isobauereon
1(10 -> 6)abeo-ergosta-5,7,9,22-tetraen-11alpha-methoxy-3alpha-ol|citreoandrasteroid|Citreoanthrasteroid
22beta-form-22-Hydroxy-29-nor-2,4(23)-friedeladien-21-one
9(11)-dehydroaxinysterol
A 3beta-sterol having a 5alpha-ergostane skeleton with double bonds at C-6, C-9(11), C-22 and C-25 and a peroxy group between positions 5 and 8. An antineoplastic agent isolated from Okinawan sponge of the genus Axinyssa.
1-(1-methylethyl)-4-methyl-3-cyclohexenyl 3,5-bis(2-methyl-2-butenyl)-4-methoxybenzoate
3beta-hydroxy-4alpha,14alpha-dimethyl-5alpha-ergosta-7,9(11),24(28)-trien|4alpha,14alpha-Dimethyl-5alpha-ergosta-7,9(11),24(28)-trien-3beta-ol
19alpha-hydroxyferna-7,9(11)-diene|19??-Hydroxyferna-7,9(11)-diene
(4aR)-10c-Hydroxy-2.2.4ar.6at.6bc.9.9.12ac-octamethyl-(8atH.12btH)-Delta13.14a-octadecahydro-picen|(4aR)-10c-hydroxy-2.2.4ar.6at.6bc.9.9.12ac-octamethyl-(8atH.12btH)-Delta13.14a-octadecahydro-picene|3beta-11,13(18)-Oleanadien-3-ol|oleana-11:13(18)-dien-3beta-ol
6-Ketone-6beta-6-Hydroxystigmasta-4,24-dien-3-one|stigmasta-4,24(25)-dien-3,6-dione
(3beta,20S)-20-(methylamino)-3-[(2-methylbut-2-enoyl)amino]-5alpha-pregn-2-en-4-one|Pulchowkiamide A
7beta,15-dihydroxy-17-succinyloxy-ent-cleroda-3-ene
(3Z,5S,15Z,27Z)-form-3,15,27-Triacontatriene-1,29-diyn-5-ol|(5R)-3,15,27-triacontatriene-1.29-diyn-5-ol
(3beta)-3-hydroxy-24,30-dinoroleana-4(23),12,20(29)-trien-28-oic acid|paeonenoide B
Lupenone
Lupenone, isolated from Musa basjoo, belongs to lupane type triterpenoids. Lupenone shows various pharmacological activities including anti-inflammatory, anti-virus, anti-diabetes, anti-cancer, improving Chagas disease without major toxicity[1][2]. Lupenone is an orally active lupine-type triterpenoid that can be isolated from Musa basjoo. Lupenone Lupenone plays a role through the PI3K/Akt/mTOR and NF-κB signaling pathways. Lupenone has anti-inflammatory, antiviral, antidiabetic and anticancer activities[1][2][3]. Lupenone, isolated from Musa basjoo, belongs to lupane type triterpenoids. Lupenone shows various pharmacological activities including anti-inflammatory, anti-virus, anti-diabetes, anti-cancer, improving Chagas disease without major toxicity[1][2].
2,8-Dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-5-formyl-chroman-6-ol|2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-5-formylchroman-6-ol|5-formyl-delta-tocotrienol
3-hydroxy-24,28-dinor-18beta-olean-3,12-diene-2,16-dione|remangilone D
(22E)-3beta-hydroxy-14beta-ergosta-5,8,22-trien-7,15-dione
(22E)-3beta-hydroxyergosta-5,8(14),22-trien-7,15-one
9alpha,11alpha-dihydroxyergosta-4,6,8(14),22-tetraen-3-one
An ergostanoid that is ergosta-4,6,8(14),22-tetraene substituted by hydroxy groups at positions 9 and 11 and an oxo group at position 3. Isolated from a myxobacterial strain Sorangiineae, it exhibits activity against colon adinocarcinoma cells.
