Exact Mass: 304.2169
Exact Mass Matches: 304.2169
Found 500 metabolites which its exact mass value is equals to given mass value 304.2169,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
7a-Hydroxytestosterone
4-Hydroxytestosterone is the 17-hydroxylated analog to formestane. It is commercially available on the internet as anabolic steroid for oral self-administration and does not have any therapeutic indication. Hence, only little information is available about its metabolism. So far, most studies dealt with 4-hydroxytestosterone as metabolite of formestane while one study investigated the glucuronic acid conjugates of metabolic products of 4-hydroxytestosterone. This substance is prohibited in sports by the World Anti-Doping Agency; there is to a considerable increase of structurally related steroids with anabolic effects offered via the internet. 4-Hydroxytestosterone is a metabolite of the steroidal aromatase inhibitor 4-hydroxyandrost-4-ene-3,17-dione (4OHA). (PMID: 17724580, 17610244, 17207827, 1284430) [HMDB] 4-Hydroxytestosterone is the 17-hydroxylated analog to formestane. It is commercially available on the internet as anabolic steroid for oral self-administration and does not have any therapeutic indication. Hence, only little information is available about its metabolism. So far, most studies dealt with 4-hydroxytestosterone as metabolite of formestane while one study investigated the glucuronic acid conjugates of metabolic products of 4-hydroxytestosterone. This substance is prohibited in sports by the World Anti-Doping Agency; there is to a considerable increase of structurally related steroids with anabolic effects offered via the internet. 4-Hydroxytestosterone is a metabolite of the steroidal aromatase inhibitor 4-hydroxyandrost-4-ene-3,17-dione (4OHA). (PMID: 17724580, 17610244, 17207827, 1284430).
Arachidonic acid
Arachidonic acid is a polyunsaturated, essential fatty acid that has a 20-carbon chain as a backbone and four cis-double bonds at the C5, C8, C11, and C14 positions. It is found in animal and human fat as well as in the liver, brain, and glandular organs, and is a constituent of animal phosphatides. It is synthesized from dietary linoleic acid. Arachidonic acid mediates inflammation and the functioning of several organs and systems either directly or upon its conversion into eicosanoids. Arachidonic acid in cell membrane phospholipids is the substrate for the synthesis of a range of biologically active compounds (eicosanoids) including prostaglandins, thromboxanes, and leukotrienes. These compounds can act as mediators in their own right and can also act as regulators of other processes, such as platelet aggregation, blood clotting, smooth muscle contraction, leukocyte chemotaxis, inflammatory cytokine production, and immune function. Arachidonic acid can be metabolized by cytochrome p450 (CYP450) enzymes into 5,6-, 8,9-, 11,12-, and 14,15-epoxyeicosatrienoic acids (EETs), their corresponding dihydroxyeicosatrienoic acids (DHETs), and 20-hydroxyeicosatetraenoic acid (20-HETE). The production of kidney CYP450 arachidonic acid metabolites is altered in diabetes, pregnancy, hepatorenal syndrome, and in various models of hypertension, and it is likely that changes in this system contribute to the abnormalities in renal function that are associated with many of these conditions. Phospholipase A2 (PLA2) catalyzes the hydrolysis of the sn-2 position of membrane glycerophospholipids to liberate arachidonic acid (PMID: 12736897, 12736897, 12700820, 12570747, 12432908). The beneficial effects of omega-3 fatty acids are believed to be due in part to selective alteration of arachidonate metabolism that involves cyclooxygenase (COX) enzymes (PMID: 23371504). 9-Oxononanoic acid (9-ONA), one of the major products of peroxidized fatty acids, was found to stimulate the activity of phospholipase A2 (PLA2), the key enzyme to initiate the arachidonate cascade and eicosanoid production (PMID: 23704812). Arachidonate lipoxygenase (ALOX) enzymes metabolize arachidonic acid to generate potent inflammatory mediators and play an important role in inflammation-associated diseases (PMID: 23404351). Essential fatty acid. Constituent of many animal phospholipids Arachidonic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=506-32-1 (retrieved 2024-07-15) (CAS RN: 506-32-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Arachidonic acid is an essential fatty acid and a major constituent of biomembranes. Arachidonic acid is an essential fatty acid and a major constituent of biomembranes.
11-Ketoetiocholanolone
11-Ketoetiocholanolone is an endogenous anabolic androgenic steroid. The concentration ratio of 11-hydroxyetiocholanolone/11-hydroxyandrosterone is increased in patients with uterine leiomyomas, and it appears to be caused by a decrease in patients metabolite of steroids. The concentration of 11-Ketoetiocholanolone is significantly higher in these patients. There is a relationship between urinary endogenous steroid metabolites and lower urinary tract function related to the residual vol. in uroflowmetry in postmenopausal women. (PMID: 15808004, 14698830, 12728469) [HMDB] 11-Ketoetiocholanolone is an endogenous anabolic androgenic steroid. The concentration ratio of 11-hydroxyetiocholanolone/11-hydroxyandrosterone is increased in patients with uterine leiomyomas, and it appears to be caused by a decrease in patients metabolite of steroids. The concentration of 11-Ketoetiocholanolone is significantly higher in these patients. There is a relationship between urinary endogenous steroid metabolites and lower urinary tract function related to the residual volume in uroflowmetry in postmenopausal women. (PMID: 15808004, 14698830, 12728469). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
16a-Hydroxydehydroisoandrosterone
16a-Hydroxydehydroisoandrosterone is a metabolite present during pregnancy with increased concentrations as it progresses (PMID 6461703). A reduced level of 16a-Hydroxydehydroisoandrosterone is observed in cases of Placental sulfatase deficiency (PSD), a rare disorder with low estrogen production due to placental enzymatic deficiency. (PMID 2150812) [HMDB] 16a-Hydroxydehydroisoandrosterone is a metabolite present during pregnancy with increased concentrations as it progresses (PMID 6461703). A reduced level of 16a-Hydroxydehydroisoandrosterone is observed in cases of Placental sulfatase deficiency (PSD), a rare disorder with low estrogen production due to placental enzymatic deficiency. (PMID 2150812). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
6beta-Hydroxytestosterone
Testosterone is reported to have an acute vasodilating action in vitro, an effect that may impart a favourable haemodynamic response in patients with chronic heart failure.
