Exact Mass: 429.2959
Exact Mass Matches: 429.2959
Found 500 metabolites which its exact mass value is equals to given mass value 429.2959
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Mifepristone
A progestational and glucocorticoid hormone antagonist. Its inhibition of progesterone induces bleeding during the luteal phase and in early pregnancy by releasing endogenous prostaglandins from the endometrium or decidua. As a glucocorticoid receptor antagonist, the drug has been used to treat hypercortisolism in patients with nonpituitary cushing syndrome. [PubChem] G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03X - Other sex hormones and modulators of the genital system > G03XB - Progesterone receptor modulators D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C1891 - Progesterone Antagonist D012102 - Reproductive Control Agents > D008600 - Menstruation-Inducing Agents D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D012102 - Reproductive Control Agents > D000019 - Abortifacient Agents D012102 - Reproductive Control Agents > D008186 - Luteolytic Agents
Yubeinine
Sipeimine is a natural product isolated from Fritillaria ussuriensis. IC50 value: Target: In vitro: Sipeimine can induce rejuvenation of a endophytic fungus; Sipeimine yield of the strain rejuvenated by adding 3\\\% bulbus was effectively improved to 0.0563 mg/L and it is 21.9\\\% higher than that of the initial strain [1]. In vivo: Sipeimine is a natural product isolated from Fritillaria ussuriensis. IC50 value: Target: In vitro: Sipeimine can induce rejuvenation of a endophytic fungus; Sipeimine yield of the strain rejuvenated by adding 3\\% bulbus was effectively improved to 0.0563 mg/L and it is 21.9\\% higher than that of the initial strain [1]. In vivo: Yubeinine is an alkaloid with tracheal relaxant effects[1].
Miproxifene
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C1892 - Chemopreventive Agent
N-Oleoyl phenylalanine
N-oleoyl phenylalanine, also known as oleoyl-L-phe-OH belongs to the class of compounds known as N-acylamides. These are molecules characterized by a fatty acyl group linked to a primary amine by an amide bond. More specifically, it is an Oleic acid amide of Phenylalanine. It is believed that there are more than 800 types of N-acylamides in the human body. N-acylamides fall into several categories: amino acid conjugates (e.g., those acyl amides conjugated with amino acids), neurotransmitter conjugates (e.g., those acylamides conjugated with neurotransmitters), ethanolamine conjugates (e.g., those acylamides conjugated to ethanolamine), and taurine conjugates (e.g., those acyamides conjugated to taurine). N-Oleoyl phenylalanine is an amino acid conjugate. N-acylamides can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain N-acylamides; 2) medium-chain N-acylamides; 3) long-chain N-acylamides; and 4) very long-chain N-acylamides; 5) hydroxy N-acylamides; 6) branched chain N-acylamides; 7) unsaturated N-acylamides; 8) dicarboxylic N-acylamides and 9) miscellaneous N-acylamides. N-Oleoyl phenylalanine is therefore classified as a long chain N-acylamide. N-acyl amides have a variety of signaling functions in physiology, including in cardiovascular activity, metabolic homeostasis, memory, cognition, pain, motor control and others (PMID: 15655504). N-acyl amides have also been shown to play a role in cell migration, inflammation and certain pathological conditions such as diabetes, cancer, neurodegenerative disease, and obesity (PMID: 23144998; PMID: 25136293; PMID: 28854168).N-acyl amides can be synthesized both endogenously and by gut microbiota (PMID: 28854168). N-acylamides can be biosynthesized via different routes, depending on the parent amine group. N-acyl ethanolamines (NAEs) are formed via the hydrolysis of an unusual phospholipid precursor, N-acyl-phosphatidylethanolamine (NAPE), by a specific phospholipase D. N-acyl amino acids are synthesized via a circulating peptidase M20 domain containing 1 (PM20D1), which can catalyze the bidirectional the condensation and hydrolysis of a variety of N-acyl amino acids. The degradation of N-acylamides is largely mediated by an enzyme called fatty acid amide hydrolase (FAAH), which catalyzes the hydrolysis of N-acylamides into fatty acids and the biogenic amines. Many N-acylamides are involved in lipid signaling system through interactions with transient receptor potential channels (TRP). TRP channel proteins interact with N-acyl amides such as N-arachidonoyl ethanolamide (Anandamide), N-arachidonoyl dopamine and others in an opportunistic fashion (PMID: 23178153). This signaling system has been shown to play a role in the physiological processes involved in inflammation (PMID: 25136293). Other N-acyl amides, including N-oleoyl-glutamine, have also been characterized as TRP channel antagonists (PMID: 29967167). N-acylamides have also been shown to have G-protein-coupled receptors (GPCRs) binding activity (PMID: 28854168). The study of N-acylamides is an active area of research and it is likely that many novel N-acylamides will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered for these molecules.
