Exact Mass: 424.3036024
Exact Mass Matches: 424.3036024
Found 500 metabolites which its exact mass value is equals to given mass value 424.3036024,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Devazepide
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
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.
(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.
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
C25H46NO4 (424.34266560000003)
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
C25H45NO4 (424.34266560000003)
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.
(2R)-2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-ol
17-Estradiol cyclooctyl acetate
Camicinal
Sergolexole
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.
Apo-10-fucoxanthinal
(rel 5S,6R,8R,9R,10S,13S,15S,16R)-6-acetoxy-9,13;15,16-diepoxy-15,16-dimethoxylabdane
3beta-hydroxy-28-norolean-12,17-dien-16-one|3beta-hydroxy-28-noroleana-12,17-dien-16-one|Maragenin II
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
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
2-((2E,6E,10E)-5,13-dioxo-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)-6-methylhydroquinone|2-<(2E,6E,10E)-5,13-dioxo-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl>-6-methylhydroquinone|l5-Ketone,13-oxo-2-(5-Hydoxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-6-methyl-1,2-benzendiol
7beta,15-dihydroxy-17-succinyloxy-ent-cleroda-3-ene
(3beta)-3-hydroxy-24,30-dinoroleana-4(23),12,20(29)-trien-28-oic acid|paeonenoide B
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.
nor-27-hydroxy-1-oxowitha-2,5,24-trienolide|withalongolide F
dracaenol C|spirost-1(2),4(5),25(27)-triene-3-one-6beta-ol
(20R,22E,24R)-3beta-hydroxystigmasta-5,22,25-trien-7-one|stigmasta-5,22,25-trien-7-on-3beta-ol
6beta-benzoyl-13beta-hydroxy-12-methyl-9(12)a,9(12)b-dihomopodocarpane-19beta-al|dulcinodal
(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
strongylophorine 9|strongylophorine-2 methyl ether
N-(17-hydroxylinoleoyl)-L-glutamine
C23H40N2O5 (424.29370700000004)
(2E,6E,10E,14E)-1,6,10,14-tetramethyl-16-(5-methyl-3,6-dioxocyclohexa-1,4-dienyl)hexadeca-2,6,10,14-tetraenoic acid|menzoquinone
2-(1-oxo-dodeca-5,8,11,14,17(all Z)-pentaenyl)-5-methoxy-1,3-dihydroxybenzene|2-[1-oxo-dodeca-5,8,11,14,17(all Z)-pentaenyl]-5-methoxy-1,3-dihydroxybenzene|5-Me ether-(2,4,6-Trihydroxyphenyl)-5,8,11,14,17-eicosapentaen-1-one,9CI
5-hydroxy-cystofuranoquinol|5-Hydroxycystofuranoquinol
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
1,2-dihydrobrevione A|3-oxo-14,3-oxybrevia-12,2,4-triene 1,5-lactone|brevione B
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
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(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
C25H41FO4 (424.29887180000003)
(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
N-(17-hydroxy-9,12-octadecadienoyl)-glutamine
C23H40N2O5 (424.29370700000004)
(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
C25H41FO4 (424.29887180000003)
ST 24:1;O6
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
1,2-difluoro-4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]benzene
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
1,3-Bis(2,6-diisopropylphenyl)imidazolium chloride
withalongolide F
A steroid lactone that is a 4-norwithanolide with a 2,5-dien-1-one system isolated from the aerial parts of Physalis longifolia.