Oryzalexin E
Oryzalexin E is found in rice. Phytoalexin from rice leaves. Phytoalexin from rice leaves. Oryzalexin E is found in rice.
w Hydroxy testosterone
This compound belongs to the family of Androgens and Derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans
taxa-4(20),11-dien-5alpha,13alpha-diol
A taxane diterpenoid that is taxane which contains double bounds at the 4-20 and 11-12 positions and which is substituted by hydroxy groups at the 5alpha and 13alpha positions.
Protandren
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid Same as: D08196
Drostanolone
Drostanolone is only found in individuals that have used or taken this drug. It is a potent synthetic androgenic anabolic steroid similar to testosterone. Drostanolone is indicated in postmenopausal women with recurrent breast cancer, in a combined hormone therapy.Dromostanolone is a synthetic androgenic anabolic steroid and is approximately 5 times as potent as natural methyltestosterone. Like testosterone and other androgenic hormones, dromostanolone binds to the androgen receptor. This causes downstream genetic transcriptional changes. This ultimately causes retention of nitrogen, potassium, and phosphorus; increases protein anabolism; and decreases amino acid catabolism. The antitumour activity of dromostanolone appears related to reduction or competitive inhibition of prolactin receptors or estrogen receptors or production. C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid
1,2,4,5-Tetrahydrotestolactone
17-Methyl-5alpha-androst-2-ene-1alpha,17beta-diol
11beta-Hydroxytestosterone
11beta-Hydroxytestosterone is a Testosterone derivative metabolite. Testosterone is reported to have an acute vasodilating action in vitro, an effect that may impart a favourable haemodynamic response in patients with chronic heart failure. [HMDB] 11beta-Hydroxytestosterone is a Testosterone derivative metabolite. Testosterone is reported to have an acute vasodilating action in vitro, an effect that may impart a favourable haemodynamic response in patients with chronic heart failure.
7a-Hydroxydehydroepiandrosterone
7a-Hydroxydehydroepiandrosterone is a major metabolite of dehydroepiandrosterone (DHEA), which is is 7alpha-hydroxylated by the cytochrome P450 7B1 (EC 1.14.13.100, 25-hydroxycholesterol 7alpha-hydroxylase, CYP7B1) in the human brain and liver microsomes. Exposure to the proinflammatory cytokines TNFalpha, IL-1alpha, IL-1beta, and IL-17 increases CYP7B activity in synovial tissue. Increased CYP7B activity leads to higher levels of the DHEA metabolite 7alpha-OH-DHEA in synovial fluid, which may contribute to the maintenance of the chronic inflammation observed in rheumatoid arthritis patients. The glucocorticoid dhydrocorticosterone inhibits the conversion of DHEA to 7a-Hydroxydehydroepiandrosterone. The total levels of 7a-Hydroxydehydroepiandrosterone are increased in serum of patients with Alzheimers disease. (PMID: 17467270, 15751070, 12667489, 9520908) [HMDB] 7a-Hydroxydehydroepiandrosterone is a major metabolite of dehydroepiandrosterone (DHEA), which is is 7alpha-hydroxylated by the cytochrome P450 7B1 (EC 1.14.13.100, 25-hydroxycholesterol 7alpha-hydroxylase, CYP7B1) in the human brain and liver microsomes. Exposure to the proinflammatory cytokines TNFalpha, IL-1alpha, IL-1beta, and IL-17 increases CYP7B activity in synovial tissue. Increased CYP7B activity leads to higher levels of the DHEA metabolite 7alpha-OH-DHEA in synovial fluid, which may contribute to the maintenance of the chronic inflammation observed in rheumatoid arthritis patients. The glucocorticoid dhydrocorticosterone inhibits the conversion of DHEA to 7a-Hydroxydehydroepiandrosterone. The total levels of 7a-Hydroxydehydroepiandrosterone are increased in serum of patients with Alzheimers disease. (PMID: 17467270, 15751070, 12667489, 9520908). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Oryzalexin D
A tricyclic diterpenoid that is ent-sandaracopimaradiene bearing two additional hydroxy substituents at the 3alpha- and 7beta-positions.
12-epi-fischerindole U
A tetracyclic indole alkaloid that is produced by the Stigonematales genus of cyanobacteria.
hapalindole U
A hapalindole that is hapalindole H in which the octahydronaphthalene ring junction carbons both have S configuration instead of R.