(20R,22E,24R)-3beta-hydroxystigmasta-5,22,25-trien-7-one|stigmasta-5,22,25-trien-7-on-3beta-ol
(24R)-3-hydroxy-9,10-secostigmasta-1,3,5(10),22-tetraen-9-one|sibogol B
(20R,22E,24R)-6beta-hydroxystigmasta-4,22,25-trien-3-one
12beta-acetoxy-24-norcholesta-1,4,22-trien-3-one|24-Norcholesta-1,4,22,trien-12beta-acetoxy-3-one
2S,3R-3-acetoxy-6-(2-acetoxyethylidene)-2-methyl-2-(4,8-dimethyl-5-hydroxy-7-nonenyl)-oxepane|9-<(2S,3R)-3-acetoxy-6-<(E)-2-acetoxyethylidene>-2-methyl-2-oxepanyl>-2,6-dimethyl-2-nonen-5-ol|9-[(2S,3R)-3-acetoxy-6-((E)-2-acetoxyethylidene)-2-methyl-2-oxepanyl]-2,6-dimethyl-2-nonen-5-ol
2,8-Dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-7-formyl-chroman-6-ol
(2E,20S)-20-(dimethylamino)-3beta-(tigloylamino)pregn-4,14-diene|salonine-C
15,17-dihydroxy-7beta-succinyloxy-ent-cleroda-3-ene
15,16-diacetoxy-7alpha,18-dihydroxy-ent-cleroda-3-ene
1b,3a,7a,12a-Tetrahydroxy-5b-cholan-24-oic acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.; [Mass_spectrometry] Sampling interval 1 Hz
2b,3a,7a,12a-Tetrahydroxy-5b-cholan-24-Oic acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.; [Mass_spectrometry] Sampling interval 1 Hz
3b,4b,7a,12a-Tetrahydroxy-5b-cholan-24-oic acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.; [Mass_spectrometry] Sampling interval 1 Hz
3a,6a,7a,12a-Tetrahydroxy-5b-cholan-24-oic acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.; [Mass_spectrometry] Sampling interval 1 Hz; In-suorce decay
3a,6b,7a,12a-Tetrahydroxy-5b-cholan-24-oic acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.; [Mass_spectrometry] Sampling interval 1 Hz; In-suorce decay
3a,6b,7b,12a-(OH)4-5b-cholanic acid
BA-91-30. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-91-150. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-91-90. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-91-60. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
3a,6b,7b,12a-(OH)4- 5b-cholanic acid
BA-91-120. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
3a,6a,7b,12a-Tetrahydroxy-5b-cholan-24-oic acid
BA-92-90. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-92-60. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. [Analytical] Sample of 1 micorL methanol solution was flow injected.; [Mass_spectrometry] Sampling interval 1 Hz; In-suorce decay
α-tocotrienol
A tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2, 5, 7 and 8 and a farnesyl chain at position 2. It has been found in palm oil derived from Elaeis guineensis. D020011 - Protective Agents > D000975 - Antioxidants > D024508 - Tocotrienols
3a,6a,7b,12a-(OH)4-5a-cholanic acid
BA-101-150. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-101-120. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-101-90. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
(R)-4-((1R,3S,5S,7R,8S,9S,10S,12S,13R,14S,17R)-1,3,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(R)-4-((3R,5R,6R,7R,8R,9S,10R,12S,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(4R)-4-((3R,5S,6S,7R,8R,9S,10R,12S,13R,17R)-3,6,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(R)-4-((3R,5R,6R,7S,8R,9S,10R,12S,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(4R)-4-((3R,5R,6S,7R,9S,10R,12S,13R,17R)-3,6,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(4R)-4-((1R,3S,5S,7R,9S,10S,12S,13R,14S,17R)-1,3,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(4R)-4-((3R,5R,6S,7R,9S,10R,12S,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(4R)-4-((3R,5S,6R,7R,9S,10R,12S,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(4R)-4-((3R,5R,6R,7S,9S,10R,12S,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(4R)-4-((2S,3S,5R,7R,9S,10S,12S,13R,14S,17R)-2,3,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(R)-4-((3R,4R,5S,7R,8R,9S,10R,12S,13R,14S,17R)-3,4,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(5Z,7E,22E,24E,26E)-(1S,3R)-26a,26b-dihomo-27-nor-9,10-seco-5,7,10(19),22,24,26(26a)-cholestahexaene-1,3,26b-triol
