Exact Mass: 270.2055656
Exact Mass Matches: 270.2055656
Found 497 metabolites which its exact mass value is equals to given mass value 270.2055656,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Estrone
Estrone is a major mammalian estrogen. The conversion of the natural C19 steroids, testosterone and androstenedione into estrone is dependent on a complex key reaction catalyzed by the cytochrome P450 aromatase (EC 1.14.14.1, unspecific monooxygenase), which is expressed in many tissues of the adult human (e.g. ovary, fat tissue), but not in the liver. The ovaries after menopause continue to produce androstenedione and testosterone in significant amounts and these androgens are converted in fat, muscle, and skin into estrone. When women between the ages of 45 and 64 years have prophylactic oophorectomy (when hysterectomy is performed for benign disease to prevent the development of ovarian cancer), evidence suggests that oophorectomy increases the subsequent risk of coronary heart disease (CHD) and osteoporosis. Whereas 14,000 women die of ovarian cancer every year nearly 490,000 women die of heart disease and 48,000 women die within 1 year after hip fracture. Therefore, the decision to perform prophylactic oophorectomy should be approached with great caution for the majority of women who are at low risk of developing ovarian cancer. Steroid sulfatase (EC 3.1.6.2, STS) hydrolyzes steroid sulfates, such as estrone sulfate to estrone which can be converted to steroids with potent estrogenic properties, that is, estradiol; STS activity is much higher in breast tumors and high levels of STS mRNA expression in tumors are associated with a poor prognosis. The biological roles of estrogens in tumorigenesis are certainly different between the endometrium and breast, although both are considered "estrogen-dependent tissues". 17beta-hydroxysteroid dehydrogenases (EC 1.1.1.62, 17-HSDs) are enzymes involved in the formation of active sex steroids. estrone is interconverted by two enzymes 17-HSD types. Type 1 converts estrone to estradiol and Type 2 catalyzes the reverse reaction. (PMID: 17653961, 17513923, 17470679, 17464097). CONFIDENCE standard compound; INTERNAL_ID 859; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8887; ORIGINAL_PRECURSOR_SCAN_NO 8882 CONFIDENCE standard compound; INTERNAL_ID 859; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8944; ORIGINAL_PRECURSOR_SCAN_NO 8942 CONFIDENCE standard compound; INTERNAL_ID 859; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8923; ORIGINAL_PRECURSOR_SCAN_NO 8921 CONFIDENCE standard compound; INTERNAL_ID 859; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8903; ORIGINAL_PRECURSOR_SCAN_NO 8901 CONFIDENCE standard compound; INTERNAL_ID 859; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4817; ORIGINAL_PRECURSOR_SCAN_NO 4815 CONFIDENCE standard compound; INTERNAL_ID 859; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4834; ORIGINAL_PRECURSOR_SCAN_NO 4832 CONFIDENCE standard compound; INTERNAL_ID 859; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4774; ORIGINAL_PRECURSOR_SCAN_NO 4772 CONFIDENCE standard compound; INTERNAL_ID 859; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4796; ORIGINAL_PRECURSOR_SCAN_NO 4794 CONFIDENCE standard compound; INTERNAL_ID 859; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8953; ORIGINAL_PRECURSOR_SCAN_NO 8951 CONFIDENCE standard compound; INTERNAL_ID 859; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4804; ORIGINAL_PRECURSOR_SCAN_NO 4803 CONFIDENCE standard compound; INTERNAL_ID 859; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8970; ORIGINAL_PRECURSOR_SCAN_NO 8969 A trace constituent of plant tissues, e.g. seeds of date (Phoenix dactylifera) and pomegranate (Punica granatum). Estrone is found in many foods, some of which are cauliflower, sweet rowanberry, carrot, and coconut. G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CA - Natural and semisynthetic estrogens, plain G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CC - Estrogens, combinations with other drugs D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen CONFIDENCE standard compound; INTERNAL_ID 2391 COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Estrone (E1) is a natural estrogenic hormone. Estrone is the main representative of the endogenous estrogens and is produced by several tissues, especially adipose tissue. Estrone is the result of the process of aromatization of androstenedione that occurs in fat cells[1][2]. Estrone (E1) is a natural estrogenic hormone. Estrone is the main representative of the endogenous estrogens and is produced by several tissues, especially adipose tissue. Estrone is the result of the process of aromatization of androstenedione that occurs in fat cells[1][2].