Mesterolone
Mesterolone is a synthetic anabolic androgenic steroid (AAS) with reported abuses in human sports. As for other AAS, mesterolone is also a potential doping agent in equine sports. In humans, mesterolone exhibits no inhibitory effects on hypophysial gonadotropin secretion or on spermatogenesis, unlike most androgens. Mesterolone has been used in the treatment of primary nocturnal enuresis in boys six to ten years of age. Mesterolone probably modulates the autonomic innervation of the vesical musculature with correction of the defective neural mechanism which is believed to be implicated in the pathogenesis of nocturnal enuresis. Mesterolone has been utilized in hypogonadism patients to increase total ejaculation volume and the concentration of fructose in the spermatic plasma to normal levels. Mesterolone treatment decreases cholesterol, beta-lipoproteins, fatty acid esters, free fatty acids, triglycerides and glycerol in human serum. (PMID: 4880965, 17616252, 10796496, 17636603, 2087834, 6111418, 6142498, 6386424, 7558381, 792898) [HMDB] Mesterolone is a synthetic anabolic androgenic steroid (AAS) with reported abuses in human sports. As for other AAS, mesterolone is also a potential doping agent in equine sports. In humans, mesterolone exhibits no inhibitory effects on hypophysial gonadotropin secretion or on spermatogenesis, unlike most androgens. Mesterolone has been used in the treatment of primary nocturnal enuresis in boys six to ten years of age. Mesterolone probably modulates the autonomic innervation of the vesical musculature with correction of the defective neural mechanism which is believed to be implicated in the pathogenesis of nocturnal enuresis. Mesterolone has been utilized in hypogonadism patients to increase total ejaculation volume and the concentration of fructose in the spermatic plasma to normal levels. Mesterolone treatment decreases cholesterol, beta-lipoproteins, fatty acid esters, free fatty acids, triglycerides and glycerol in human serum. (PMID: 4880965, 17616252, 10796496, 17636603, 2087834, 6111418, 6142498, 6386424, 7558381, 792898). G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03B - Androgens > G03BB - 5-androstanon (3) derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
11beta,17beta-Dihydroxy-4-androsten-3-one
This compound belongs to the family of Androgens and Derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.
Sodium Oleate
Binder, emulsifier, anticaking agent Sodium oleate (Oleic acid sodium) is an abundant monounsaturated fatty acid sodium[1]. Sodium oleate is a Na+/K+ ATPase activator[2]. Sodium oleate (Oleic acid sodium) is an abundant monounsaturated fatty acid sodium[1]. Sodium oleate is a Na+/K+ ATPase activator[2].
hapalindole H
A tetracyclic hapalindole alkaloid that is produced by the Stigonematales genus of cyanobacteria.
ent-cassa-12,15-dien-2beta,3beta-diol
A diterpenoid that is ent-cassa-12,15-diene in which the hydrogens at positions 2beta and 3beta have been replaced by hydroxy groups.
12-epi-Hapalindole U
A tetracyclic hapalindole that is hapalindole U in which the carbon bearing the vinyl group has S configuration instead of R. It is produced by the Stigonematales genus of cyanobacteria.
ST 19:2;O3
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones A 17beta-hydroxy steroid that is testosterone bearing an additional hydroxy substituent at the 6beta-position. C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist
Mesterolone
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03B - Androgens > G03BB - 5-androstanon (3) derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone ATC code: G03BB01
cis-[8]-Shogaol
cis-[8]-Shogaol is found in ginger. cis-[8]-Shogaol is isolated from ginger (Zingiber officinale) [DFC] (Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC. [8]-Shogaol is a monomethoxybenzene, an enone and a member of phenols. (8)-Shogaol is a natural product found in Zingiber officinale with data available. See also: Ginger (part of). Constituent of grains of paradise (Amomum melegueta) and (Zingiber officinale) [DFC]. [8]-Shogaol is found in ginger. [8]-Shogaol, one of the pungent phenolic compounds in ginger, exhibits anti-platelet activity (IC50=5 μM) and inhibits COX-2 (IC50=17.5 μM). [8]-Shogaol induces apoptosis in human leukemia cells[1][2][3][4]. [8]-Shogaol, one of the pungent phenolic compounds in ginger, exhibits anti-platelet activity (IC50=5 μM) and inhibits COX-2 (IC50=17.5 μM). [8]-Shogaol induces apoptosis in human leukemia cells[1][2][3][4].
ent-17-Hydroxy-16beta-kauran-19-al
ent-17-Hydroxy-16beta-kauran-19-al is found in fruits. ent-17-Hydroxy-16beta-kauran-19-al is isolated from Annona squamosa (sugar apple). Isolated from Annona squamosa (sugar apple). ent-17-Hydroxy-16b-kauran-19-al is found in fruits.
19-Hydroxytestosterone
19-Hydroxytestosterone is an intermediate in Androgen and estrogen metabolism. 19-Hydroxytestosterone is the 4th to last step in the synthesis of 16-Glucuronide-estriol. It is generated from Testosterone via the enzyme cytochrome P450 (EC 1.14.14.1) and then converted to 19-Oxotestosterone.
10-Acetoxy-8-heptadecene-4,6-diyn-3-ol
10-Acetoxy-8-heptadecene-4,6-diyn-3-ol is found in tea. 10-Acetoxy-8-heptadecene-4,6-diyn-3-ol is a constituent of Panax ginseng (ginseng). Constituent of Panax ginseng (ginseng). 10-Acetoxy-8-heptadecene-4,6-diyn-3-ol is found in tea.