2α-Fluoro-19-nor-22-oxa-1α,25-dihydroxyvitamin D3
(23S)-3α,7α,12α,23-Tetrahydroxy-5β-cholan-24-oic Acid
(23R)-3α,7α,17α,23-Tetrahydroxy-5β-cholan-24-oic Acid
Isopropyl unoprostone
3alpha,7alpha,12alpha,16alpha-tetrahydroxy-5beta-cholan-24-oic Acid
3alpha,7alpha,12alpha,23R-tetrahydroxy-5beta-cholan-24-oic acid
(22E,24R)-Stigmasta-4,22-diene-3,6-dione
(22E,24E,26E)-1alpha,26b-dihydroxy-22,23,24,25,26,26a-hexadehydro-26a,26b-dihomo-27-norvitamin D3
2alpha-Fluoro-19-nor-22-oxa-1alpha,25-dihydroxyvitamin D3
ST 24:1;O6
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
2-methylprop-2-enoic acid,octadecyl 2-methylprop-2-enoate
1,2-difluoro-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]benzene
(Z)-(carboxymethyl)dimethyl-3-[(1-oxo-9-octadecenyl)amino]propylammonium hydroxide
2,2-Methylenebis[4,6-bis(2-methyl-2-propanyl)phenol]
Pifarnine
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent
3,4-Difluoro-4-(4-pentyl[1,1-bicyclohexyl]-4-yl)-1,1-biphenyl
Unoprostone Isopropyl
C78283 - Agent Affecting Organs of Special Senses > C29705 - Anti-glaucoma Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents C78568 - Prostaglandin Analogue
[(2R)-3-carboxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxypropyl]-trimethylazanium
[(2R)-3-carboxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(10E,12E)-octadeca-10,12-dienoyl]oxypropyl]-trimethylazanium
propan-2-yl (E)-7-[3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoate
[3-carboxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(9E,11E)-octadeca-9,11-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(6E,9E)-octadeca-6,9-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,4E)-octadeca-2,4-dienoyl]oxypropyl]-trimethylazanium
[3-Carboxy-2-[9-(3-methyl-5-propylfuran-2-yl)nonanoyloxy]propyl]-trimethylazanium
[3-Carboxy-2-[5-(5-heptyl-3-methylfuran-2-yl)pentanoyloxy]propyl]-trimethylazanium
[3-Carboxy-2-[7-(3-methyl-5-pentylfuran-2-yl)heptanoyloxy]propyl]-trimethylazanium
[3-Carboxy-2-[8-(5-pentylfuran-2-yl)octanoyloxy]propyl]-trimethylazanium
Muqubilone
A sesterterpenoid isolated from Red Sea sponge Diacarnus erythraeanus and has been shown to exhibit anti-HSV-1 activity. D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
N-butan-2-yl-N-[2-(3,5-dimethyl-1-piperidinyl)-4-methyl-6-quinolinyl]butanediamide
(5R)-5-hydroxy-5-[(1R,3S,7S,10S,13S)-1,3,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
3-Carboxy-N,N,N-trimethyl-2-[(octadeca-9,12-dienoyl)oxy]propan-1-aminium
[3-carboxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxypropyl]-trimethylazanium
[1-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propan-2-yl] pentanoate
[1-[(11Z,14Z)-henicosa-11,14-dienoxy]-3-hydroxypropan-2-yl] acetate
[1-hydroxy-3-[(9Z,12Z)-nonadeca-9,12-dienoxy]propan-2-yl] butanoate
[1-[(9Z,12Z)-heptadeca-9,12-dienoxy]-3-hydroxypropan-2-yl] hexanoate
[1-hydroxy-3-[(11Z,14Z)-icosa-11,14-dienoxy]propan-2-yl] propanoate
[1-[(9Z,12Z)-hexadeca-9,12-dienoxy]-3-hydroxypropan-2-yl] heptanoate
(1-hydroxy-3-propanoyloxypropan-2-yl) (9Z,12Z)-nonadeca-9,12-dienoate
(1-acetyloxy-3-hydroxypropan-2-yl) (11Z,14Z)-icosa-11,14-dienoate
(1-hydroxy-3-pentanoyloxypropan-2-yl) (9Z,12Z)-heptadeca-9,12-dienoate
(1-hexanoyloxy-3-hydroxypropan-2-yl) (9Z,12Z)-hexadeca-9,12-dienoate
