Exact Mass: 330.217038
Exact Mass Matches: 330.217038
Found 426 metabolites which its exact mass value is equals to given mass value 330.217038,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Deoxycorticosterone
11-Deoxycorticosterone (also called desoxycortone, 21-hydroxyprogesterone, DOC, or simply deoxycorticosterone) is a steroid hormone produced by the adrenal gland that possesses mineralocorticoid activity and acts as a precursor to aldosterone. It is classified as a member of the 21-hydroxysteroids. 21-hydroxysteroids are steroids carrying a hydroxyl group at the 21-position of the steroid backbone. Deoxycorticosterone is very hydrophobic, practically insoluble (in water), and relatively neutral. Deoxycorticosterone can be synthesized from progesterone by 21-beta-hydroxylase and is then converted to corticosterone by 11-beta-hydroxylase. Corticosterone is then converted to aldosterone by aldosterone synthase. Deoxycorticosterone stimulates the collecting tubules in the kidney to continue to excrete potassium in much the same way that aldosterone does. Deoxycorticosterone has about 1/20 of the sodium retaining power of aldosterone and about 1/5 the potassium excreting power of aldosterone (Wikipedia). Deoxycorticosterone can be found throughout all human tissues and has been detected in amniotic fluid and blood. When present in sufficiently high levels, deoxycorticosterone can act as a hypertensive agent and a metabotoxin. A hypertensive agent increases blood pressure and causes the production of more urine. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Chronically high levels of deoxycorticosterone are associated with congenital adrenal hyperplasia (CAH) and with adrenal tumors producing deoxycorticosterone (PMID: 20671982). High levels of this mineralocorticoid are associated with resistant hypertension, which can result in polyuria, polydipsia, increased blood volume, edema, and cardiac enlargement. Deoxycorticosterone can be used to treat adrenal insufficiency. In particular, desoxycorticosterone acetate (DOCA) is used as replacement therapy in Addisons disease. Desoxycorticosterol, also known as 21-hydroxy-4-pregnene-3,20-dione or 21-hydroxyprogesterone, is a member of the class of compounds known as 21-hydroxysteroids. 21-hydroxysteroids are steroids carrying a hydroxyl group at the 21-position of the steroid backbone. Thus, desoxycorticosterol is considered to be a steroid lipid molecule. Desoxycorticosterol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Desoxycorticosterol can be synthesized from progesterone. Desoxycorticosterol can also be synthesized into 11-deoxycorticosterone-21-hemisuccinate and 5beta-dihydrodeoxycorticosterone. Desoxycorticosterol can be found in rice, which makes desoxycorticosterol a potential biomarker for the consumption of this food product. Desoxycorticosterol can be found primarily in amniotic fluid and blood, as well as throughout all human tissues. In humans, desoxycorticosterol is involved in the steroidogenesis. Desoxycorticosterol is also involved in several metabolic disorders, some of which include corticosterone methyl oxidase I deficiency (CMO I), 21-hydroxylase deficiency (CYP21), corticosterone methyl oxidase II deficiency - CMO II, and 11-beta-hydroxylase deficiency (CYP11B1). Desoxycorticosterol is a non-carcinogenic (not listed by IARC) potentially toxic compound. CONFIDENCE standard compound; INTERNAL_ID 793; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9334; ORIGINAL_PRECURSOR_SCAN_NO 9329 CONFIDENCE standard compound; INTERNAL_ID 793; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9427; ORIGINAL_PRECURSOR_SCAN_NO 9423 CONFIDENCE standard compound; INTERNAL_ID 793; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9386; ORIGINAL_PRECURSOR_SCAN_NO 9384 CONFIDENCE standard compound; INTERNAL_ID 793; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9356; ORIGINAL_PRECURSOR_SCAN_NO 9353 CONFIDENCE standard compound; INTERNAL_ID 793; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9399; ORIGINAL_PRECURSOR_SCAN_NO 9396 CONFIDENCE standard compound; INTERNAL_ID 793; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9378; ORIGINAL_PRECURSOR_SCAN_NO 9376 H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AA - Mineralocorticoids D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D008901 - Mineralocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid COVID info from WikiPathways Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Deoxycorticosterone is a steroid hormone produced by the adrenal gland that possesses mineralocorticoid activity and acts as an aldosterone precursor. Deoxycorticosterone is a steroid hormone produced by the adrenal gland that possesses mineralocorticoid activity and acts as an aldosterone precursor.