Cis-8,11,14,17-Eicosatetraenoic acid
Cis-8,11,14,17-Eicosatetraenoic acid is an eicosanoid present in marine lipids, a minor n-3 polyunsaturated fatty acid (PUFA) which is a position isomer of 20:4n-6. n-3 PUFA contained in marine lipids appear to have a protective effect against coronary heart disease and thrombosis. Human platelets metabolize 8,11,14,17-eicosatetraenoic acid primarily into 12-hydroxy-8,10,14,17-eicosatetraenoic acid. The eicosanoids are a diverse family of molecules that have powerful effects on cell function. They are best known as intercellular messengers, having autocrine and paracrine effects following their secretion from the cells that synthesize them. The diversity of possible products that can be synthesized from eicosatrienoic acid is due, in part to the variety of enzymes that can act on it. Studies have placed many, but not all, of these enzymes at or inside the nucleus. In some cases, the nuclear import or export of eicosatrienoic acid-processing enzymes is highly regulated. Furthermore, nuclear receptors that are activated by specific eicosanoids are known to exist. Taken together, these findings indicate that the enzymatic conversion of eicosatrienoic acid to specific signaling molecules can occur in the nucleus, that it is regulated, and that the synthesized products may act within the nucleus. PMID: 3109494, 8142566, 16574479, 15896193, 10037447). Trans fatty acids are characteristically produced during industrial hydrogenation of plant oils. Cis-8,11,14,17-Eicosatetraenoic acid is an eicosanoid present in marine lipids, a minor n-3 polyunsaturated fatty acid (PUFA) which is a position isomer of 20:4n-6. n-3 PUFA contained in marine lipids appear to have a protective effect against coronary heart disease and thrombosis. Human platelets metabolize 8,11,14,17-eicosatetraenoic acid primarily into 12-hydroxy-8,10,14,17-eicosatetraenoic acid. The eicosanoids are a diverse family of molecules that have powerful effects on cell function. They are best known as intercellular messengers, having autocrine and paracrine effects following their secretion from the cells that synthesize them. The diversity of possible products that can be synthesized from eicosatrienoic acid is due, in part to the variety of enzymes that can act on it. Studies have placed many, but not all, of these enzymes at or inside the nucleus. In some cases, the nuclear import or export of eicosatrienoic acid-processing enzymes is highly regulated. Furthermore, nuclear receptors that are activated by specific eicosanoids are known to exist. Taken together, these findings indicate that the enzymatic conversion of eicosatrienoic acid to specific signaling molecules can occur in the nucleus, that it is regulated, and that the synthesized products may act within the nucleus. PMID: 3109494, 8142566, 16574479, 15896193, 10037447)
7,13-Eperudien-15-oic acid
7,13-Eperudien-15-oic acid is found in fruits. 7,13-Eperudien-15-oic acid is a constituent of Hymenaea courbaril (copinol). Constituent of Hymenaea courbaril (copinol). 7,13-Eperudien-15-oic acid is found in fruits.
Copalic acid
Copalic acid is found in fruits. Copalic acid is a constituent of Hymenaea courbaril (copinol). Constituent of Hymenaea courbaril (copinol). Copalic acid is found in fruits.
Oryzalexin S
Oryzalexin S is found in cereals and cereal products. Oryzalexin S is a constituent of rice plants infected with Pyricularia oryzae. Constituent of rice plants infected with Pyricularia oryzae. Oryzalexin S is found in cereals and cereal products and rice.
Ginsenoyne G
Ginsenoyne G is found in tea. Ginsenoyne G is isolated from ginseng root. Isolated from ginseng root. Ginsenoyne G is found in tea.
16-Oxoandrostenediol
16-Oxoandrostenediol is a naturally occurring androgenic steroid hormone generated by the adrenal glands. It has been found in the urine of newborn infants. Secretion of this steroid is suppressed by dexamethasone. Levels of this hormone are almost absent by 5 months of age. ((Steroids (1964), 3(1), 77-83.) ). 16-Oxoandrostenediol is a natural hormone with androgenic activity and that two potent antiandrogens: hydroxyflutamide (Eulexin) and bicalutamide (Casodex). 16-Oxoandrostenediol is a naturally occurring androgenic steroid hormone generated by the adrenal glands. It has been found in the urine of newborn infants. Secretion of this steroid is suppressed by dexamethasone. Levels of this hormone are almost absent by 5 months of age. ((Steroids (1964), 3(1), 77-83.) )
Sideridiol
Sideridiol is a constituent of Sideritis species. Constituent of Sideritis subspecies
Junicedral
Junicedral is found in fruits. Junicedral is isolated from Juniperus communis (juniper). Isolated from Juniperus communis (juniper). Junicedral is found in fruits.
Yucalexin P21
Yucalexin P21 is found in root vegetables. Yucalexin P21 is a constituent of cassava roots (Manihot esculenta). Constituent of cassava roots (Manihot esculenta). Yucalexin P21 is found in root vegetables.
3alpha,16beta-Dihydroxyandrostenone
3alpha,16beta-Dihydroxyandrostenone belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. Thus, 3alpha,16beta-dihydroxyandrostenone is considered to be a steroid lipid molecule. 3alpha,16beta-Dihydroxyandrostenone is an unusual steroid found in the urinary excretion of a subject having a virilizing malignant adrenocortical tumor; apparent 21-steroid hydroxylase deficiency is discussed in the light of these results as well as the hormonogenesis enzymatic induction of the tumour biopsy (PMID: 198067). 3a,16b-Dihydroxyandrostenone is an unusual steroid found in the urinary excretion of a subject having a virilizing malignant adrenocortical tumor; apparent 21-steroid hydroxylase deficiency is discussed at the light of these results and of the hormonogenesis enzymatic induction of the tumour biopsy. (PMID 198067) [HMDB]
3alpha,16alpha-Dihydroxyandrostenone