Dihydrodiethylstilbestrol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens D000970 - Antineoplastic Agents
Trenbolone
A 3-oxo-Delta(4) steroid that is estra-4,9,11-triene carrying an oxo group at position 3 and a hydroxy group at position 17beta. It is a synthetic anabolic steroid used for muscle growth in livestock. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid CONFIDENCE standard compound; INTERNAL_ID 2824 CONFIDENCE standard compound; INTERNAL_ID 8746 CONFIDENCE standard compound; INTERNAL_ID 787; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8822; ORIGINAL_PRECURSOR_SCAN_NO 8819 CONFIDENCE standard compound; INTERNAL_ID 787; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8842; ORIGINAL_PRECURSOR_SCAN_NO 8840 CONFIDENCE standard compound; INTERNAL_ID 787; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4804; ORIGINAL_PRECURSOR_SCAN_NO 4803 CONFIDENCE standard compound; INTERNAL_ID 787; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8845; ORIGINAL_PRECURSOR_SCAN_NO 8842 CONFIDENCE standard compound; INTERNAL_ID 787; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8903; ORIGINAL_PRECURSOR_SCAN_NO 8901 CONFIDENCE standard compound; INTERNAL_ID 787; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4774; ORIGINAL_PRECURSOR_SCAN_NO 4772 CONFIDENCE standard compound; INTERNAL_ID 787; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4796; ORIGINAL_PRECURSOR_SCAN_NO 4794 CONFIDENCE standard compound; INTERNAL_ID 787; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4817; ORIGINAL_PRECURSOR_SCAN_NO 4815 CONFIDENCE standard compound; INTERNAL_ID 787; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8823; ORIGINAL_PRECURSOR_SCAN_NO 8820 CONFIDENCE standard compound; INTERNAL_ID 787; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4834; ORIGINAL_PRECURSOR_SCAN_NO 4832 CONFIDENCE standard compound; INTERNAL_ID 787; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8866; ORIGINAL_PRECURSOR_SCAN_NO 8863
17beta-Dihydroequilin
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
6-Dehydroestradiol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Abietatriene
A diterpene that is abietane having three double bonds located at positions 8, 11 and 13.
hexestrol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens D000970 - Antineoplastic Agents CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4806; ORIGINAL_PRECURSOR_SCAN_NO 4804 C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4817; ORIGINAL_PRECURSOR_SCAN_NO 4815 CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4774; ORIGINAL_PRECURSOR_SCAN_NO 4772 CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4796; ORIGINAL_PRECURSOR_SCAN_NO 4794 CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4834; ORIGINAL_PRECURSOR_SCAN_NO 4832 CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4799; ORIGINAL_PRECURSOR_SCAN_NO 4795 CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8887; ORIGINAL_PRECURSOR_SCAN_NO 8882 CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8903; ORIGINAL_PRECURSOR_SCAN_NO 8901 CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8923; ORIGINAL_PRECURSOR_SCAN_NO 8921 CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8953; ORIGINAL_PRECURSOR_SCAN_NO 8951 CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8970; ORIGINAL_PRECURSOR_SCAN_NO 8969 CONFIDENCE standard compound; INTERNAL_ID 826; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8944; ORIGINAL_PRECURSOR_SCAN_NO 8942
Doxylamine