Testosterone Acetate
Testosterone Acetate, also known as 17b-Hydroxyandrost-4-en-3-one acetic acid or 17beta-Acetoxy-4-androsten-3-one, is classified as a member of the Steroid esters. Steroid esters are compounds containing a steroid moiety which bears a carboxylic acid ester group. Testosterone Acetate is considered to be practically insoluble (in water) and basic. Testosterone Acetate is a steroid lipid molecule D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
17-Hydroxyprogesterone
17-Hydroxyprogesterone also known as 17-OH progesterone (17-OHP), or hydroxyprogesterone (OHP), is an endogenous progestogen steroid hormone related to progesterone. Formally it is a 17alpha-hydroxy steroid that is the 17alpha-hydroxy derivative of progesterone. 17-Hydroxyprogesterone is found in all vertebrates. It is a chemical intermediate in the biosynthesis of many endogenous steroids, including androgens, estrogens, glucocorticoids, mineralocorticoids and neurosteroids. In particular, 17-Hydroxyprogesterone serves as an intermediate in the biosynthesis of hydrocortisone and gonadal steroid hormones. It is derived from progesterone via the enzyme known as 17-hydroxylase, a cytochrome P450 enzyme also known as CYP17A1. It can also be biosynthesized from 17-hydroxypregnenolone via the enzyme 3beta-hydroxysteroid dehydrogenase/delta5-4 isomerase (PMID: 1955079). 17-OHP is an agonist of the progesterone receptor (PR). It is also an antagonist of the mineralocorticoid receptor (MR) as well as a partial agonist of the glucocorticoid receptor (GR). 17-Hydroxyprogesterone is a natural progestin and in pregnancy it increases in the third trimester primarily due to fetal adrenal production. 17-Hydroxyprogesterone is primarily produced in the adrenal glands and to some degree in the gonads, specifically the corpus luteum of the ovary. Normal levels are 3-90 ng/dl in children, and in women, 15-70 ng/dl prior to ovulation, and 35-290 ng/dl during the luteal phase. Measurements of levels of 17-hydroxyprogesterone are useful in the evaluation of patients with suspected congenital adrenal hyperplasia as the typical enzymes that are defective, namely 21-hydroxylase, lead to a build-up of 17-OHP. 17-OHP levels can also be used to measure contribution of progestational activity of the corpus luteum during pregnancy as progesterone but not 17-OHP is also contributed by the placenta. It serves as an intermediate in the biosynthesis of hydrocortisone and gonadal steroid hormones. It is derived from progesterone via 17-hydroxylase, a P450c17 enzyme, or from 17-hydroxypregnenolone via 3β-hydroxysteroid dehydrogenase/Δ5-4 isomerase. 17-Hydroxyprogesterone is a natural progestin and in pregnancy increases in the third trimester primarily due to fetal adrenal production. CONFIDENCE standard compound; INTERNAL_ID 1144; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9336; ORIGINAL_PRECURSOR_SCAN_NO 9331 CONFIDENCE standard compound; INTERNAL_ID 1144; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9427; ORIGINAL_PRECURSOR_SCAN_NO 9423 CONFIDENCE standard compound; INTERNAL_ID 1144; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9386; ORIGINAL_PRECURSOR_SCAN_NO 9384 CONFIDENCE standard compound; INTERNAL_ID 1144; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9371; ORIGINAL_PRECURSOR_SCAN_NO 9370 CONFIDENCE standard compound; INTERNAL_ID 1144; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9334; ORIGINAL_PRECURSOR_SCAN_NO 9329 CONFIDENCE standard compound; INTERNAL_ID 1144; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9378; ORIGINAL_PRECURSOR_SCAN_NO 9376 G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03D - Progestogens > G03DA - Pregnen (4) derivatives C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones 17α-Hydroxyprogesterone (17-Hydroxyprogesterone) is an endogenous progesterone that serves as a chemical intermediate in the biosynthesis of other steroid hormones, including glucocorticoids, androgens, and estrogens.
