Exact Mass: 292.2214
Exact Mass Matches: 292.2214
Found 500 metabolites which its exact mass value is equals to given mass value 292.2214,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Carteolol
Carteolol is only found in individuals that have used or taken this drug. It is a beta-adrenergic antagonist used as an anti-arrhythmia agent, an anti-angina agent, an antihypertensive agent, and an antiglaucoma agent. [PubChem]The primary mechanism of the ocular hypotensive action of carteolol in reducing intraocular pressure is most likely a decrease in aqueous humor production. This process is initiated by the non-selective beta1 and beta2 adrenergic receptor blockade. C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01ED - Beta blocking agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
3b,17b-Dihydroxyetiocholane
The unspecified form of the steroid, normally a major metabolite of testosterone with androgenic activity. It has been implicated as a regulator of gonadotropin secretion. [HMDB] The unspecified form of the steroid, normally a major metabolite of testosterone with androgenic activity. It has been implicated as a regulator of gonadotropin secretion.
12-oxo-PDA
12-oxo-pda, also known as (15z)-12-oxophyto-10,15-dienoate or 12-oxo-10,15(Z)-phytodienoic acid, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid. Thus, 12-oxo-pda is considered to be an octadecanoid lipid molecule. 12-oxo-pda is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 12-oxo-pda can be found in corn, which makes 12-oxo-pda a potential biomarker for the consumption of this food product. D006133 - Growth Substances > D010937 - Plant Growth Regulators
16alpha-Hydroxysteroid
Steroid hydroperoxide
FA 18:4;O
A long-chain, divinyl ether fatty acid composed of 8-nonenoic acid in which the E-hydrogen at position 9 is substituted by a (1E,3Z,6Z)-nona-1,3,6-trien-1-yloxy group.
(2'E,4'Z,7'Z,8E)-Colnelenic acid
Product of enzymic oxidation of potato lipids. (2E,4Z,7Z,8E)-Colnelenic acid is found in alcoholic beverages and potato. (2E,4Z,7Z,8E)-Colnelenic acid is found in alcoholic beverages. Product of enzymic oxidation of potato lipid
Thioperamide
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D002491 - Central Nervous System Agents > D000927 - Anticonvulsants Thioperamide (MR-12842) is a potent, orally available, brain penetrant and selective H3 receptor antagonist with a Ki of 4.3 nM for inhibition of [3H]histamine release. Thioperamide inhibits [3H]histamine synthesis with a Ki of 31 nM[1].
3a,17a-Dihydroxy-5b-androstane
The unspecified form of the steroid, normally a major metabolite of testosterone with androgenic activity. It has been implicated as a regulator of gonadotropin secretion.;3a,17a-Dihydroxy-5b-androstane is a metabolite of natural androgens (testosterone, epitestosterone, dihydrotestosterone, and dehydroepiandrosterone) present in small amount in the urine of normal individuals (PMID 9381514) [HMDB] The unspecified form of the steroid, normally a major metabolite of testosterone with androgenic activity. It has been implicated as a regulator of gonadotropin secretion.3a,17a-Dihydroxy-5b-androstane is a metabolite of natural androgens (testosterone, epitestosterone, dihydrotestosterone, and dehydroepiandrosterone) present in small amount in the urine of normal individuals (PMID 9381514). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
5alpha-Androstane-3beta,17beta-diol
Androstane-3,17-diol is a metabolite of dihydrotestosterone. It doesnt bind androgen receptors, but efficiently binds the estrogen receptor beta and inhibits prostate cancer cell migration through the activation of estrogen receptor beta. (PMID 15958594) [HMDB] Androstane-3,17-diol is a metabolite of dihydrotestosterone. It doesnt bind androgen receptors, but efficiently binds the estrogen receptor beta and inhibits prostate cancer cell migration through the activation of estrogen receptor beta (PMID: 15958594).
5a-Androstane-3a,17b-diol
The 5alpha-stereoisomer of androstane-3alpha,17beta-diol.
Panaquinquecol 1
Panaquinquecol 1 is found in tea. Panaquinquecol 1 is found in American ginseng (Panax quinquefolium). Found in American ginseng (Panax quinquefolium)
(S)-3-Octanol glucoside
(S)-3-Octanol glucoside is found in herbs and spices. (S)-3-Octanol glucoside is a constituent of spearmint (Mentha spicata var. crispa). Constituent of spearmint (Mentha spicata variety crispa). (S)-3-Octanol glucoside is found in herbs and spices.