3alpha,16alpha-Dihydroxyandrostenone belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. Thus, 3alpha,16alpha-dihydroxyandrostenone is considered to be a steroid lipid molecule. 3alpha,16alpha-Dihydroxyandrostenone is the most abundant single urinary metabolite of 16alpha-hydroxydehydroisoandrosterone present in normal, non-pregnant humans (PMID: 6049445). 3alpha,16alpha-Dihydroxyandrostenone was found in the urine sample from a patient who had an inoperable asymptomatic adrenal carcinoma and who excreted about 5 mg/day (PMID: 4733093). 3alpha,16-Dihydroxyandrostenone is a urinary C19 steroid usually present at a very low level in normal pregnancy; however, it is increased in women with androgenic alopecia (PMID: 10751586). 3a,16a-Dihydroxyandrostenone is the most abundant single urinary metabolite of 16a-hydroxydehydroisoandrosterone (PMID 6049445), present in normal, non-pregnant human. It was found in the urine sample from a patient who had an inoperable asymptomatic adrenal carcinoma and who excreted about 5 mg/day (PMID 4733093) [HMDB]
7b-Hydroxydehydroepiandrosterone
7b-Hydroxydehydroepiandrosterone is one of the major metabolites of dehydroepiandrosterone. Dehydroepiandrosterone (DHEA) is a precursor of testosterone. DHEA) is 7a-hydroxylated by the cytochrome P450 7B1 (CYP7B1) in the human brain and liver. This produces 7a-hydroxy-DHEA that is a substrate for 11b-hydroxysteroid dehydrogenase type 1 (11b-HSD1) which exists in the same tissues and carries out the inter-conversion of 7a- and 7b-hydroxy-DHEA through a 7-oxo-intermediary. Both 7a-hydroxy-DHEA and 7b-hydroxy-DHEA competitively inhibited the cortisol oxidation, 7b-hydroxy-DHEA being seven times more potent in humans. Distinct species-specific routes of metabolism of DHEA and the interconversion of its metabolites obviate extrapolation of animal studies to humans. (PMID: 17467270, 12667489) [HMDB] 7b-Hydroxydehydroepiandrosterone is one of the major metabolites of dehydroepiandrosterone. Dehydroepiandrosterone (DHEA) is a precursor of testosterone. DHEA) is 7a-hydroxylated by the cytochrome P450 7B1 (CYP7B1) in the human brain and liver. This produces 7a-hydroxy-DHEA that is a substrate for 11b-hydroxysteroid dehydrogenase type 1 (11b-HSD1) which exists in the same tissues and carries out the inter-conversion of 7a- and 7b-hydroxy-DHEA through a 7-oxo-intermediary. Both 7a-hydroxy-DHEA and 7b-hydroxy-DHEA competitively inhibited the cortisol oxidation, 7b-hydroxy-DHEA being seven times more potent in humans. Distinct species-specific routes of metabolism of DHEA and the interconversion of its metabolites obviate extrapolation of animal studies to humans. (PMID: 17467270, 12667489). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
2beta-Hydroxytestosterone
2beta-Hydroxytestosterone is a Testosterone derivative metabolite. Testosterone is reported to have an acute vasodilating action in vitro, an effect that may impart a favourable haemodynamic response in patients with chronic heart failure.
1-Hydroxytestosterone
15-Hydroxytestosterone
16beta-Hydroxydehydroepiandrosterone
2,6,10,14-Hexadecatetraenoic acid, 3,7,11,15-tetramethyl-, (Z,E,E)-
4-Androsten-6-beta,17-beta-diol-3-one
4-Hydroxytestosterone
2-Piperidinecarboxamide, 1-butyl-N-(4-hydroxy-2,6-dimethylphenyl)-
3beta,7-Dihydroxyandrosta-5-ene-17-one
7alpha,17beta-Dihydroxyandrost-4-en-3-one
11,17beta-Dihydroxyandrost-4-en-3-one
Quinupramine
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant
(8R,9S,10S,13S,14S,17S)-17-Hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3-dione
Vadocaine
C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Oryzalexin D
Oryzalexin d, also known as 3alpha,7beta-dihydroxy-ent-sandaracopimaradiene or ent-sandaracopimaradien-3alpha,7beta-diol, is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Oryzalexin d is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Oryzalexin d can be found in rice, which makes oryzalexin d a potential biomarker for the consumption of this food product.
Oryzalexin F
Oryzalexin f is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Oryzalexin f is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Oryzalexin f can be found in rice, which makes oryzalexin f a potential biomarker for the consumption of this food product.
abietadiene-diol
Abietadiene-diol is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Abietadiene-diol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Abietadiene-diol can be found in a number of food items such as tea leaf willow, peppermint, common oregano, and sea-buckthornberry, which makes abietadiene-diol a potential biomarker for the consumption of these food products.
FA 20:4
Chemical was purchased from CAY 90010 (Lot. 0447254-11); Diagnostic ions:303.1, 259.2, 205.2 Acquisition and generation of the data is financially supported in part by CREST/JST. relative retention time with respect to 9-anthracene Carboxylic Acid is 1.604 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.605 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.603 COVID info from WikiPathways Annotation level-2 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Arachidonic acid is an essential fatty acid and a major constituent of biomembranes. Arachidonic acid is an essential fatty acid and a major constituent of biomembranes.
Aleuritic_acid
Aleuretic Acid is a long-chain fatty acid. Aleuritic acid ((±)-erythro-Aleuritic acid) is a major ingredient in Croton crassifolius Geisel. and used in the perfumery industry[1]. Aleuritic acid ((±)-erythro-Aleuritic acid) is a major ingredient in Croton crassifolius Geisel. and used in the perfumery industry[1].
(2aR,3S,5aS,6R,8aR,9aR,10aS)-Dodecahydro-3,8a,10a-trimethyl-6-(1-methylethyl)-2H-cyclopenta[6 inverted exclamation marka,7 inverted exclamation marka]cycloocta[1 inverted exclamation marka,2 inverted exclamation marka:1,5]cyclopent[1,2-b]oxiren-2-one
ent-15-Nor-14-oxo-8(17),12E-labdadiene-18-oic acid
15-Hydroxy-11,16-epoxy-9,10-seco-ent-labda-8E,13Z,10(20)-triene
2alpha,3alpha-Dihydroxy-1(15),8(19)-trinervitadiene
ent-8(14),15-sandaracopimaradiene-2alpha,18-diol
4,4,6,7-Tetramethyl-8-(3-methyl-5-hydroxypentyl)tetralin-3-ol
2beta,3alpha-Dihydroxy-1(15),8(19)-trinervitadiene
Quinupramine
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant
2-Piperidinecarboxamide, 1-butyl-N-(3-hydroxy-2,6-dimethylphenyl)-
Aleuritic acid
Origin: Animal; SubCategory_DNP: Lipids, Fatty acids Aleuritic acid ((±)-erythro-Aleuritic acid) is a major ingredient in Croton crassifolius Geisel. and used in the perfumery industry[1]. Aleuritic acid ((±)-erythro-Aleuritic acid) is a major ingredient in Croton crassifolius Geisel. and used in the perfumery industry[1].