11a-Hydroxyprogesterone
Progesterone is a C-21 steroid hormone involved in the female menstrual cycle, pregnancy (supports gestation) and embryogenesis of humans and other species. Progesterone belongs to a class of hormones called progestagens, and is the major naturally occurring human progestagen. -- Wikipedia; Progesterones reproductive function serves to convert the endometrium to its secretory stage to prepare the uterus for implantation. If pregnancy does not occur, progesterone levels will decrease leading to menstruation in the human. Normal menstrual bleeding is a progesterone withdrawal bleeding. -- Wikipedia; During implantation and gestation, progesterone appears to decrease the maternal immune response to allow for the acceptance of the pregnancy. Progesterone decreases contractility of the uterine musculature. The fetus metabolizes placental progesterone in the production of adrenal mineralo- and glucosteroids. A drop in progesterone levels is possibly one step that facilitates the onset of labor. In addition progesterone inhibits lactation during pregnancy. The fall in progesterone levels following delivery is one of the triggers for milk production. Progesterone has an effect upon vaginal epithelium and cervical mucus. -- Wikipedia [HMDB] Progesterone is a C-21 steroid hormone involved in the female menstrual cycle, pregnancy (supports gestation) and embryogenesis of humans and other species. Progesterone belongs to a class of hormones called progestagens, and is the major naturally occurring human progestagen. Progesterones reproductive function serves to convert the endometrium to its secretory stage to prepare the uterus for implantation. If pregnancy does not occur, progesterone levels will decrease leading to menstruation in the human. Normal menstrual bleeding is a progesterone withdrawal bleeding. During implantation and gestation, progesterone appears to decrease the maternal immune response to allow for the acceptance of the pregnancy. Progesterone decreases contractility of the uterine musculature. The fetus metabolizes placental progesterone in the production of adrenal mineralo- and glucosteroids. A drop in progesterone levels is possibly one step that facilitates the onset of labor. In addition, progesterone inhibits lactation during pregnancy. The fall in progesterone levels following delivery is one of the triggers for milk production. Progesterone has an effect upon vaginal epithelium and cervical mucus. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins
16alpha-hydroxyprogesterone
ST 21:3;O3
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins 11beta-Hydroxyprogesterone is a potent inhibitors of 11β-Hydroxysteroid dehydrogenase; also activates human mineralocorticoid receptor in COS-7 cells with an ED50 of 10 nM.
3-Methoxy-16-ethylestra-1,3,5(10)-triene-16beta,17beta-diol
17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate
Jasmolin I
11beta-Hydroxyprogesterone
11beta-Hydroxyprogesterone is a normal human metabolite. Plasma 11beta-Hydroxyprogesterone concentrations does not vary significantly as a function of age, sex, or phase of the menstrual cycle, in contrast to 17-hydroxyprogesterone. Increased plasma 11beta-Hydroxyprogesterone levels in late-onset adrenal 21-hydroxylase deficiency suggest a mild defect of the mineralocorticoid pathway. 21-hydroxylase deficiency (OMIM 201910) is probably the most frequent (if not the most frequent) autosomal recessive genetic disease, occurring in almost 1\\\% of Caucasians and about 3\\\% of Ashkenazi Jews. 21-hydroxylase deficiency is unusual among genetic diseases in that approximately 95\\\% of the mutant alleles have apparently been generated by recombination between a normally active gene (CYP21) and a closely linked pseudogene (CYP21P). There are 4 recognized clinical forms of congenital adrenal hyperplasia, the majority of cases being associated with 21-hydroxylase deficiency: salt-wasting (SW), simple virilizing (SV), nonclassic (NC) late-onset (also called attenuated and acquired), and cryptic. (PMID: 3546944, 2537337). 11beta-hydroxyprogesterone acts as a mineralocorticoid agonist in stimulating Na+ absorption in mammalian principal cortical collecting duct cells.It activates the transiently expressed hMR in COS-7 cells in a dose-dependent manner (ED(50): 10(-8) M) and, like aldosterone, stimulated Ams I(sc) in mpkCCD(cl4) cells. Docking 11OHP within the hMR-ligand-binding domain homology model revealed that the agonist activity of 11OHP is caused by contacts between its 11 beta-hydroxyl group and Asn770. Furthermore, 11OHP was unable to activate the mutant hMR/N770A, in which Ala is substituted for Asn at position 770. These findings demonstrate that in the absence of the 21-hydroxyl group, the 11 beta-hydroxyl group can produce the contact with the hMR-Asn770 required for the hMR activation leading to stimulated Na(+) absorption. 11beta-Hydroxyprogesterone is a normal human metabolite. Plasma 11beta-Hydroxyprogesterone concentrations does not vary significantly as a function of age, sex, or phase of the menstrual cycle, in contrast to 17-hydroxyprogesterone. Increased plasma 11beta-Hydroxyprogesterone levels in late-onset adrenal 21-hydroxylase deficiency suggest a mild defect of the mineralocorticoid pathway. 21-hydroxylase deficiency (OMIM 201910) is probably the most frequent (if not the most frequent) autosomal recessive genetic disease, occurring in almost 1\\\% of Caucasians and about 3\\\% of Ashkenazi Jews. 21-hydroxylase deficiency is unusual among genetic diseases in that approximately 95\\\% of the mutant alleles have apparently been generated by recombination between a normally active gene (CYP21) and a closely linked pseudogene (CYP21P). There are 4 recognized clinical forms of congenital adrenal hyperplasia, the majority of cases being associated with 21-hydroxylase deficiency: salt-wasting (SW), simple virilizing (SV), nonclassic (NC) late-onset (also called attenuated and acquired), and cryptic. (PMID: 3546944, 2537337) [HMDB] D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins 11beta-Hydroxyprogesterone is a potent inhibitors of 11β-Hydroxysteroid dehydrogenase; also activates human mineralocorticoid receptor in COS-7 cells with an ED50 of 10 nM.