[7]-Paradol
Constituent of Amomum melegueta (grains of paradise). [7]-Paradol is found in alcoholic beverages, herbs and spices, and ginger. [7]-Paradol is found in alcoholic beverages. [7]-Paradol is a constituent of Amomum melegueta (grains of paradise).
5alpha-androstan-3alpha,17alpha-diol monosulfate
3beta,17alpha-Dihydroxy-5alpha-androstane is a steroid found in the monosulfate fraction of normal human feces. Several steroids identified in the disulfate fraction of human bile are found in the monosulfate fraction of human feces, indicating partial hydrolysis of diconjugates in the intestine. The androstanediols and pregnanediols found in the feces are primarily of a 3beta-hydroxy-5alpha- or 3beta-hydroxy-5beta-structure, whereas those in the bile are of a 3alpha-hydroxy-5alpha- or 3alpha-hydroxy-5beta-structure. This suggests the conversion of a 3alpha-hydroxyl to a 3beta-hydroxyl in the intestine in vivo. 3beta,17alpha-Dihydroxy-5alpha-androstane is also found unconjugated in normal human plasma (PMID: 4245755, 4223807, 4321841, 1769135). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents
5alpha-Androstane-3alpha,17alpha-diol
5alpha-Androstane-3alpha,17a-diol 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. 5alpha-Androstane-3alpha,17a-diol is a steroid found in feces from pregnant women (PMID: 5440628), the monosulfate and disulfate fractions from normal human feces (PMID: 4245755), and the glucuronide and mono- and disulphate conjugates of neutral steroids in human bile (PMID: 5493463). 5a-Androstane-3a,17a-diol is an steroid found in feces from pregnant women (PMID 5440628), primarily in the monosulfate and disulfate fractions from normal human (PMID 4245755), and glucuronide and mono- and disulphate conjugates of neutral steroids in human bile (PMID 5493463) [HMDB]
Androstanediol
PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) is a phosphatidylcholine (PC or GPCho). It is a glycerophospholipid in which a phosphorylcholine moiety occupies a glycerol substitution site. As is the case with diacylglycerols, glycerophosphocholines can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)), in particular, consists of one chain of eicosapentaenoic acid at the C-1 position and one chain of docosapentaenoic acid at the C-2 position. The eicosapentaenoic acid moiety is derived from fish oils, liver and kidney, while the docosapentaenoic acid moiety is derived from animal fats and brain. Phospholipids, are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Androstanediol is a metabolite of dihydrotestosterone, itself a metabolite of testosterone. Androstanediol is implicated in the regulation of gonadotropin secretion. As a metabolite of dihydroxytestosterone formed in the peripheral tissues, androstanediol and androstnediol-glucuronide can be used to estimate peripheral androgen activity. Androstanediol is a potential GABA (A) receptor-modulating neurosteroid with anticonvulsant properties and hence could act as a key neuromodulator in the central nervous system. It is considered that androstanediol has hedonic effects; therefore it is anticipated that androgens that are readily metabolized to androstanediol may have higher abuse potential than androgens that are not as easily metabolized to androstanediol. These results add to the growing literature indicating that athletes and non-athletes may be at considerable risk when they abuse androgens. (PMID: 11500254, 16040068, 11744084).
Etiocholanediol
Etiocholanediol is one of the compounds tested to allow for the unequivocal identification of the presence of urinary anabolic steroids and metabolites banned for use in sport by athletes. In urine samples collected for anti-doping purposes with moderately elevated testosterone and epitestosterone ratio, or when a suspicion of manipulation of the sample occurs, Etiocholanediol is tested for further clarification. It is worth mentioning that the concentration parameters vary enormously according to the gender of the subjects, ethnic origin, the urine collection period (before or after effort, period of the day) and the hydration state of the athlete. Urinary steroid data using several methodologies are not appropriate for identification purposes and to an extent not unique to individuals. (PMID: 16337352, 16338181, 16337352, 17260133) [HMDB] Etiocholanediol is one of the compounds tested to allow for the unequivocal identification of the presence of urinary anabolic steroids and metabolites banned for use in sport by athletes. In urine samples collected for anti-doping purposes with moderately elevated testosterone and epitestosterone ratio, or when a suspicion of manipulation of the sample occurs, Etiocholanediol is tested for further clarification. It is worth mentioning that the concentration parameters vary enormously according to the gender of the subjects, ethnic origin, the urine collection period (before or after effort, period of the day) and the hydration state of the athlete. Urinary steroid data using several methodologies are not appropriate for identification purposes and to an extent not unique to individuals. (PMID: 16337352, 16338181, 16337352, 17260133).