Doxylamine is a sedating antihistamine that can be used by itself as a short-term sleep aid, in combination with other drugs as a night-time cold and allergy relief. It is a member of the ethanolamine class of antihistamines and has anti-allergy power superior to almost every other antihistamine on the market, with the exception of diphenhydramine (Benadryl). It is also the most effective over-the-counter sedative available in North America, and more sedating than some prescription hypnotics. In a study, it was found that doxylamine succinate is possibly more effective than the barbiturate, phenobarbital for use as a sedative. For this reason, doxylamine has sometimes been used off label in a manner similar to diphenhydramine for the reduction of anxiety symptoms; Doxylamine succinate is used by itself as a short-term sleep aid, in combination with other drugs as a night-time cold and allergy relief drug, and a preparation is prescribed in combination with Vitamin B6 (pyridoxine) to prevent morning sickness in pregnant women. In Commonwealth countries, doxylamine is available prepared with paracetamol/acetaminophen and codeine under the brand name Syndol or Mersyndol, as treatment for tension headache and other types of pain, or as a general OTC sleep-aid branded as Somnil, Donormyl, DSozile and Restavit containing Doxylamine Succinate only. [HMDB] Doxylamine is a sedating antihistamine that can be used by itself as a short-term sleep aid, in combination with other drugs as a night-time cold and allergy relief. It is a member of the ethanolamine class of antihistamines and has anti-allergy power superior to almost every other antihistamine on the market, with the exception of diphenhydramine (Benadryl). It is also the most effective over-the-counter sedative available in North America, and more sedating than some prescription hypnotics. In a study, it was found that doxylamine succinate is possibly more effective than the barbiturate, phenobarbital for use as a sedative. For this reason, doxylamine has sometimes been used off label in a manner similar to diphenhydramine for the reduction of anxiety symptoms; Doxylamine succinate is used by itself as a short-term sleep aid, in combination with other drugs as a night-time cold and allergy relief drug, and a preparation is prescribed in combination with Vitamin B6 (pyridoxine) to prevent morning sickness in pregnant women. In Commonwealth countries, doxylamine is available prepared with paracetamol/acetaminophen and codeine under the brand name Syndol or Mersyndol, as treatment for tension headache and other types of pain, or as a general OTC sleep-aid branded as Somnil, Donormyl, DSozile and Restavit containing Doxylamine Succinate only. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AA - Aminoalkyl ethers D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
11-Oxohexadecanoic acid
11-Oxohexadecanoic acid is found in milk and milk products. 11-Oxohexadecanoic acid is a trace constituent of milk fa Trace constituent of milk fat. 11-Oxohexadecanoic acid is found in milk and milk products.
8-Oxohexadecanoic acid
8-Oxohexadecanoic acid is found in milk and milk products. 8-Oxohexadecanoic acid is a trace constituent of milk fa Trace constituent of milk fat. 8-Oxohexadecanoic acid is found in milk and milk products.
ar-Artemisene
Constituent of Wormwood oil (Artemisia absinthium). ar-Artemisene is found in alcoholic beverages and herbs and spices. ar-Artemisene is found in alcoholic beverages. ar-Artemisene is a constituent of Wormwood oil (Artemisia absinthium).
9-Oxohexadecanoic acid
9-Oxohexadecanoic acid is found in milk and milk products. 9-Oxohexadecanoic acid is a trace constituent of milk fa Trace constituent of milk fat. 9-Oxohexadecanoic acid is found in milk and milk products.
3-Oxohexadecanoic acid
In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation. 3-Oxo-hexadecanoic acid is an intermediate in fatty acid biosynthesis. Specifically, 3-Oxo-hexadecanoic acid is converted from Malonic acid via three enzymes; 3-oxoacyl-[acyl-carrier-protein] synthase, fatty-acid Synthase and beta-ketoacyl -acyl-carrier-protein synthase II. (EC:2.3.1.41, E.C: 2.3.1.85, 2.3.1.179) [HMDB] In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation. 3-Oxo-hexadecanoic acid is an intermediate in fatty acid biosynthesis. Specifically, 3-Oxo-hexadecanoic acid is converted from Malonic acid via three enzymes; 3-oxoacyl-[acyl-carrier-protein] synthase, fatty-acid Synthase and beta-ketoacyl -acyl-carrier-protein synthase II. (EC:2.3.1.41, E.C: 2.3.1.85, 2.3.1.179).