15beta-Hydroxyprogesterone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
17-Hydroxy-3-oxo-19-nor-5beta,17alpha-pregnane-21-carboxylic acid, gamma-lactone
11-Hydroxy-delta-9-THC
11-Hydroxy-delta-9-THC is a metabolite of dronabinol. Dronabinol is the for a pure isomer of THC, (–)-trans-delta9-tetrahydrocannabinol, which is the main isomer found in cannabis.
2-[2-(4-Hydroxy-3-methoxyphenyl)ethyl]-5-octylfuran
2-[2-(4-Hydroxy-3-methoxyphenyl)ethyl]-5-octylfuran is found in herbs and spices. 2-[2-(4-Hydroxy-3-methoxyphenyl)ethyl]-5-octylfuran is isolated from dry rhizomes of ginger Zingiber officinale. Isolated from dry rhizomes of ginger Zingiber officinale. 2-[2-(4-Hydroxy-3-methoxyphenyl)ethyl]-5-octylfuran is found in herbs and spices.
[10]-Dehydroshogaol
[10]-Dehydroshogaol is found in herbs and spices. [10]-Dehydroshogaol is a constituent of Zingiber officinale (ginger). Constituent of Zingiber officinale (ginger). [10]-Dehydroshogaol is found in herbs and spices.
8-Hydroxy-delta-9-THC
8-Hydroxy-delta-9-THC is a metabolite of dronabinol. Dronabinol is the for a pure isomer of THC, (–)-trans-Δ9-tetrahydrocannabinol, which is the main isomer found in cannabis. (Wikipedia)
9-alpha,10-alpha-epoxyhexahydrocannabinol
9-alpha,10-alpha-epoxyhexahydrocannabinol is a metabolite of dronabinol. Dronabinol is the for a pure isomer of THC, (–)-trans-delta9-tetrahydrocannabinol, which is the main isomer found in cannabis. (Wikipedia)
(4E,9a)-9-(3-Methyl-2E-pentenoyloxy)-4,10(14)-oplopadien-3-one
(4E,9a)-9-(3-Methyl-2E-pentenoyloxy)-4,10(14)-oplopadien-3-one is found in tea. (4E,9a)-9-(3-Methyl-2E-pentenoyloxy)-4,10(14)-oplopadien-3-one is a constituent of Tussilago farfara (coltsfoot) Constituent of Tussilago farfara (coltsfoot). (4E,9a)-9-(3-Methyl-2E-pentenoyloxy)-4,10(14)-oplopadien-3-one is found in tea.
Arginylarginine
Arginylarginine is a dipeptide composed of two arginine residues. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Tussilagonone
Constituent of Tussilago farfara (coltsfoot). (4Z,9a)-9-(3-Methyl-2E-pentenoyloxy)-4,10(14)-oplopadien-3-one is found in tea. Tussilagonone is found in tea. Tussilagonone is a constituent of Tussilago farfara (coltsfoot).