Dihydroandrosterone
Dihydroandrosterone is a major metabolite of testosterone. Dihydroandrosterone is the main steroid produced by the immature ovary; at puberty the synthesis of steroids shifts toward 4-ene-3-oxo steroids. testosterone 5a-reduced metabolites, including dihydrotestosterone are produced in the anterior pituitary and the central nervous system. Anabolic androgen steroid (AAS) are one of primary performance-enhancing substances abused by athletes. To defeat doping controls, athletes changed to take endogenous androgens from the application of synthetic AAS. testosterone was one candidate of endogenous androgens abused in sports. testosterone and its relevant steroids in urine is detected and monitored with GC/MS. The abuse of anabolic-androgenic steroids (AS) is a growing problem; however, the effects and mechanisms underlying their addictive effects are not well understood. (PMID: 17112575, 6243214, 491593, 491592) [HMDB] Dihydroandrosterone is a major metabolite of testosterone. Dihydroandrosterone is the main steroid produced by the immature ovary; at puberty the synthesis of steroids shifts toward 4-ene-3-oxo steroids. testosterone 5a-reduced metabolites, including dihydrotestosterone are produced in the anterior pituitary and the central nervous system. Anabolic androgen steroid (AAS) are one of primary performance-enhancing substances abused by athletes. To defeat doping controls, athletes changed to take endogenous androgens from the application of synthetic AAS. testosterone was one candidate of endogenous androgens abused in sports. testosterone and its relevant steroids in urine is detected and monitored with GC/MS. The abuse of anabolic-androgenic steroids (AS) is a growing problem; however, the effects and mechanisms underlying their addictive effects are not well understood. (PMID: 17112575, 6243214, 491593, 491592).
Dimethindene
Dimethindene is only found in individuals that have used or taken this drug. It is an antihistamine/anticholinergic used orally and locally as an antipruritic.Dimethindene is a selective histamine H1 antagonist and binds to the histamine H1 receptor. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine. D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AB - Substituted alkylamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents
Androstan-3alpha,17beta-diol
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.
(17S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Methyl [6]-paradol
Methyl [6]-paradol is a member of the class of compounds known as dimethoxybenzenes. Dimethoxybenzenes are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. Methyl [6]-paradol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Methyl [6]-paradol can be found in ginger, which makes methyl [6]-paradol a potential biomarker for the consumption of this food product.
cis-12-Oxophytodienoic acid
Cis-12-oxophytodienoic acid, also known as 12-oxo-cis-10, cis-15-phytodienoic acid or 12-oxo-pda, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid. Cis-12-oxophytodienoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Cis-12-oxophytodienoic acid can be found in flaxseed, which makes cis-12-oxophytodienoic acid a potential biomarker for the consumption of this food product.
2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane
N-[3-(6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinolin-1-yl)-propyl]-guanidine
Methyl linolenate
Methyl linolenate prevents the oxidation or pre-oxidation of unsaturated fatty acid methyl esters. Methyl linolenate prevents the oxidation or pre-oxidation of unsaturated fatty acid methyl esters.