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
C25H46NO4+ (424.34266560000003)
[(2R)-3-carboxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl]-trimethylazanium
C25H46NO4+ (424.34266560000003)
[3-carboxy-2-[(10E,12E)-octadeca-10,12-dienoyl]oxypropyl]-trimethylazanium
C25H46NO4+ (424.34266560000003)
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
C25H46NO4+ (424.34266560000003)
[3-carboxy-2-[(6E,9E,12E)-15-carboxypentadeca-6,9,12-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,8E,11E)-15-carboxypentadeca-5,8,11-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2Z,6E,10E)-15-carboxypentadeca-2,6,10-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,5E,9E)-15-carboxypentadeca-2,5,9-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,9E,12E)-15-carboxypentadeca-3,9,12-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(9E,11E)-octadeca-9,11-dienoyl]oxypropyl]-trimethylazanium
C25H46NO4+ (424.34266560000003)
[3-carboxy-2-[(6E,9E)-octadeca-6,9-dienoyl]oxypropyl]-trimethylazanium
C25H46NO4+ (424.34266560000003)
[3-carboxy-2-[(2E,4E)-octadeca-2,4-dienoyl]oxypropyl]-trimethylazanium
C25H46NO4+ (424.34266560000003)
[3-Carboxy-2-[9-(3-methyl-5-propylfuran-2-yl)nonanoyloxy]propyl]-trimethylazanium
C24H42NO5+ (424.30628220000006)
[3-Carboxy-2-[5-(5-heptyl-3-methylfuran-2-yl)pentanoyloxy]propyl]-trimethylazanium
C24H42NO5+ (424.30628220000006)
[3-Carboxy-2-[7-(3-methyl-5-pentylfuran-2-yl)heptanoyloxy]propyl]-trimethylazanium
C24H42NO5+ (424.30628220000006)
[3-Carboxy-2-[8-(5-pentylfuran-2-yl)octanoyloxy]propyl]-trimethylazanium
C24H42NO5+ (424.30628220000006)
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
1-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-propan-2-ylurea
C20 phytosphingosine 1-phosphate(1-)
C20H43NO6P- (424.28278480000006)
N-butan-2-yl-N-[2-(3,5-dimethyl-1-piperidinyl)-4-methyl-6-quinolinyl]butanediamide
1-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-propan-2-ylurea
(2E,6E)-9-[(2S)-6-hydroxy-2,8-dimethylchromen-2-yl]-6-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienoic acid
(2E,6E)-9-[(2R)-6-hydroxy-2,8-dimethylchromen-2-yl]-6-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienoic acid
1-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-propan-2-ylurea
(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-10-[[methyl(propyl)amino]methyl]-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-14-one
(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
C25H46NO4+ (424.34266560000003)
[3-carboxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxypropyl]-trimethylazanium
C25H46NO4+ (424.34266560000003)
[3-Hydroxy-2-(pentanoylamino)nonyl] 2-(trimethylazaniumyl)ethyl phosphate
C19H41N2O6P (424.27020960000004)
[2-(Butanoylamino)-3-hydroxydecyl] 2-(trimethylazaniumyl)ethyl phosphate
C19H41N2O6P (424.27020960000004)
(2-Acetamido-3-hydroxydodecyl) 2-(trimethylazaniumyl)ethyl phosphate
C19H41N2O6P (424.27020960000004)
[3-Hydroxy-2-(propanoylamino)undecyl] 2-(trimethylazaniumyl)ethyl phosphate
C19H41N2O6P (424.27020960000004)
[2-(Hexanoylamino)-3-hydroxyoctyl] 2-(trimethylazaniumyl)ethyl phosphate
C19H41N2O6P (424.27020960000004)
(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
Devapamil
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
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
DG(22:2)
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
3-methoxytricyclo[20.2.2.0²,⁷]hexacosa-1(24),2(7),3,5,13,22,25-heptaene-5,24,25-triol
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
16-(2,5-dihydroxy-3-methylphenyl)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene-4,12-dione
(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
(13z)-3-methoxytricyclo[20.2.2.0²,⁷]hexacosa-1(24),2(7),3,5,13,22,25-heptaene-5,24,25-triol
(4r,5r)-4-{10-[(2s,5r,6r)-5-hydroxy-3,5,6-trimethyl-2,6-dihydropyran-2-yl]undeca-1,3,5,7,9-pentaen-1-yl}-2-(hydroxymethyl)-4,5-dimethylcyclopent-2-en-1-one
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
2',4'b,6,7,8',8',10'a-heptamethyl-4'a,5',6',8'a,9',10'-hexahydro-3h,4'h-spiro[furo[3,2-c]pyran-2,1'-phenanthrene]-4,7'-dione
5-hydroxy-2,6,6,13-tetramethyl-12-oxotetracyclo[11.2.1.0¹,¹⁰.0²,⁷]hexadecan-8-yl benzoate
(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
(2z,6e,10e)-6,10-dimethyl-12-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-2-(4-methylpent-3-en-1-yl)dodeca-2,6,10-trienoic 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
(4r,5r)-4-[(1e,3e,5e,7e,9e)-10-[(2s,5r,6r)-5-hydroxy-3,5,6-trimethyl-2,6-dihydropyran-2-yl]undeca-1,3,5,7,9-pentaen-1-yl]-2-(hydroxymethyl)-4,5-dimethylcyclopent-2-en-1-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"}