7-beta-Hydroxy-delta-9-THC
7-beta-Hydroxy-delta-9-THC is a metabolite of dronabinol. Dronabinol is the for a pure isomer of THC, (–)-trans-delta9-tetrahydrocannabinol, which is the main isomer found in cannabis. (Wikipedia)
8-beta-Hydroxy-delta-9-THC
8-beta-Hydroxy-delta-9-THC is a metabolite of dronabinol. Dronabinol is the for a pure isomer of THC, (–)-trans-delta9-tetrahydrocannabinol, which is the main isomer found in cannabis. (Wikipedia)
6(beta)-hydroxyprogesterone
6(beta)-hydroxyprogesterone is a metabolite of progesterone. Progesterone also known as P4 (pregn-4-ene-3,20-dione) is a C-21 steroid hormone involved in the female menstrual cycle, pregnancy and embryogenesis of humans and other species. Progesterone belongs to a class of hormones called progestogens, and is the major naturally occurring human progestogen. (Wikipedia)
6-beta-hydroxyprogesterone
6-beta-hydroxyprogesterone is a metabolite of progesterone. Progesterone also known as P4 (pregn-4-ene-3,20-dione) is a C-21 steroid hormone involved in the female menstrual cycle, pregnancy and embryogenesis of humans and other species. Progesterone belongs to a class of hormones called progestogens, and is the major naturally occurring human progestogen. (Wikipedia)
pregn-5-ene-3,20-dione-17-ol
pregn-5-ene-3,20-dione-17-ol is also known as 17-Hydroxypregnenedione. pregn-5-ene-3,20-dione-17-ol is considered to be practically insoluble (in water) and relatively neutral
11-hydroxy-Delta(9)-tetrahydrocannabinol
11-hydroxy-Delta(9)-tetrahydrocannabinol, also known as (-)-11-Hydroxy-Delta(9)-THC or 11-OH-THC, is classified as a member of the 2,2-dimethyl-1-benzopyrans. 2,2-dimethyl-1-benzopyrans are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position. 11-hydroxy-Delta(9)-tetrahydrocannabinol is considered to be practically insoluble (in water) and acidic
(8S)-8-Amino-7-oxononanoylcarnitine
(8S)-8-amino-7-oxononanoylcarnitine is an acylcarnitine. More specifically, it is an (8S)-8-amino-7-oxononanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (8S)-8-amino-7-oxononanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (8S)-8-amino-7-oxononanoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
11-Hydroxy-delta(8)-thc
11beta-Hydroxy-4-pregnen-3,20-dione
15-Hydroxyprogesterone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
17-(2-Hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
7-Hydroxycannabidiol
a-Hydroxyprogesterone
Dehydroepiandrosterone acetate
Leucomalachite green
D004396 - Coloring Agents > D012394 - Rosaniline Dyes
Metabolite M
(8R,9R,10R,13S,14S)-17-Ethynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,7,17-triol
Trestolone acetate
16-O-Methylcafestol
16-o-methylcafestol, also known as 16-omc compound, is a member of the class of compounds known as naphthofurans. Naphthofurans are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. 16-o-methylcafestol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 16-o-methylcafestol can be found in arabica coffee, which makes 16-o-methylcafestol a potential biomarker for the consumption of this food product.
[1S-[1alpha,2alpha(Z),4beta]]-1,2,3,4-Tetrahydro-7-methoxy-1,6-dimethyl-4-(1-methylethyl)-2-naphthalenyl ester 2-methyl-2-butenoic acid
[4aS-[4aalpha,5alpha,6beta(E),8abeta]]-3-methyl-, 4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6-yl ester 2-pentenoic acid
Leucomalachite green
D004396 - Coloring Agents > D012394 - Rosaniline Dyes CONFIDENCE standard compound; INTERNAL_ID 910; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8772; ORIGINAL_PRECURSOR_SCAN_NO 8771 CONFIDENCE standard compound; INTERNAL_ID 910; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8808; ORIGINAL_PRECURSOR_SCAN_NO 8807 CONFIDENCE standard compound; INTERNAL_ID 910; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8818; ORIGINAL_PRECURSOR_SCAN_NO 8817 CONFIDENCE standard compound; INTERNAL_ID 910; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8854; ORIGINAL_PRECURSOR_SCAN_NO 8853 CONFIDENCE standard compound; INTERNAL_ID 910; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8860; ORIGINAL_PRECURSOR_SCAN_NO 8858 CONFIDENCE standard compound; INTERNAL_ID 910; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8868; ORIGINAL_PRECURSOR_SCAN_NO 8867 CONFIDENCE standard compound; INTERNAL_ID 5657
9,10alpha-epoxy-9,10-seco-abieta-8,11,13-trien-18-oic acid methyl ester|karamatsuic acid methyl ester