6-isopropyl-3-(4-isopropylphenyl)-3,4-dihydroquinazoline
9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester
8-[3-oxo-2-[(E)-pent-2-enyl]cyclopenten-1-yl]octanoic acid
1COOH-2But-A7EO3
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); Could be alkyl homologue of given structure; Digitised from figure: approximate intensities
(3S,2E)-2-(11-dodecenylidene)-3-methoxy-4-methylenebutanolide
(-)-ecklonialactone B|Ecklonialactone B|ecklonialactone-B
(12E)-8-hydroxy-15-nor-12-labden-14-al|15-nor-8-hydroxy-12E-labdan-14-al
14,15-dinor-13-oxo-8(17)-labden-19-oic acid|15,16-Bisnor-13-oxo-8(17)-labden-19-oic acid
(-)-(1R,2S,6R,10S)-2alpha-acetoxy-11-methoxyamorpha-4,7-diene
7,8-dihydroxy-15,16-dinorlabda-8(20),11-dien-13-one|amentotaxin B
cis-Octadec-9-en-12-in-1-saeuremethylester|cis-Octadecen-(9)-in-(12)-saeuremethylester, Crepenynsaeuremethylester|Crepeninsaeuremethylester (Methyl Crepenynate)|methyl cis-octadec-9-en-12-ynoate|methyl crepenynate|Methyl-cis-9-octadecen-12-inoat (Crepeninsaeuremethylester)|Octadeca-9c-en-12-in-carbonsaeuremethylester
E-11-octadecen-9-ynoic acid methyl ester|methyl 11-trans-octadecen-9-ynoate|methyl santalbate|methyl trans-octadec-11-en-9-ynoate|octadec-11t-en-9-ynoic acid methyl ester|trans-ximenynic acid methyl ester|ximenynic acid methyl ester
3,3,7,12a-tetramethyl-1,2,3,4,4a,11,12,12a-octahydrochrysene
(10E,14Z)-9-Hydroxy-10,14-octadien-12-ynoic acid|(10E,14Z)-9-hydroxyoctadeca-10,14-dien-12-ynoic acid
(2Z,6R,8R,9E)-[3-ethyl-5-(2-ethylhex-3-enyl)-6-methyl-5H-furan-2-ylidene]acetic acid methyl ester
(+)-11,12-didehydroaristoteline|dehydro-9,10 aristoteline
(5SR,8SR,9SR,10RS,13SR)-3,13-dihydroxy-15,16-dinorlabr-3-en-2-one|tagalsin P
(9Z,12Z)-(+)-form-7-Hydroxy-9,12-octadecadien-5-ynoic acid
(9S,10E,16R)-octadec-10-ene-12,14-diyne-1,9-16-triol
Methyl-17-octadecen-9-inoat|Octadec-17-en-9-insaeure-methylester
13-Ethoxy-lupanin|9-ethoxy-dodecahydro-7,14-methano-dipyrido[1,2-a;1,2-e][1,5]diazocin-4-one
3-(5-isopropyl-7-methylene-5,6,7,7a-tetrahydro-3H-pyrrolizin-3-ylmethyl)-indole|Pedunculanin
2-(2-Aethyl-4,5-dimethoxy-phenaethyl)-3-methyl-valeraldehyd|2-(2-ethyl-4,5-dimethoxy-phenethyl)-3-methyl-valeraldehyde
N-Butyl,diethylaminoethyl ester-4-Aminobenzoic acid
1-(3,4-dihydroxyphenyl)dodecan-5-one|1-(3,4-Dihydroxyphenyl)-5-dodecanone
2,2,6-Trimethyl-4-(4-quinolinyl)-3-azabicyclo[3.3.1]non-6-ene
(11S,16S,9Z)-9-octadecene-12,14-diyne-1,11,16-triol|oplopantriol B
(R)-(E)-8-Hydroxy-11,17-octadecadien-9-ynoic acid|8-Hydroxy-octadecadien-(trans-11,17)-in-(9)-saeure|8-hydroxy-trans-11,17-octadecadien-9-ynoic acid
Chrysene, 1,2,3,4,4a,11,12,12a-octahydro-3,4,7,12a-tetramethyl-
(3Z,6R,7S,9R,10S)-6,7:9,10-bisepoxynonadeca-3,18-diene
Methyllinolenate
Methyl linolenate is a fatty acid methyl ester derived from alpha-linolenic acid. It has a role as a plant metabolite and an insect attractant. It is functionally related to an alpha-linolenic acid. Methyl linolenate is a natural product found in Hedysarum polybotrys, Azadirachta indica, and other organisms with data available. A fatty acid methyl ester derived from alpha-linolenic acid. Methyl linolenate prevents the oxidation or pre-oxidation of unsaturated fatty acid methyl esters. Methyl linolenate prevents the oxidation or pre-oxidation of unsaturated fatty acid methyl esters.
ETIOCHOLANDIOL
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.