16beta-Hydroxy-5alpha-androstan-3,6-dion|16beta-hydroxy-5alpha-androstane-3,6-dione
11alpha-Hydroxy-5alpha-androstan-3,16-dion|11alpha-hydroxy-5alpha-androstane-3,16-dion
(13beta,14beta)-13,14-Epoxy-4-hydroxy-19-nor-7-abieten-6-one
caribenol B
A cyclic terpene ketone that is 2a,3,4,5,5a,6,7,8-octahydroacenaphthylen-1(2H)-one substituted by hydroxy groups at positions 2 and 2a, methyl groups at positions 2, 5 and 8 and a 2-methylprop-1-en-1-yl group at position 3. It is isolated from the the West Indian gorgonian octocoral Pseudopterogorgia elisabethae and exhibits antitubercular and antimalarial activity.
Ac-15alpha-15-Hydroxy-17-nor-5,6-seco-7,9(11)-spongiadien-16,15-olide
Flavoglaucin
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates A natural product found in Eurotium repens.
19-norisopimara-4(18),8(14),15-triene-2alpha,7beta,17-triol
4-Oxo-Delta9,Delta11,Delta13,Delta15-octadecatetraen-saeure-methylester
10alpha,19-dihydroxy-15,16-epoxy-8(17),13(16),14-nor-ent-labdatriene|10??,19-Dihydroxy-15,16-epoxy-8(17),13(16),14-nor-ent-labdatriene
18-nor-abieta-8,11,13-triene-4alpha,7alpha,15-triol
6,7,16-trihydroxy-hexadecanoic acid|6,7,16-Trihydroxy-hexadecansaeure|6,7,16-Trihydroxyhexadecansaeure
(E)-2-(hept-1-enyl)-3-(hydroxymethyl)-5-(3-methylbut-2-enyl)benzene-1,4-diol|repenol A
(4E,6R,7R,11S)-6,7-dihydroxy-4,15,15-trimethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-dien-2-one|cespitulin E
(rel-8R)-9-oxo-9,10-seco-labda-5(10),13-dien-15,16-olide|vitextrifolin E
4-Epimer,4-hydroperoxide,7alpha-alcohol-4-Hydroxy-18-nor-8,11,13-abietatrien-7-one|7alpha-hydroxy-19-norabieta-8,11,13-triene-4-hydroperoxide
(+/-)-8-{4-oxo-5-[E-pent-2-en-E-ylidene]cyclopent-2-enyl}octanoic acid methyl ester|methyl 8-<(2E)-3-oxo-2-((E)-2-pentenylidene)-4-cyclopentenyl>octanoate
ent-15-nor-14-oxo-3,4-seco-4,8,12(E)-labdatrien-3-oic acid
methyl ent-2,4-seco-4-oxo-3,19-dinorbeyer-15-en-2-oate
1-Ac-(E)-8-Heptadecene-4,6-diyne-1,10-diol|17-acetoxy-heptadec-9t-ene-11,13-diyn-8-ol|Heptadecen-(8t)-diin-(4,6)-diol-(1,10)-monoacetat-(1)|trans-1-Acetoxy-heptadecen-(8)-diin-(4.6)-ol-(10)
10,11,15-trihydroxy-hexadecanoic acid|10,11,15-Trihydroxy-hexadecansaeure|9.10.14-Trioxy-pentadecan-carbonsaeure-(1)|Hexadecantriol-(10.11.15)-saeure-(1)|iota.chi.xi-Trioxy-palmitinsaeure|iota.kappa.xi-Trioxy-palmitinsaeure|iota.kappa.xi-Trioxy-pentadecan-alpha-carbonsaeure
(-)-methyl 13-oxo-15,16-dinorlabda-8(17),11E-dien-19-oate|14,15-bisnor-13-oxo-8(17),11(E)-labdadien-19-oic acid methyl ester|15,16-dinorlabda-8(20),11E-dien-13-one-19-oic acid methyl ester|methyl 13-oxo-14,15-dinorlabda-8(17),11E-dien-19-oate
2-heptyl-3,6-dihydroxy-5-(3-methylbut-2-enyl)benzaldehyde
(E)-1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-one
C19H28O3_5,9-Dimethyl-14-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-5-carboxylic acid
(E)-1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-one [IIN-based on: CCMSLIB00000849054]
(E)-1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-one [IIN-based: Match]
4-Hydroxytestosterone
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist
(5S,8R,9S,10S)-18-nor-cleroda-13-en-16,15-olide-3-one
(5S,8R,9S,10S)-18-nor-cleroda-13-en-16,15-olide-4-one
2-(2,2,2-Trimethylacetamido) pyridine-3-boronic acid pinacol ester
(4-methoxyphenyl) 4-pentylcyclohexane-1-carboxylate
5-Methoxy-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine
TERT-BUTYL (1-BENZYLPIPERIDIN-4-YL)(METHYL)CARBAMATE
(S)-1-PYRROLIDIN-2-(1H-INDOL-3YLMETHYL)-2-(N-CBZ-N-METHYL)AMINO-ETHANE
5-(Morpholinomethyl)pyridine-3-boronic acid pinacol ester
5-((Neopentylamino)methyl)pyridine-3-boronic acid pinacol ester
N,N-Diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-Pyridinecarboxamide
4-Methoxy-1-(triisopropylsilyl)-1H-pyrrolo[2,3-c]pyridine
4-((5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)METHYL)MORPHOLINE
TERT-BUTYL N-[(1-BENZYL-4-PIPERIDINYL)METHYL]CARBAMATE
trans,trans-4-(3,4-Difluorophenyl)-4-vinylbicyclohexyl
4-METHOXY-1-TRIISOPROPYLSILANYL-1H-PYRROLO[2,3-B]PYRIDINE
2-(4-hexoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
6alpha-Hydroxytestosterone
tert-butyl 4-benzyl-2-ethylpiperazine-1-carboxylate
N,N-DIETHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PICOLINAMIDE
2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)aniline
(S)-tert-Butyl (1-phenyl-3-(pyrrolidin-1-yl)propan-2-yl)carbamate
2-(4-Methylpiperazin-1-yl)pyrimidine-5-boronic acid pinacol ester
2-(dimethylamino)-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
4-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
2α-Hydroxy Testosterone
An androstanoid that is testosterone substituted by a alpha-hydroxy group at position 2. A natural product found in Daphnia magna exposed to the biocide tributyltin.