(1-butanoyloxy-3-hydroxypropan-2-yl) (9Z,12Z)-octadeca-9,12-dienoate
alpha-Phocaecholic acid
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
1beta-Hydroxycholic acid
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
3alpha,6beta,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid
3alpha,6beta,7beta,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid
3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid
3alpha,6alpha,7beta,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid
2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid
3alpha,6alpha,7beta,12alpha-Tetrahydroxy-5alpha-cholan-24-oic Acid
3alpha,6beta,7alpha,12beta-Tetrahydroxy-5beta-cholan-24-oic Acid
3alpha,6beta,7beta,12alpha-Tetrahydroxy-5alpha-cholan-24-oic Acid
(23R)-3alpha,5beta,7alpha,23-Tetrahydroxycholan-24-oic Acid
2chi,3alpha,6alpha,7alpha-Tetrahydroxy-5beta-cholan-24-oic Acid
(23S)-3alpha,7alpha,12alpha,23-Tetrahydroxy-5beta-cholan-24-oic Acid
(23R)-3alpha,7alpha,17alpha,23-Tetrahydroxy-5beta-cholan-24-oic Acid
LSM(15:0)
Provides by LipidSearch Vendor. © Copyright 2006-2024 Thermo Fisher Scientific Inc. All rights reserved
(2r,4r,6r,7r,10r,11r,16r)-6-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadec-1(18)-ene-14,17-dione
2-[6-methyl-6-(4,8,8-trimethyl-7,12-dioxotridec-3-en-1-yl)-1,2-dioxan-3-yl]propanoic acid
(2r,4s,4ar,6ar,6br,8as,12as,12br,14ar,14br)-4-hydroxy-2,4a,6a,8a,12b,14a-hexamethyl-9-methylidene-2,4,5,6,6b,7,8,12,12a,13,14,14b-dodecahydro-1h-picen-3-one
(2e)-n-[(1s,3br,7s,9ar,9bs,11ar)-1-[(1s)-1-(dimethylamino)ethyl]-9a,11a-dimethyl-1h,2h,3bh,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]-2-methylbut-2-enimidic acid
(1r,2r,2''r,4as,5's,5''s,6s,8as)-2'',5''-dimethoxy-2,5,5,8a-tetramethyl-hexahydro-2h-dispiro[naphthalene-1,2':5',3''-bis(oxolane)]-6-yl acetate
methyl (2s)-2-[(3s,6s)-6-{2-[(1s,2r,4ar,8ar)-2-hydroxy-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalen-1-yl]ethyl}-6-methyl-1,2-dioxan-3-yl]propanoate
(4ar,4br,6ar,7r,10ar)-7-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-4a,6a-dimethyl-3h,4h,4bh,5h,6h,7h,8h,9h,11h-indeno[1,7a-a]naphthalene-2,10,12-trione
n-{9a,11a-dimethyl-1-[1-(methylamino)ethyl]-6-oxo-1h,2h,3h,3ah,3bh,4h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl}-2-methylbut-2-enimidic acid
1-{2-[2-(5,6-dimethylhept-3-en-2-yl)-1-methyl-5-oxocyclopentyl]ethyl}-8a-methyl-7,8-dihydro-1h-naphthalene-2,6-dione
(1r,3ar,7s,9as,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-7-hydroxy-9a,11a-dimethyl-1h,2h,3ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthrene-3,4-dione
(6as)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,6,7,8,8a,10,11,12,12b,13-dodecahydropicen-5-one
(4ar,6ar,6bs,8as,12ar,14ar,14br)-3-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,4a,5,6,7,8a,9,10,12,12a,14,14a-dodecahydropicene-2,8-dione
(2r)-2-[(3r,6r)-6-methyl-6-[(3e)-4,8,8-trimethyl-7,12-dioxotridec-3-en-1-yl]-1,2-dioxan-3-yl]propanoic acid
4-hydroxy-2,4a,6a,8a,12b,14a-hexamethyl-9-methylidene-2,4,5,6,6b,7,8,12,12a,13,14,14b-dodecahydro-1h-picen-3-one
(6-{7-[3-(3,4-dihydroxypentan-2-yl)-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl}-5-methyloxan-2-yl)acetic acid
(2s)-2-[(3r,6s)-6-methyl-6-(4,8,8-trimethyl-7,12-dioxotridec-3-en-1-yl)-1,2-dioxan-3-yl]propanoic acid
12-(2-hydroxy-3,5-dimethylphenyl)-6,10-dimethyl-2-(4-methylpent-3-en-1-yl)dodeca-2,6,10-trienoic acid
(12r,14s)-12,14-dihydroxy-1-(2,4,6-trihydroxyphenyl)octadecan-1-one
(1s,3r,6r,7r,10r,11r)-6-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadec-15-ene-14,17-dione
1-(furan-3-yl)-3b,6,6,9a,11a-pentamethyl-1h,2h,3h,3ah,4h,5h,5ah,7h,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