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
C18H28O3_8-{(1S,5R)-4-Oxo-5-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl}octanoic acid
C19H32O2_14-(Hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecan-5-ol
C18H28O3_2H-Pyran-2-one, tetrahydro-4-hydroxy-6-[2-(1,2,4a,5,6,7,8,8a-octahydro-2-methyl-1-naphthalenyl)ethyl]
5α-Androstane-3β,17β-diol
An androstane-3,17-diol that is 5alpha-androstane substituted by beta-hydroxy groups at positions 3 and 17. It is a metabolite of dihydrotestosterone.
Androstane-3,17-diol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents
14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-ol
4-hydroxy-6-[2-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)ethyl]oxan-2-one
CARTEOLOL
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01ED - Beta blocking agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-ol_major
14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-ol_95.7\\%
Methyl γ-linolenate
A fatty acid methyl ester obtained from the formal condensation of methanol and gamma-linolenic acid.
dimethindene
D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AB - Substituted alkylamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents
14-(Hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-5-ol
4-Hydroxy-6-[2-(2-methyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl)ethyl]tetrahydro-2H-pyran-2-one
Ectocarpin A
ST 19:0;O2
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents
tert-Butyl (3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-ylcarbamate
tert-butyl 4-[3-(hydroxymethyl)phenyl]piperazine-1-carboxylate
2-(4-Cyclohexylaminomethyl-2-methoxy-phenoxy)-acetamide
2,6-bis[(3-methoxypropyl)amino]-4-methylnicotinonitrile
2-(1-CYCLODODECEN-1-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
(1S,4R,5R,6R)-N,N,N,N-tetraethylbicyclo[2.2.1]hept-2-ene-5,6-dicarboxamide
N,N-dimethyl-3-(11-methylidene-6H-benzo[c][1]benzazepin-5-yl)propan-1-amine
Octyl alpha-D-glucopyranoside
D013501 - Surface-Active Agents > D003902 - Detergents
(S)-BENZYL (1-(ISOPROPYLAMINO)-3-METHYL-1-OXOBUTAN-2-YL)CARBAMATE
Leucinocaine
C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
2-Fluoro-6-(pyrrolidin-1-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propanohydrazide
3-(2-METHOXY-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-(3-HYDROXYPHENYL)-1,4-DIAZEPANE, N1-BOC PROTECTED 95TERT-BUTYL 4-(3-HYDROXYPHENYL)PERHYDRO-1,4-DIAZEPINE-1-CARBOXYLATE
3-(4-METHOXY-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(3-METHOXY-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-Fluoro-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine
1-[[4-(diethoxymethyl)phenyl]methyl]-4-methylpiperazine
5-Fluoro-1-triisopropylsilanyl-1H-pyrrolo[2,3-b]pyridine
(2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid,(1R)-1-phenylethanamine
tert-butyl 4-(3,4-diaminophenyl)piperazine-1-carboxylate
(3S,4S)-TERT-BUTYL 3-(BENZYLAMINO)-4-HYDROXYPYRROLIDINE-1-CARBOXYLATE
tert-butyl 4-[4-(aminomethyl)pyridin-2-yl]piperazine-1-carboxylate
Guanidine,N,N-1,10-decanediylbis-, hydrochloride (1:2)
TERT-BUTYL 4-(HYDROXYMETHYL)-4-(PYRIDIN-2-YL)PIPERIDINE-1-CARBOXYLATE
TERT-BUTYL 4-(HYDROXYMETHYL)-4-(PYRIDIN-4-YL)PIPERIDINE-1-CARBOXYLATE