15-Octadecene-9,11,13-triynoic acid
15-Octadecene-9,11,13-triynoic acid is found in fruits. 15-Octadecene-9,11,13-triynoic acid is a major component of the lipids of Santalum acuminatum (quandong Major component of the lipids of Santalum acuminatum (quandong). 15-Octadecene-9,11,13-triynoic acid is found in fruits.
Ethylene brassylate
Ethylene brassylate is a component of fragrances for soaps, detergents, food etc. Component of fragrances for soaps, detergents, food etc.
Estra-1,3,5(10),7-tetraene-3,17alpha-diol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
17alpha-Trenbolone
2-[(1E,3E,5E)-3,7-Dimethylnona-1,3,5,8-tetraenyl]-1,3,3-trimethylcyclohexene
Androsta-4,16-dien-3-one
9,9'-Diapo-10,9'-retro-carotene-9,9'-dione
9,9-diapo-10,9-retro-carotene-9,9-dione is a member of the class of compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR. 9,9-diapo-10,9-retro-carotene-9,9-dione is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 9,9-diapo-10,9-retro-carotene-9,9-dione can be found in a number of food items such as pepper (c. annuum), green bell pepper, orange bell pepper, and red bell pepper, which makes 9,9-diapo-10,9-retro-carotene-9,9-dione a potential biomarker for the consumption of these food products.
5-Hexyl-2-methylpyridine
5-hexyl-2-methylpyridine is a member of the class of compounds known as benzylamines. Benzylamines are organic compounds containing benzylamine, which consists of a benzene group attached to an amine group. 5-hexyl-2-methylpyridine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 5-hexyl-2-methylpyridine can be found in sweet orange, which makes 5-hexyl-2-methylpyridine a potential biomarker for the consumption of this food product.
Dehydroabietane
Dehydroabietane is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Dehydroabietane can be found in lemon balm, which makes dehydroabietane a potential biomarker for the consumption of this food product.
L-Monomenthyl glutarate
It is used as a food additive .
doxylamine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AA - Aminoalkyl ethers D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics CONFIDENCE standard compound; EAWAG_UCHEM_ID 3018 D002491 - Central Nervous System Agents
Isocelorbicol
Fercoperol
celorbicol
Tetrahydromagnolol
Tetrahydromagnolol (Magnolignan), a main metabolite of Magnolol, is a potent and selective cannabinoid CB2 receptor agonist with an EC50 of 170 nM and a Ki of 416 nM. Tetrahydromagnolol possesses 20-fold more selective for CB2 receptor than CB1 receptor. Tetrahydromagnolol is also a weak GPR55 receptor antagonist[1]. Tetrahydromagnolol (Magnolignan), a main metabolite of Magnolol, is a potent and selective cannabinoid CB2 receptor agonist with an EC50 of 170 nM and a Ki of 416 nM. Tetrahydromagnolol possesses 20-fold more selective for CB2 receptor than CB1 receptor. Tetrahydromagnolol is also a weak GPR55 receptor antagonist[1].
1beta,10alpha;4beta,5alpha-diepoxygermacrane-2beta,6beta-diol
19-norabieta-4(18),8,11,13-tetraen-7alpha-ol|7alpha-19-Nor-4(18),8,11,13-abietatetraen-7-ol
1beta-hydroperoxy-3beta,4beta-dihydroxygermacra-5E,10(14)-diene
(1alpha,2beta,5alpha,6beta)-form-4(15),10(14)-Germacradiene,1,2,5,6-tetrol|(1R,2R,5R,6R,7S)-germacra-4(15),10(14)-dien-1,2,5,6-tetraol
8beta,9beta-dihydroxy-1(10)-eremophiliene-11,12-diol|delavayol
(4R,7S,8R,11E,15S,16S)-trinervita-1(14),2,11-triene
(1S*,2R*,4aR*,7R*)-decahydro-7-hydroperoxy-4a-methyl-2-(1-methylethyl)-8-methylidenenaphthalene-1,2-diol|3alpha-hydroperoxyeudesm-4(14)-ene-6beta,7alpha-diol
(6S)-(E)-methyl 3-hydroxy-6-isopropyl-3-methyl-9-oxodec-4-enoate
2-oxopalmitic acid
A oxo fatty acid that is the 2-oxo derivative of palmitic (hexadecanoic) acid.