(2s)-2-{6-methyl-6-[(3e)-4,8,8-trimethyl-7,12-dioxotridec-3-en-1-yl]-1,2-dioxan-3-yl}propanoic acid
(2e)-n-[(1s,3as,3bs,9ar,9bs,11as)-9a,11a-dimethyl-1-[(1s)-1-(methylamino)ethyl]-6-oxo-1h,2h,3h,3ah,3bh,4h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]-2-methylbut-2-enimidic acid
1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2h-2,4-methanophthalene
{"Ingredient_id": "HBIN001019","Ingredient_name": "1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2h-2,4-methanophthalene","Alias": "NA","Ingredient_formula": "C25H44O5","Ingredient_Smile": "CC1CCC2C(CCCC2(C1(CCC3(CCC(O3)C(C)(C(=O)OC)O)C)O)C)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31098","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1β-hydroxyilicicacid
{"Ingredient_id": "HBIN002414","Ingredient_name": "1\u03b2-hydroxyilicicacid","Alias": "NA","Ingredient_formula": "C24H40O6","Ingredient_Smile": "CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(C(CC(C4)O)O)C)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10222","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
25-Nor-5(10)-dehydroisokarounidiol
{"Ingredient_id": "HBIN004692","Ingredient_name": "25-Nor-5(10)-dehydroisokarounidiol","Alias": "(3R,6aS,6bS,8aS,11R,12aR)-4,4,6a,6b,8a,11-hexamethyl-11-methylol-2,3,7,8,9,10,12,12a,13,14-decahydro-1H-picen-3-ol; (3R,6aS,6bS,8aS,11R,12aR)-11-(hydroxymethyl)-4,4,6a,6b,8a,11-hexamethyl-2,3,7,8,9,10,12,12a,13,14-decahydro-1H-picen-3-ol; AIDS-113416; AIDS113416; (3R,6bS,8aS,11R,12aR,12bS)-11-Hydroxymethyl-4,4,6b,8a,11,12b-hexamethyl-1,2,3,4,6b,7,8,8a,9,10,11,12,12a,12b,13,14-hexadecahydro-picen-3-ol","Ingredient_formula": "C29H44O2","Ingredient_Smile": "CC1(C(CCC2=C1C=CC3=C2CCC4(C3(CCC5(C4CC(CC5)(C)CO)C)C)C)O)C","Ingredient_weight": "424.7 g/mol","OB_score": "20.65665518","CAS_id": "NA","SymMap_id": "SMIT13130","TCMID_id": "NA","TCMSP_id": "MOL012370","TCM_ID_id": "NA","PubChem_id": "489922","DrugBank_id": "NA"}
2,8-dimethyl-2-[(3 e,7 e)-4,8,12-trimethyltrideca-3,7,11-trienyl]-5-formyl-chroman-6-ol
{"Ingredient_id": "HBIN005054","Ingredient_name": "2,8-dimethyl-2-[(3 e,7 e)-4,8,12-trimethyltrideca-3,7,11-trienyl]-5-formyl-chroman-6-ol","Alias": "NA","Ingredient_formula": "C28H40O3","Ingredient_Smile": "CC1=CC(=C(C2=C1OC(CC2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6414","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,8-dimethyl-2-[(3 e,7 e)-4,8,12-trimethyltrideca-3,7,11-trienyl]-7-formyl-chroman-6-ol
{"Ingredient_id": "HBIN005055","Ingredient_name": "2,8-dimethyl-2-[(3 e,7 e)-4,8,12-trimethyltrideca-3,7,11-trienyl]-7-formyl-chroman-6-ol","Alias": "NA","Ingredient_formula": "C28H40O3","Ingredient_Smile": "CC1=C2C(=CC(=C1C=O)O)CCC(O2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6415","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,6,7,12-tetrahydroxycholan-24-oic acid
{"Ingredient_id": "HBIN007696","Ingredient_name": "3,6,7,12-tetrahydroxycholan-24-oic acid","Alias": "NA","Ingredient_formula": "C24H40O6","Ingredient_Smile": "CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(C(C4C3(CCC(C4)O)C)O)O)O)C","Ingredient_weight": "424.57","OB_score": "NA","CAS_id": "80875-92-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8244","PubChem_id": "194157","DrugBank_id": "NA"}
4,6-di-o-acetylhygrophorone b14
{"Ingredient_id": "HBIN010079","Ingredient_name": "4,6-di-o-acetylhygrophorone b14","Alias": "NA","Ingredient_formula": "C24H40O6","Ingredient_Smile": "CCCCCCCCCCCCCCC(C1(C(C=CC1=O)OC(=O)C)O)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5337","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