Hexadecanedioic acid mono-L-carnitine ester
Hexadecanedioic acid mono-L-carnitine ester is an intermediate in the formation of hexadecanedioylcarnitine. Hexadecanedioic acid has been shown to be activated by ATP-Mg2+ and CoA and transported into the inner mitochondrial compartment as the mono-L-carnitine ester. (PMID: 4703570). An intermediate in the formation of hexadecanedioylcarnitine. Hexadecanedioic acid has been shown to be activated by ATP-Mg2+ and CoA and transported into the inner mitochondrial compartment as the mono-L-carnitine ester. (PMID: 4703570) [HMDB]
N-Docosahexaenoyl Threonine
N-docosahexaenoyl threonine belongs to the class of compounds known as N-acylamides. These are molecules characterized by a fatty acyl group linked to a primary amine by an amide bond. More specifically, it is a Docosahexaenoyl amide of Threonine. It is believed that there are more than 800 types of N-acylamides in the human body. N-acylamides fall into several categories: amino acid conjugates (e.g., those acyl amides conjugated with amino acids), neurotransmitter conjugates (e.g., those acylamides conjugated with neurotransmitters), ethanolamine conjugates (e.g., those acylamides conjugated to ethanolamine), and taurine conjugates (e.g., those acyamides conjugated to taurine). N-Docosahexaenoyl Threonine is an amino acid conjugate. N-acylamides can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain N-acylamides; 2) medium-chain N-acylamides; 3) long-chain N-acylamides; and 4) very long-chain N-acylamides; 5) hydroxy N-acylamides; 6) branched chain N-acylamides; 7) unsaturated N-acylamides; 8) dicarboxylic N-acylamides and 9) miscellaneous N-acylamides. N-Docosahexaenoyl Threonine is therefore classified as a very long chain N-acylamide. N-acyl amides have a variety of signaling functions in physiology, including in cardiovascular activity, metabolic homeostasis, memory, cognition, pain, motor control and others (PMID: 15655504). N-acyl amides have also been shown to play a role in cell migration, inflammation and certain pathological conditions such as diabetes, cancer, neurodegenerative disease, and obesity (PMID: 23144998; PMID: 25136293; PMID: 28854168).N-acyl amides can be synthesized both endogenously and by gut microbiota (PMID: 28854168). N-acylamides can be biosynthesized via different routes, depending on the parent amine group. N-acyl ethanolamines (NAEs) are formed via the hydrolysis of an unusual phospholipid precursor, N-acyl-phosphatidylethanolamine (NAPE), by a specific phospholipase D. N-acyl amino acids are synthesized via a circulating peptidase M20 domain containing 1 (PM20D1), which can catalyze the bidirectional the condensation and hydrolysis of a variety of N-acyl amino acids. The degradation of N-acylamides is largely mediated by an enzyme called fatty acid amide hydrolase (FAAH), which catalyzes the hydrolysis of N-acylamides into fatty acids and the biogenic amines. Many N-acylamides are involved in lipid signaling system through interactions with transient receptor potential channels (TRP). TRP channel proteins interact with N-acyl amides such as N-arachidonoyl ethanolamide (Anandamide), N-arachidonoyl dopamine and others in an opportunistic fashion (PMID: 23178153). This signaling system has been shown to play a role in the physiological processes involved in inflammation (PMID: 25136293). Other N-acyl amides, including N-oleoyl-glutamine, have also been characterized as TRP channel antagonists (PMID: 29967167). N-acylamides have also been shown to have G-protein-coupled receptors (GPCRs) binding activity (PMID: 28854168). The study of N-acylamides is an active area of research and it is likely that many novel N-acylamides will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered for these molecules.
2-[[3-[[2-(Dimethylamino)phenyl]methyl]-2-pyridin-4-yl-1,3-diazinan-1-yl]methyl]-N,N-dimethylaniline
(8S,11R,13R,14S,17S)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
peiminine
Imperialine is an alkaloid. Peiminine is a natural product found in Fritillaria anhuiensis, Fritillaria cirrhosa, and other organisms with data available. D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents > D014704 - Veratrum Alkaloids Peiminine is a natural compound with anti-inflammatory activity. Peiminine is a compound that can be isolated from Bolbostemma paniculatum (Maxim) Franquet (Cucurbitaceae family). Peiminine can induce apoptosis in human hepatocellular carcinoma HepG2 cells through both extrinsic and intrinsic apoptotic pathways. Peiminine has anti-inflammatory, anticancer, anti-osteoporosis, cardioprotective and other activities in many animal models[1][2][3][4][5][6]. Peiminine is a natural compound with anti-inflammatory activity.