(1S,1aR,4R,4aR,5S,6R,7S,7aR,7bS)-decahydro-1-(hydroxymethyl)-1,4,7-trimethyl-1H-cyclopropa[e]azulene-4,5,6-triol|2beta,3beta,13-trihydroxyledol
3,8,N2,N2,N6-pentamethyl-3H-cyclohepta[1,2-d;4,5-d]diimidazole-2,6-diamine|Epizoanthoxanthin B
(1alpha,2beta,5alpha,6beta,10alpha)-form-5,10-Epoxy-4(15)-germacrene-1,2,6-triol
1-(6,10-DIMETHYLUNDECA-5,9-DIEN-2-YL)-4-METHYLBENZENE
lyratol C
An sesquiterpenoid that is decahydronaphthalene substituted by hydroxy groups at positions 1 and 2, a methyl group at position 8a, a methylidene group at position 4 and a 1,2-dihydroxypropan-2-yl at position 6 (the 1R,2R,4aR,6S,8aS stereoisomer) . Isolated from Solanum lyratum, it exhibits cytotoxicity against human cancer cell lines.
(1R,2R,4S,5S,6R,7S)-4,5-epoxygermacra-9Z-en-1,2,6-triol
(rel)-1beta-pentyl-1alpha,3alpha-dihydroxy-4,4,6,6-tetramethylcyclohexa-2,5-dione|isotriumphalone
3beta-Hydroxy-5(10),6,8-oestratrien-17-on|3beta-hydroxy-5,7,9-estratriene-17-one|3beta-hydroxy-estra-5,7,9-trien-17-one|3beta-Hydroxy-oestra-5,7,9-trien-17-on
(1R*,2R*,3R*,4aS*,5R*)-octahydro-3-(3-hydroxyprop-1-en-2-yl)-4a,5-dimethylnaphthalene-1,2,8a(1H)-triol|tuberculariol C
12-hydroxy-13-methyl-5,8,11,13-podocarpatetraen-7-one|rossogumerin A
cordycepol C|rel-(2R)-2-[(1R,4R,5S,8S)-8-hydroperoxy-4,8-dimethylspiro[4.5]dec-6-en-1-yl]-propane-1,2-diol
(4S,5SR,7RS,10RS)-4,5-seco-4,5-dihydroxy-11(13)eudesmen-12-oic acid|laggeric acid
(+)-(2E,3R,4R)-2-decylidene-3,4-dihydroxy-4-methylbutanolide
12-hydroxy-13-methyl-ent-podocarp-6,8,11,13-tetraen-3-one
6-Acetyl-2,2-dimethyl-8-(3-methyl-2-butenyl)-2H-1-benzopyran
Me ester-(all-E)-7,9,15-Heptadecatriene-11,13-diynoic acid
(4E,7S)-(-)-methyl 7-methoxy-4-tetradecenoate|(S)-lyngbic acid methyl ester|methyl (4E,7S)-methoxy-tetradecenoate
2,8-dimethyl-2-vinyl-5-(4-methyl-pent-3-enyl)-chromane|2,8-dimethyl-2-vinyl-5-<4-methyl-pent-3-enyl>-chromane
(1alpha,2beta,5alpha,6beta,9Z)-form-4(15),9-Germacradiene,1,2,5,6-tetrol|(Z,1R,2R,5R,6R,7S)-germacra-4(15),9-dien-1,2,5,6-tetraol
9alpha,10beta-dihydroxy-2beta,4beta-peroxy-1alpha,5beta,7alphaH-guaiane
Isopimara-6,8(14),15-trien|isopimara-6,8(14),15-triene
(E,E)-11-hydroperoxy-3,7,11-trimethyl-1,6,9-dodecatrien-3,5-diol
1-(7-hydroxy-2,6-dimethyl-1-naphthyl)-4-methyl-3-pentanone
(rel)-1beta-pentyl-1alpha,6alpha-dihydroxy-3,3,5,5-tetramethylcyclohexa-2,4-dione|triumphalone
Estrone
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CA - Natural and semisynthetic estrogens, plain G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CC - Estrogens, combinations with other drugs A 17-oxo steroid that is estra-1,3,5(10)-triene substituted by an hydroxy group at position 3 and an oxo group at position 17. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS relative retention time with respect to 9-anthracene Carboxylic Acid is 1.174 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.175 Disclaimer: While authors make an effort to ensure that the content of this record is accurate, the authors make no representations or warranties in relation to the accuracy or completeness of the record. This record do not reflect any viewpoints of the affiliation and organization to which the authors belong. Estrone (E1) is a natural estrogenic hormone. Estrone is the main representative of the endogenous estrogens and is produced by several tissues, especially adipose tissue. Estrone is the result of the process of aromatization of androstenedione that occurs in fat cells[1][2]. Estrone (E1) is a natural estrogenic hormone. Estrone is the main representative of the endogenous estrogens and is produced by several tissues, especially adipose tissue. Estrone is the result of the process of aromatization of androstenedione that occurs in fat cells[1][2].
C15H26O4_1H-Indene-4-carboxylic acid, octahydro-3a-hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl
C15H26O4_(1S,4R,4aS,8aS)-1,2-Bis(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-1,4-naphthalenediol
C15H26O4_1,2-Naphthalenedimethanol, 1,4,4a,5,6,7,8,8a-octahydro-1,4-dihydroxy-5,5,8a-trimethyl
doxylamine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AA - Aminoalkyl ethers D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
2,2-Bis(4-hydroxyphenyl)-4-methylpentane
CONFIDENCE standard compound; INTERNAL_ID 1178; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4804; ORIGINAL_PRECURSOR_SCAN_NO 4803 CONFIDENCE standard compound; INTERNAL_ID 1178; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4817; ORIGINAL_PRECURSOR_SCAN_NO 4815 CONFIDENCE standard compound; INTERNAL_ID 1178; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4774; ORIGINAL_PRECURSOR_SCAN_NO 4772 CONFIDENCE standard compound; INTERNAL_ID 1178; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4796; ORIGINAL_PRECURSOR_SCAN_NO 4794 CONFIDENCE standard compound; INTERNAL_ID 1178; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4834; ORIGINAL_PRECURSOR_SCAN_NO 4832 CONFIDENCE standard compound; INTERNAL_ID 1178; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8887; ORIGINAL_PRECURSOR_SCAN_NO 8882 CONFIDENCE standard compound; INTERNAL_ID 1178; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8903; ORIGINAL_PRECURSOR_SCAN_NO 8901 CONFIDENCE standard compound; INTERNAL_ID 1178; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8923; ORIGINAL_PRECURSOR_SCAN_NO 8921 CONFIDENCE standard compound; INTERNAL_ID 1178; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8953; ORIGINAL_PRECURSOR_SCAN_NO 8951 CONFIDENCE standard compound; INTERNAL_ID 1178; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8970; ORIGINAL_PRECURSOR_SCAN_NO 8969 CONFIDENCE standard compound; INTERNAL_ID 1178; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8944; ORIGINAL_PRECURSOR_SCAN_NO 8942
3a-Hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyloctahydro-1H-indene-4-carboxylic acid
ST 18:4;O2
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
N,N-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanediimine
(1,4,7,10TETRAAZA-CYCLODODEC-1-YL)-ACETIC ACID ALLYL ESTER
tert-Butyl 2-oxo-1-oxa-3,9-diazaspiro[5.5]undecane-9-carboxylate
1,3-ditert-butyl-4,5-dihydroimidazol-1-ium,tetrafluoroborate
(4S,5S)-2-Butyl-N4,N4,N5,N5-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide
tert-butyl 2-oxo-4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate
1-(PIPERIDIN-4-YL)SPIRO[CYCLOPENTANE-1,3-INDOLIN]-2-ONE
tert-butyl 3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
1-Oxa-7-azaspiro[4.5]decane-7-carboxylic acid, 3-(aminomethyl)-, 1,1-dimethylethyl ester
(8-Benzyl-1-oxa-8-azaspiro[4.5]dec-2-yl)acetonitrile
1-Oxa-8-azaspiro[4.5]decane-8-carboxylic acid,2-(aminomethyl)-,1,1-dimethylethyl ester
1-Oxa-8-azaspiro[4.5]decane-8-carboxylic acid, 3-(aminomethyl)-, 1,1-dimethylethyl ester
1-Tert-Butyl 3-Ethyl 4-Amino-5,6-Dihydropyridine-1,3(2H)-Dicarboxylate
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,3,4,5,6-pentadeuteriophenyl)propanoic acid
C14H14D5NO4 (270.16278729000004)
Phenol,4,4-[(1R,2R)-1,2-diethyl-1,2-ethanediyl]bis-, rel-
2-methyloxirane,oxirane,propane-1,2-diol,propane-1,2,3-triol
4-[1-(furan-2-ylmethylamino)but-3-enyl]-N,N-dimethylaniline
duolite a-7 ion-exchange resin
It is used as a food additive .
2-butyl-[1,3,2]dioxaborolane-4,5-dicarboxylic acid bis-dimethylamide
1-((2R,4S,5R)-4-HYDROXY-5-TRITYLOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-5-METHYL-1H-PYRIMIDINE-2,4-DIONE
3-(3-CARBOXY-AZETIDIN-1-YL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
N,N-Bis(4-aminophenyl)-N,N-dimethylethylenediamine
(1R,2R,4S,5S,6R,7S)4,5-Epoxygermacra-9Z-en-1,2,6-triol
A germacrane sesquiterpenoid that is 4,5-epoxygermacra-9Z-ene substituted by hydroxy groups at positions 1, 2 and 6. Isolated from Santolina insularis, it exhibits cytotoxicity against human colon carcinoma cell line.
2,5,5,11-Tetramethyl-8-isopropyl-4,7,9-trioxa-1,11-dodecadiene
7-{[(Cyclohexylamino)carbonyl]amino}heptanoic acid
N-{8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octyl}formamide
3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalene-1,4-diol
2-[(1E,3E,5E)-3,7-Dimethylnona-1,3,5,8-tetraenyl]-1,3,3-trimethylcyclohexene
[3-carboxy-2-[(2E,4E)-hepta-2,4-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,5E)-hepta-2,5-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,5E)-hepta-3,5-dienoyl]oxypropyl]-trimethylazanium
(13S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
13,14,15,16-Tetranorlabdane-8alpha,12,18-triol
A diterpenoid that is 13,14,15,16-tetranorlabdane substituted by hydroxy grousp at positions 8, 12 and 18. It has been isolated from the aerial parts of Crassocephalum mannii and has been shown to exhibit COX-1 and COX-2 activity.
3a-Hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2,4,5,6,7,7a-hexahydroindene-4-carboxylic acid
(2E)-16-hydroxyhexadec-2-enoic acid
An omega-hydroxy fatty acid that is trans-2-hexadecenoic acid in which one of the hydrogens of the terminal methyl group has been replaced by a hydroxy group.
2-[2-[(4-Phenylphenyl)methylamino]ethylamino]ethanol
(8R,9S,13S,14R)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
(2E,6E,10S)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoic acid
(2E,15R)-15-hydroxyhexadec-2-enoic acid
An (omega-1)-hydroxy fatty acid that is (E)-hexadec-2-enoic acid in which the 15-pro-R hydrogen is replaced by a hydroxy group.