6-(2-(Dimethylamino)ethoxy)pyridine-3-boronic acid pinacol ester
Propanoic acid,2-methyl-, 1-ethenyl-1,5,9-trimethyl-4,8-decadien-1-yl ester
[2-Fluoro-4-(trans-4-pentylcyclohexyl)phenyl]boronic acid
(1R,3aR,7aR)-1-((2R,5S,Z)-6-hydroxy-5,6-dimethylhept-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-one
1-Propanol,3,3,3,3-(1,2-ethanediyldinitrilo)tetrakis-
(S)-TERT-BUTYL (1-(3-AMINOPYRIDIN-4-YL)PIPERIDIN-3-YL)CARBAMATE
tert-Butyl 4-(4-aminophenoxy)piperidine-1-carboxylate
tert-butyl 4-(2-aminophenoxy)piperidine-1-carboxylate
[1-(2-hydroxymethyl-phenyl)-pyrrolidin-3-yl]-carbamic acid tert-butyl ester
3-(4-AMINOPHENOXY)PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
TERT-BUTYL 4-((2-AMINOPYRIDIN-3-YL)AMINO)PIPERIDINE-1-CARBOXYLATE
Octyl β-D-glucopyranoside
An beta-D-glucoside in which the anomeric hydrogen of beta-D-glucopyranose is substituted by an octyl group. D013501 - Surface-Active Agents > D003902 - Detergents
4-Fluoro-19-nortestosterone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
1-(2-(2-Methyl-5-pyridyl)ethyl)-3-propyl-2-methylindole
8-[(1R,5R)-4-oxo-5-[(E)-pent-2-enyl]cyclopent-2-en-1-yl]octanoic acid
8-(3-Oxo-2-(pent-2-enyl) cyclopentenyl)octanoic acid
(9Z,11Z,14E,16Z)-13-Oxa-9,11,14,16-nonadecatetraenoic acid
(+-)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one(1+)
8-[2-oxo-5-[(Z)-pent-2-enyl]cyclopent-3-en-1-yl]octanoic acid
12-Oxophytodienoic acid
D006133 - Growth Substances > D010937 - Plant Growth Regulators
8-(2-(cis-2-Pentenyl)-3-oxo-cis-4-cyclopentenyl)octanoic acid
D006133 - Growth Substances > D010937 - Plant Growth Regulators
(E,11Z)-11-[3-[(E)-pent-2-enyl]oxiran-2-ylidene]undec-9-enoic acid
[3-Carboxy-2-(3,5-dihydroxy-3-methylpentanoyl)oxypropyl]-trimethylazanium
9s,13r-12-Oxophytodienoic Acid
D006133 - Growth Substances > D010937 - Plant Growth Regulators
(9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoic acid
A long-chain trienoic fatty acid consisting of octadecanoic acid having the three double bonds at positions 9, 11 and 15 as well as an epoxy ring linking positions 12 and 13.
(3R,5R,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
N-(3-methylbutyl)-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
(Z)-10-[(1R,2S,3S,5S)-3-[(E)-prop-1-enyl]-6-oxabicyclo[3.1.0]hexan-2-yl]dec-9-enoic acid
(7E,11E)-1-(2-Hydroxyethyl)-2,3-epoxy-1,7,11-trimethylcyclotetradecadiene
(Z,Z,Z)-6,12,15-Octadecatrienoic acid methyl ester
3,4-Dihydro-7-hydroxy-6-hexyl-2-methyl-2H-1-benzopyran-2-ethanol
3-Isopropenyl-5-(2-methyl-1-trimethylsilylmethyl-2-propenyl)-5-methylcyclohexan-1-one
8-[2-oxo-5-[(E)-pent-2-enyl]cyclopent-3-en-1-yl]octanoic acid
[1-Carboxy-3-(2-hydroxy-3-propanoyloxypropoxy)propyl]-trimethylazanium
2-[(5E,9Z)-2,6,10-trimethyl-15-oxabicyclo[12.1.0]pentadeca-5,9-dien-2-yl]ethanol
12-oxo-phytodienoic acid
D006133 - Growth Substances > D010937 - Plant Growth Regulators
alpha-Licanic acid
A trienoic fatty acid comprising alpha-eleostearic acid having a 4-oxo substituent.
3-hydroperoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
(9Z,15Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoic acid
5alpha-androstane-3beta,17alpha-diol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents
(9R,13R)-12-oxophytodienoic acid
The (9R,13R)-diastereomer of 12-oxophytodienoic acid.