Methyl 7.beta.-hydroxyabieta-8,11,13-trien-18-oate
1beta,3alpha-dihydroxypregna-5,16-dien-10-one|tupipregnenolone
methyl spongia-13(16),14-dien-19-oate|methyl spongin-13(16),14-dien-19-oate
2-KetoneMe ester-(ent-2beta,12Z)-2-Hydroxy-8(17)-,12,14-labdatrien-18-oic acid|2-oxo-12,13Z-ozic acid methylester
petasol-(3-methyl-pent-2E-enoate)|petasol-<3-methyl-pent-2E-enoate>
12-hydroxy-14-methoxyabieta-8,11,13-trien-3-one|Neotriptonoterpene|wilforol E
3-Angeloyl-(3beta, 9beta)-Furanoeremophilane-3, 9-diol
Ac-(3beta,5alpha)-3-Hydroxyandrost-9(11)-en-17-one
methyl-13alpha-hydroxy-9(11)-dehydro-ent-kaurenoate
deoxocarnosol 12-methyl ether|deoxycarnosol 12-methyl ether
17-oxo-ent-kaur-15(16)-en-19-oic acid methyl ester
(2,5,6,9,10,13,14,16-octahydro-4,12,15-trimethylcyclotetradeca[b]furan-8-carboxylic acid methyl ester)|13-dehydroxysarcoglaucol
11-hydroxy-14-methoxyabieta-8,11,13-trien-3-one|14-Me ether-11,14-Dihydroxy-8,11,13-abietatrien-3-one|triptonoterpene methyl ether|tritonoterpene methyl ether
(4aR,5R)-5-[(E)-1,4-dimethylpent-1-enyl]-2-methoxy-3,4a,6,8-tetramethyl-4a,5-dihydro-4H-1-benzopyran-4-one
(+)-(5R*,10R*)-5-methoxycembra-1E,3E,7E,11Z,15-pentaen-20,10-olide
16-methoxylabda-8(17),11E,13-trien-15,16-olide|hedycoronen B
(3S,4R,5R)-3-(9(E),11(E),15-hexadecatriene-7-inyl)-4,5-dihydro-4-hydroxy-5-methyl-2(3H)-furanone|sapranthin F
(3R,4R,5S)-3-(15-hexadecaene-7,9-diinyl)-4,5-dihydro-4-hydroxy-5-methyl-2(3H)-furanone|sapranthin E
3beta,12beta-dihydroxy-5alpha-pregnane-14,16-dien-20-one
1-Naphthalenecarboxylic acid, 5-[2-(3-furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-5,6,8a-trimethyl-, methyl ester, [4aS-(4a.alpha.,5.alpha.,6.beta.,8a.beta.)]-
7-ketomethylisopimarate|7-oxo-8,15-pimaradien-18-oic acid methyl ester|methyl 7-oxo-13-epi-pimar-8-en-18-oate|methyl 7-oxo-13-epi-pimara-8,15-dien-18-oate|methyl 7-oxoisopimara-8(9),15-dien-18-oate|Methyl 7-oxoisopimara-8,15-dien-18-oate
12-hydroxy-7alpha-methoxy-6alpha,18-epoxyabieta-8,11,13-triene|fortunin I
(-)-(4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-methyl acetal
Wilforol E
Wilforol E is a natural product found in Tripterygium wilfordii with data available.
C21H30O3_(2E,4E)-5-{(1S,2R,4aS,5S,8S,8aS)-2-[(2E)-2-Buten-2-yl]-5-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}-2,4-pentadienoic acid
Deoxycorticosterone
Deoxycorticosterone is a steroid hormone produced by the adrenal gland that possesses mineralocorticoid activity and acts as an aldosterone precursor. Deoxycorticosterone is a steroid hormone produced by the adrenal gland that possesses mineralocorticoid activity and acts as an aldosterone precursor.
17-hydroxyprogesterone
17α-Hydroxyprogesterone (17-Hydroxyprogesterone) is an endogenous progesterone that serves as a chemical intermediate in the biosynthesis of other steroid hormones, including glucocorticoids, androgens, and estrogens.
11a-Hydroxyprogesterone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins
hydroxyprogesterone
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03D - Progestogens > G03DA - Pregnen (4) derivatives C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones 17α-Hydroxyprogesterone (17-Hydroxyprogesterone) is an endogenous progesterone that serves as a chemical intermediate in the biosynthesis of other steroid hormones, including glucocorticoids, androgens, and estrogens.
17α-hydroxyprogesterone
CONFIDENCE standard compound; INTERNAL_ID 2397 17α-Hydroxyprogesterone (17-Hydroxyprogesterone) is an endogenous progesterone that serves as a chemical intermediate in the biosynthesis of other steroid hormones, including glucocorticoids, androgens, and estrogens.
Desoxycortone
H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AA - Mineralocorticoids D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D008901 - Mineralocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid COVID info from WikiPathways Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Origin: Animal, Pregnanes Deoxycorticosterone is a steroid hormone produced by the adrenal gland that possesses mineralocorticoid activity and acts as an aldosterone precursor. Deoxycorticosterone is a steroid hormone produced by the adrenal gland that possesses mineralocorticoid activity and acts as an aldosterone precursor.
(5Z,7E)-(1S,3R)-1,3-dihydroxy-9,10-seco-5,7,10(19)-pregnatrien-20-one
Arg-arg
A dipeptide formed from two L-arginine residues.