(2R,3R)-2-ethyl-3-hydroxy-4-[2-[(3S)-3-methyl-2-oxopentyl]cyclopropyl]butanoic acid
3,4,5,6-Tetrahydro-(6alpha)-hydroxymethyl-(3alpha)-methyl-(6beta)-nonyl-2H-pyran-2-one
Estra-1,3,5(10),6-tetraene-3,17-diol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
16-oxohexadecanoic acid
An omega-oxo fatty acid derived from hexadecanoic acid.
3-oxopalmitic acid
An oxo-fatty acid comprising palmitic acid having an oxo group at the 3-position; an intermediate in fatty acid biosynthesis.
1-Methyl-4-[(8E)-10-methyl-6-methylene-8-undecen-2-yl]benzene
estra-1,3,5(10),7-tetraene-3,17alpha-diol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
7,8-didehydro-17beta-estradiol
A 3-hydroxy steroid that is obtained by formal dehydrogenation across positions 7 and 8 of 17beta-estradiol.
(1r,2r,4ar,6s,8as)-6-[(2s)-1,2-dihydroxypropan-2-yl]-8a-methyl-4-methylidene-octahydronaphthalene-1,2-diol
2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.0⁴,¹²]dodecane-7,11,12-triol
1-[(1e,3s)-3-ethenyl-3,7-dimethylocta-1,6-dien-1-yl]-4-methoxybenzene
3,6-dihydroxy-2,5,5,8a-tetramethyl-octahydronaphthalene-1-carboxylic acid
(1r,2r,5r,6r)-6-[(3s)-3,4-dihydroxy-4-methylpentyl]-2-hydroxy-2,6-dimethylbicyclo[3.1.1]heptan-3-one
4-[(1s,2r,3r)-3-[(4s,5r)-2-hydroxy-5-methyloxan-4-yl]-2-(hydroxymethyl)-2-methylcyclopropyl]butan-2-one
1-[(2r,5e)-6,10-dimethylundeca-5,9-dien-2-yl]-4-methylbenzene
6-[(1s,3s,4r)-3,4-dihydroxy-4-methylcyclohexyl]-2-methylhept-5-enoic acid
(1s,2s,3r,6r,7r,8s)-8-isopropyl-1-methyl-5-methylidene-11-oxabicyclo[4.4.1]undecane-2,3,7-triol
1,4a-dimethyl-7-(prop-1-en-2-yl)-hexahydro-2h-naphthalene-1,2,6,7-tetrol
(3ar,3bs,9bs,11as)-7-hydroxy-11a-methyl-2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-1-one
(2r,6s)-2,6-dihydroxy-3,3,5,5-tetramethyl-2-pentylcyclohexane-1,4-dione
(1s)-7-[(2e)-but-2-enoyl]-1,3,3,6-tetramethyl-2h-indene-1-carbaldehyde
2-[6-(5-ethenyl-5-methyloxolan-2-yl)-6-methyl-1,2-dioxan-3-yl]propan-2-ol
(1r,4r,5s,6s,7s)-4,10-dimethyl-7-[(2z)-6-methylhepta-2,5-dien-2-yl]tricyclo[4.4.0.0¹,⁵]dec-9-ene
5-(1,2-dihydroxypropan-2-yl)-2-methyl-2-(4-oxopentyl)cyclohexan-1-one
(1s,3r,3as,6r,8s,8as)-8-(hydroxymethyl)-5-isopropyl-3-methyl-2,3,3a,6,7,8a-hexahydro-1h-azulene-1,6,8-triol
(1s,2r,3e,5s,9s)-9-hydroperoxy-5-isopropyl-2-methyl-8-methylidenecyclodec-3-ene-1,2-diol
(1s,4r,9r,13r)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-10-ene
methyl (7e,9e,15e)-heptadeca-7,9,15-trien-11,13-diynoate
11-Hexadecanoic acid
{"Ingredient_id": "HBIN000426","Ingredient_name": "11-Hexadecanoic acid","Alias": "NA","Ingredient_formula": "C16H30O3","Ingredient_Smile": "CCCCCC(=O)CCCCCCCCCC(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36042","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}