11,17-Octadecadien-9-ynoic acid, 8-hydroxy-, (E)-(-)-
(1r,4ar,5s,8ar)-5-[(3e)-5-hydroxy-3-methylpent-3-en-1-yl]-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalen-1-ol
3-(1-methoxydodec-11-en-1-yl)-5-methylidenefuran-2-one
4-[3-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]but-3-en-2-one
(6z,8e,10s,12z,15z)-10-hydroxyoctadeca-6,8,12,15-tetraenoic acid
(5s)-5-methyl-3-[(1e)-tetradec-1-en-1-yl]-5h-furan-2-one
(2r)-2-[4-methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]oxirane
5-methyl-3-[(1e)-tetradec-1-en-1-yl]-5h-furan-2-one
3-ethenyl-3,4a,7,10a-tetramethyl-octahydro-1h-naphtho[2,1-b]pyran-7-ol
(8r,9s,10s)-10-methoxyheptadec-16-en-4,6-diyne-8,9-diol
3-({6-isopropyl-8-methylidene-6-azabicyclo[3.2.1]oct-3-en-7-yl}methyl)-1h-indole
(8r)-8-hydroxy-2-nonyl-5,6,7,8-tetrahydrochromen-4-one
10-{2-[3-(pent-2-en-1-yl)oxiran-2-yl]ethenyl}oxecan-2-one
(3e,4s)-3-(dodec-11-en-1-ylidene)-4-methoxy-5-methylideneoxolan-2-one
10-methoxyheptadeca-1-ene-4,6-diyne-3,9-diol
{"Ingredient_id": "HBIN000167","Ingredient_name": "10-methoxyheptadeca-1-ene-4,6-diyne-3,9-diol","Alias": "NA","Ingredient_formula": "C18H28O3","Ingredient_Smile": "CCCCCCCCC(C(C#CC#CC(C=C)O)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31544","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
15,16-bisnor-13-oxo-8(17)-labden-19-oicacid
{"Ingredient_id": "HBIN001563","Ingredient_name": "15,16-bisnor-13-oxo-8(17)-labden-19-oicacid","Alias": "NA","Ingredient_formula": "C18H28O3","Ingredient_Smile": "CC(=O)CCC1C(=C)CCC2C1(CCCC2(C)C(=O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14492","TCMID_id": "2489","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-dehydroxy-5-o-methylembelin
{"Ingredient_id": "HBIN005522","Ingredient_name": "2-dehydroxy-5-o-methylembelin","Alias": "NA","Ingredient_formula": "C18H28O3","Ingredient_Smile": "CCCCCCCCCCCC1=CC(=O)C=C(C1=O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4986","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3alpha,17-dihydroxy-5beta-androstane
{"Ingredient_id": "HBIN007902","Ingredient_name": "3alpha,17-dihydroxy-5beta-androstane","Alias": "NA","Ingredient_formula": "C19H32O2","Ingredient_Smile": "CC12CCC(CC1CCC3C2CCC4(C3CCC4O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25916","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,8-dihydroxy-2-(1-beta,beta-dimethylacryloyloxy-4-methylpentyl)-1,4-naphthoquinone
{"Ingredient_id": "HBIN011335","Ingredient_name": "5,8-dihydroxy-2-(1-beta,beta-dimethylacryloyloxy-4-methylpentyl)-1,4-naphthoquinone","Alias": "NA","Ingredient_formula": "C21H24O","Ingredient_Smile": "NA","Ingredient_weight": "372.417","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7703","PubChem_id": "NA","DrugBank_id": "NA"}
5 alpha-androstan-3,17-dione
{"Ingredient_id": "HBIN011406","Ingredient_name": "5 alpha-androstan-3,17-dione","Alias": "5\u03b1-androstan-3,17-dione","Ingredient_formula": "C19H32O2","Ingredient_Smile": "CC12CCC(CC1CCC3C2CCC4(C3CCC4O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30600;1165","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5α-androstane-3β,17α-diol
{"Ingredient_id": "HBIN011407","Ingredient_name": "5\u03b1-androstane-3\u03b2,17\u03b1-diol","Alias": "NA","Ingredient_formula": "C19H32O2","Ingredient_Smile": "CC12CCC(CC1CCC3C2CCC4(C3CCC4O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1167","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5 beta-androstan-3 alpha,17 alpha-diol
{"Ingredient_id": "HBIN011459","Ingredient_name": "5 beta-androstan-3 alpha,17 alpha-diol","Alias": "5\u03b2-androstan-3\u03b1,17\u03b1-diol","Ingredient_formula": "C19H32O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30598;1163","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
annosquamosin c
{"Ingredient_id": "HBIN016234","Ingredient_name": "annosquamosin c","Alias": "NA","Ingredient_formula": "C19H32O2","Ingredient_Smile": "CC12CCCC(C1CCC34C2CCC(C3)C(C4)CO)(C)O","Ingredient_weight": "292.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1327","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11066271","DrugBank_id": "NA"}