(4E,9a)-9-(3-Methyl-2E-pentenoyloxy)-4,10(14)-oplopadien-3-one
Tussilagonone
1alpha-hydroxy-20-oxo-22,23,24,25,26,27-hexanorvitamin D3
formaldehyde,phenol,4-(2,4,4-trimethylpentan-2-yl)phenol
1,2-bis(4,4,5,5-tetramethyl-[1,3,2]dioxabororan-2-yl)benzene
C18H28B2O4 (330.21735880000006)
4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
C18H28B2O4 (330.21735880000006)
1,3-Phenyldiboronic acid, bis(pinacol) ester
C18H28B2O4 (330.21735880000006)
1-Cyclopentyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
(S)-DI-TERT-BUTYL 2-(2-HYDROXYETHYL)PIPERAZINE-1,4-DICARBOXYLATE
Trestolone acetate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(4-METHYLPIPERAZIN-1-YL)(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)METHANONE
(4-METHYLPIPERAZIN-1-YL)(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)METHANONE
2-(pyrrolidin-1-yl)-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
4-(4-Acetylpiperazino)phenylboronic acid, pinacol ester
3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one
Prasterone acetate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Triolex
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
6a,7,8,10a-Tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-6H-dibenzo(b,d)pyran-9-methanol
7-Hydroxycannabidiol
A hydroxy-cannabidiol that is cannabidiol in which the methyl group that is attached to the double bond of the cyclohexene ring has been oxidised to the corresponding hydroxymethyl group. It is one of the main metabolites of cannabidiol by human liver microsomes, produced particularly by CYP2C19.
7-Ketopregnenolone
A 3beta-hydroxy-Delta(5)-steroid that is pregnenolone carrying an oxo group at position 7.
6beta-Hydroxycannabidiol
A hydroxy-cannabidiol that is cannabidiol in which the 6-pro-R hydrogen of the cyclohexene ring has been replaced by a hydroxy group. It is one of the main metabolites of cannabidiol by human liver microsomes, produced by CYP3A.
Triptonoterpene methyl ether
An abietane diterpenoid that is abieta-8(14),9(11),12-triene substituted at positions 3, 11 and 14 respectively by oxo, hydroxy and methoxy groups. It is found in Tripterygium wilfordii and Tripterygium hypoglaucum.
16-Hydroxyprogesterone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
6alpha-Hydroxycannabidiol
A hydroxy-cannabidiol that is cannabidiol in which the 6-pro-S hydrogen of the cyclohexene ring has been replaced by a hydroxy group. It is one of the main metabolites of cannabidiol by human liver microsomes, produced by CYP2C19 and CYP3A.
4-Hydroxycannabidiol
A hydroxy-cannabidiol that is cannabidiol in which one of the hydrogens at position 4 of the pentyl chain has been replaced by a hydroxy group. It is one of the main metabolites of cannabidiol by human liver microsomes, produced particularly by CYP3A.
1-Hydroxycannabidiol
A hydroxy-cannabidiol that is cannabidiol in which one of the two hydrogens at position 1 of the pentyl chain has been replaced by a hydroxy group. It is a metabolite of cannabidiol by human liver microsomes, produced particularly by CYP1A.
2-Hydroxycannabidiol
A hydroxy-cannabidiol that is cannabidiol in which one of the two hydrogens at position 2 of the pentyl chain has been replaced by a hydroxy group. It is a metabolite of cannabidiol by human liver microsomes, produced by CYP3A.
3-Hydroxycannabidiol
A hydroxy-cannabidiol that is cannabidiol in which one of the two hydrogens at position 3 of the pentyl chain has been replaced by a hydroxy group. It is a metabolite of cannabidiol by human liver microsomes.
(5s,8r,9r,10s,13s,14s,17r)-13-Methyltetradecahydro-3h-spiro[cyclopenta[a]phenanthrene-17,2-furan]-3,5(2h,4h)-dione
2-[[2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
15-beta-Hydroxyprogesterone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
17-acetyl-17-hydroxy-10,13-dimethyl-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
(-)-(4S,5S,10R,20S)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-methyl acetal
An abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
(-)-(4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde18,20-methyl acetal
An abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
(S,S)-trans-2-ethyl-1-isopropyl-3,3,5-trimethyl-6-succinylindane
Testosterone Acetate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones An androstanoid that is the acetate derivative of testosterone.