5-Methyl-6-(morpholin-4-yl)pyridine-3-boronic acid pinacol ester
1-Propyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
1-propan-2-yl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
(1-Phenethyl-piperidin-4-yl)-carbamic acid tert-butyl ester
16beta-Hydroxytestosterone
An androstanoid that is testosterone substituted by a beta-hydroxy group at position 16. A natural product found in Daphnia magna exposed to the biocide tributyltin.
4beta,5-Epoxy-17beta-hydroxy-5beta-androstan-3-one
6-Methyl-9-(2-(2-methyl-5-pyridyl)ethyl)-1,2,3,4-tetrahydrocarbazole
8-Shogaol
Constituent of ginger (Zingiber officinale) [DFC]. 1-(3,4-Dimethoxyphenyl)-4-decen-3-one is found in ginger. [8]-Shogaol, one of the pungent phenolic compounds in ginger, exhibits anti-platelet activity (IC50=5 μM) and inhibits COX-2 (IC50=17.5 μM). [8]-Shogaol induces apoptosis in human leukemia cells[1][2][3][4]. [8]-Shogaol, one of the pungent phenolic compounds in ginger, exhibits anti-platelet activity (IC50=5 μM) and inhibits COX-2 (IC50=17.5 μM). [8]-Shogaol induces apoptosis in human leukemia cells[1][2][3][4].
6 β hydroxy testosterone
Testosterone is reported to have an acute vasodilating action in vitro, an effect that may impart a favourable haemodynamic response in patients with chronic heart failure. [HMDB]
19-Hydroxytestosterone
A 3-oxo Delta(4)-steroid that is testosterone which is substituted by a hydroxy group at positions 19. 19-Hydroxytestosterone is an intermediate in Androgen and estrogen metabolism. 19-Hydroxytestosterone is the 4th to last step in the synthesis of 16-Glucuronide-estriol. It is generated from Testosterone via the enzyme cytochrome P450 (EC 1.14.14.1) and then converted to 19-Oxotestosterone. [HMDB]. 19-Hydroxytestosterone is found in many foods, some of which are hedge mustard, tinda, black walnut, and babassu palm.
2β-Hydroxy Testosterone
An androstanoid that is testosterone carrying an additional hydroxy substituent at the 2beta-position. 2beta-Hydroxytestosterone is a Testosterone derivative metabolite. Testosterone is reported to have an acute vasodilating action in vitro, an effect that may impart a favourable haemodynamic response in patients with chronic heart failure. [HMDB]
5,9-Dimethyl-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Monacolin L
A polyketide that is 1-ethyl-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalene in which one of the methyl hydrogens from the ethyl group is replaced by a 4-hydroxy-6-ketopyran-2-yl group.
(6aR,9S,10R,10aR)-10-isocyano-6,6,9-trimethyl-9-vinyl-2,6,6a,7,8,9,10,10a-octahydronaphtho[1,2,3-cd]indole
(8R,10S,13S,17S)-17-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
(8R,9S,10S,13S,14S,17S)-17-Hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3-dione
1,2,3,4-Tetrahydro-1,1,4,4-tetramethyl-6-[(Z)-alpha-methylstyryl]naphthalene
[3-Carboxy-2-(3-hydroxyoctanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(5-hydroxyoctanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(7-hydroxyoctanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(6-hydroxyoctanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(4-hydroxyoctanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(5-hydroxy-2-propylpentanoyl)oxypropyl]-trimethylazanium
[3-Carboxy-2-(3-hydroxy-2-propylpentanoyl)oxypropyl]-trimethylazanium
[3-Carboxy-2-(4-hydroxy-2-propylpentanoyl)oxypropyl]-trimethylazanium
15-Hydroxytestosterone
An androstanoid that is testosterone substituted by a alpha-hydroxy group at position 15. A natural product found in Daphnia magna exposed to the biocide tributyltin.
(e)-2-(Hept-1-enyl)-3-(hydroxymethyl)-5-(3-methylbut-2-enyl)benzene-1,4-diol
A natural product found in Eurotium repens.
15-norlabda-8(20),12E-diene-14-carboxaldehyde-19-oic acid
A natural product found in Metasequoia glyptostroboides.
(3aS,3bS,5aR,7S,9aS,9bS,11aS)-2-amino-7-hydroxy-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,7,8,9,9b,11-dodecahydronaphtho[2,1-e]indol-10-one
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists D018377 - Neurotransmitter Agents > D000081227 - Neurosteroids
16-alpha-Methyl-16-beta-hydroxy-19-nortestosterone
4-Ethenyl-3-isocyano-4,8,8-trimethyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),9(16),10,12-tetraene
3-(3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-ylcyclohexyl)-1H-indole
a-Aleuritic Acid
Aleuritic acid ((±)-erythro-Aleuritic acid) is a major ingredient in Croton crassifolius Geisel. and used in the perfumery industry[1]. Aleuritic acid ((±)-erythro-Aleuritic acid) is a major ingredient in Croton crassifolius Geisel. and used in the perfumery industry[1].