11beta-Hydroxyprogesterone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins A 11beta-hydroxy steroid that is progesterone substituted by a beta-hydroxy group at position 11. 11beta-Hydroxyprogesterone is a potent inhibitors of 11β-Hydroxysteroid dehydrogenase; also activates human mineralocorticoid receptor in COS-7 cells with an ED50 of 10 nM.
11alpha-hydroxyprogesterone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins
17-Hydroxy-3-oxo-19-nor-5alpha,17alpha-pregnane-21-carboxylic acid, gamma-lactone
11-Hydroxy-delta(9)-tetrahydrocannabinol
A phytocannabinoid that is Delta(9)-tetrahydrocannabinol in which the methyl group at C-11 has been hydroxylated . Major metabolite of Delta(9)-tetrahydrocannabinol.
17Alpha-Hydroxyprogesterone
A 17alpha-hydroxy steroid that is the 17alpha-hydroxy derivative of progesterone.
11-deoxycorticosterone
A mineralocorticoid that is progesterone substituted at position 21 by a hydroxy group.
Atg4B-IN-2
Atg4B-IN-2 is a potent competitive Atg4B inhibitor with Ki value of 3.1 μM, also possesses declining PLA2 inhibitory potency, IC50s of 11 μM and 3.5 μM for Atg4B and PLA2, respectively. Atg4B-IN-2 enhances the anticancer activity of anti-castration-resistant prostate cancer agents via autophagy inhibition[1].
5-hydroxy-7-isopropyl-6-methoxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2h-phenanthren-9-one
1-(1,2-dihydroxyethyl)-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
methyl (1s,4ar,5s,8ar)-5-[2-(furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylate
(3r,7s,13r)-13-hydroxy-3-methyl-6-[(2s)-6-methylhept-5-en-2-yl]-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(9),5-dien-10-one
(1r,2s,8z,11z,13s,14r,16s)-2-[(1r,2s)-2-ethyl-2-methylcyclopropyl]-3,15-dioxatricyclo[11.4.0.0¹⁴,¹⁶]heptadeca-8,11-dien-4-one
(2s)-2-[(6r,9s)-4,9-dimethyl-2h,6h,7h,8h,9h-naphtho[1,2-d][1,3]dioxol-6-yl]-6-methylheptan-4-one
methyl (4s,4ar,7r,11br)-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-4-carboxylate
5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl acetate
(3r,4r,5s)-3-[(9e,11e)-hexadeca-9,11,15-trien-7-yn-1-yl]-4-hydroxy-5-methyloxolan-2-one
6,6,9-trimethyl-3-pentyl-6ah,7h,8h,10ah-benzo[c]isochromene-1,2-diol
6-isopropyl-9-methoxy-12,12-dimethyltricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6-tetraene-4,5-diol
(4as,10ar)-8-hydroxy-7-isopropyl-6-methoxy-1,1,4a-trimethyl-4,9,10,10a-tetrahydro-3h-phenanthren-2-one
11-hydroxy-3-methyl-6-(6-methylhept-5-en-2-yl)-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(9),5-dien-10-one
methyl 5-[2-(furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylate
methyl (15as)-3,6,14-trimethyl-2h,4h,5h,8h,9h,12h,13h,15ah-cyclotetradeca[b]furan-10-carboxylate
(1s,10s,13r,15s)-9,9,13-trimethyl-5-pentyl-8,14-dioxatetracyclo[8.5.0.0²,⁷.0¹³,¹⁵]pentadeca-2,4,6-trien-3-ol
(1s,3br,9ar,11as)-1-acetyl-3-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
(6ar,8r,10ar)-6,6,9-trimethyl-3-pentyl-6ah,7h,8h,10ah-benzo[c]isochromene-1,8-diol
(1z,3ar,5r,7s,7as)-1-ethylidene-7-isopropyl-4-methylidene-2-oxo-hexahydroinden-5-yl (2e)-3-methylpent-2-enoate
methyl (1r,4as,5r,8as)-5-[2-(furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylate
3β-hydroxy-1-oxo-13-o-methyltotarol
{"Ingredient_id": "HBIN008222","Ingredient_name": "3\u03b2-hydroxy-1-oxo-13-o-methyltotarol","Alias": "NA","Ingredient_formula": "C21H30O3","Ingredient_Smile": "CC(C)C1=C(C=CC2=C1CCC3C2(C(=O)CC(C3(C)C)O)C)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10574","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8,11,13-icetexantrien-10,11,12-triol
{"Ingredient_id": "HBIN013520","Ingredient_name": "8,11,13-icetexantrien-10,11,12-triol","Alias": "NA","Ingredient_formula": "C21H30O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10955","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}