Methyl (3R,6S)-3-(tert-butyldimethylsiloxy)-7-hydroxy-6-methylheptanoate
16alpha-Hydroxydehydroepiandrosterone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
11beta-Hydroxytestosterone
An androstanoid that is testosterone carrying an additional hydroxy substituent at the 11beta-position.
7alpha-Hydroxydehydroepiandrosterone
An androstanoid that is dehydroepiandrosterone carrying an additional hydroxy substituent at the 7alpha-position. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
11-Oxo etiocholanolone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
7beta-Hydroxydehydroepiandrosterone
An androstanoid that is dehydroepiandrosterone carrying an additional hydroxy substituent at the 7beta-position. It is a metabolite of dehydroepiandrosterone.
3beta,6alpha-dihydroxy-5alpha-androst-9(11)-en-17-one
3-geranyl-3-[(Z)-2-isocyanovinyl]-3H-indole
A member of the class of indoles in which the hydrogens at position 3 of 3H-indole have been replaced by 2-isocyanovinyl and geranyl groups.
19-oxo-5alpha-dihydrotestosterone
An androstanoid that is 5alpha-dihydrotestosterone carrying an additional oxo susbstituent at position 19.
7alpha -hydroxytestosterone
An androstanoid that is testosterone substituted by a alpha-hydroxy group at position 7. A natural product found in Daphnia magna exposed to the biocide tributyltin
(1s,4as,9r,10ar)-1-hydroperoxy-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-9-ol
(1s,4r,5r,9r,10s,13s,14r)-14-hydroxy-5,14-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-11-ene-5-carboxylic acid
methyl 1,4a-dimethyl-6-methylidene-5-(3-oxobut-1-en-1-yl)-hexahydro-2h-naphthalene-1-carboxylate
{2,6,8-trimethyl-9-oxotricyclo[6.3.0.0¹,⁵]undec-10-en-6-yl}methyl 2-methylpropanoate
(1s,5s,8r,9s,11s,12s)-12-hydroxy-5,9,12-trimethyl-11-(2-methylprop-1-en-1-yl)-2-oxatricyclo[6.4.1.0⁴,¹³]tridec-4(13)-en-3-one
(4e,6r,7r,11s)-6,7-dihydroxy-4,15,15-trimethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-dien-2-one
12-(2-hydroxypropan-2-yl)-9-methyl-5-propyl-8-oxatricyclo[7.3.1.0²,⁷]trideca-2,4,6-trien-3-ol
(1s,5s,6s,9r,11s,13r)-6-acetyl-11-ethenyl-6,11,13-trimethyl-2-oxatricyclo[7.3.1.0⁵,¹³]tridecan-3-one
4-[2-(7-hydroxy-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)ethyl]-5h-furan-2-one
(4as,4br,7r,8r,8as,10as)-7-ethenyl-8,8a-dihydroxy-4a,7-dimethyl-1-methylidene-octahydro-2h-phenanthren-9-one
14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-10-en-6-one
methyl 8-[4-oxo-5-(pent-2-en-1-ylidene)cyclopent-2-en-1-yl]octanoate
(6as,9s,10r,10as)-9-ethenyl-10-isocyano-6,6,9-trimethyl-5h,6ah,7h,8h,10h,10ah-indeno[2,1-b]indole
6-methyl-11-(6-methylhept-5-en-2-yl)-9-oxabicyclo[6.2.1]undec-5-ene-2,10-dione
(1s,2r,3s,4s)-1-ethenyl-3-(1h-indol-3-yl)-2-isocyano-1-methyl-4-(prop-1-en-2-yl)cyclohexane
methyl 2-{4-acetyl-5,9-dimethyltricyclo[7.2.1.0¹,⁶]dodec-10-en-5-yl}acetate
(1r,4ar,5s,8ar)-1,4a-dimethyl-5-[(2e)-3-methyl-4-oxobut-2-en-1-yl]-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid
(4s,4ar,5s,8ar)-3,4a,5-trimethyl-4-(2-methylpropoxy)-4h,5h,6h,7h,8h,8ah-naphtho[2,3-b]furan-9-one
10α,19-dihydroxy-15,16-epoxy-8(17),13(16),14-nor-ent-labdatriene
{"Ingredient_id": "HBIN000050","Ingredient_name": "10\u03b1,19-dihydroxy-15,16-epoxy-8(17),13(16),14-nor-ent-labdatriene","Alias": "NA","Ingredient_formula": "C19H28O3","Ingredient_Smile": "CC1(CCCC2(C1CCC(=C)C2CCC3=COC=C3)O)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5875","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
agallochin i
{"Ingredient_id": "HBIN014810","Ingredient_name": "agallochin i","Alias": "NA","Ingredient_formula": "C19H28O3","Ingredient_Smile": "CC1C2C(CC34CC(CCC3C25CCC1(OC5)O)(C=C4)C)O","Ingredient_weight": "304.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "692","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21635710","DrugBank_id": "NA"}
aleuritic acid
{"Ingredient_id": "HBIN015116","Ingredient_name": "aleuritic acid","Alias": "aleuriticacid","Ingredient_formula": "C16H32O5","Ingredient_Smile": "C(CCCC(C(CCCCCCO)O)O)CCCC(=O)O","Ingredient_weight": "304.42 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30574;887","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "7269318","DrugBank_id": "NA"}