Imperialin
Sipeimine is an alkaloid. Imperialine is a natural product found in Fritillaria cirrhosa, Fritillaria thunbergii, and other organisms with data available. D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents > D014704 - Veratrum Alkaloids Sipeimine is a natural product isolated from Fritillaria ussuriensis. IC50 value: Target: In vitro: Sipeimine can induce rejuvenation of a endophytic fungus; Sipeimine yield of the strain rejuvenated by adding 3\\% bulbus was effectively improved to 0.0563 mg/L and it is 21.9\\% higher than that of the initial strain [1]. In vivo: Sipeimine is a natural product isolated from Fritillaria ussuriensis. IC50 value: Target: In vitro: Sipeimine can induce rejuvenation of a endophytic fungus; Sipeimine yield of the strain rejuvenated by adding 3\% bulbus was effectively improved to 0.0563 mg/L and it is 21.9\% higher than that of the initial strain [1]. In vivo:
(22R, 25R)-spirosol-5-ene-3beta,12beta-diol|12beta-Hydroxysolasodin|solanaviol
(22R,25S)-13alpha,21-epoxy-5,6,12,13-tetrahydro-3beta-hydroxy-5alpha-veratraman-6-one|suchengbeisine
1-linoleyl MPAP|2-hydroxy-3-(N-phenylamino)propyl linoleate
Mifepristone
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03X - Other sex hormones and modulators of the genital system > G03XB - Progesterone receptor modulators D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C1891 - Progesterone Antagonist D012102 - Reproductive Control Agents > D008600 - Menstruation-Inducing Agents D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D012102 - Reproductive Control Agents > D000019 - Abortifacient Agents D012102 - Reproductive Control Agents > D008186 - Luteolytic Agents CONFIDENCE standard compound; INTERNAL_ID 997; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8513; ORIGINAL_PRECURSOR_SCAN_NO 8509 CONFIDENCE standard compound; INTERNAL_ID 997; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8510; ORIGINAL_PRECURSOR_SCAN_NO 8508 CONFIDENCE standard compound; INTERNAL_ID 997; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8508; ORIGINAL_PRECURSOR_SCAN_NO 8506 CONFIDENCE standard compound; INTERNAL_ID 997; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8530; ORIGINAL_PRECURSOR_SCAN_NO 8528 CONFIDENCE standard compound; INTERNAL_ID 997; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8550; ORIGINAL_PRECURSOR_SCAN_NO 8547 CONFIDENCE standard compound; INTERNAL_ID 997; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8539; ORIGINAL_PRECURSOR_SCAN_NO 8537
N-Oleoyl-Phenylalanine
CONFIDENCE standard compound; INTERNAL_ID 299 INTERNAL_ID 299; CONFIDENCE standard compound
sipeimine
Origin: Plant; SubCategory_DNP: Steroidal alkaloids, Veratrum alkaloids Peiminine is a natural compound with anti-inflammatory activity. Peiminine is a compound that can be isolated from Bolbostemma paniculatum (Maxim) Franquet (Cucurbitaceae family). Peiminine can induce apoptosis in human hepatocellular carcinoma HepG2 cells through both extrinsic and intrinsic apoptotic pathways. Peiminine has anti-inflammatory, anticancer, anti-osteoporosis, cardioprotective and other activities in many animal models[1][2][3][4][5][6]. Peiminine is a natural compound with anti-inflammatory activity. Sipeimine is a natural product isolated from Fritillaria ussuriensis. IC50 value: Target: In vitro: Sipeimine can induce rejuvenation of a endophytic fungus; Sipeimine yield of the strain rejuvenated by adding 3\\% bulbus was effectively improved to 0.0563 mg/L and it is 21.9\\% higher than that of the initial strain [1]. In vivo: Sipeimine is a natural product isolated from Fritillaria ussuriensis. IC50 value: Target: In vitro: Sipeimine can induce rejuvenation of a endophytic fungus; Sipeimine yield of the strain rejuvenated by adding 3\% bulbus was effectively improved to 0.0563 mg/L and it is 21.9\% higher than that of the initial strain [1]. In vivo:
Ala Ala Ile Arg
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AL 8810 ethyl amide
Hexadecanedioate
tridecyl hydrogen sulphate, compound with 2,2,2-nitrilotris[ethanol] (1:1)
4-Cyano-4-biphenylyl trans-4-(4-propylcyclohexyl)-1-cyclohexanecarboxylate
(8S,11R,13R,14S,17S)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
3beta-Hydroxy-5alpha-cholest-8-ene-4alpha-carboxylate
A steroid acid anion that is the conjugate base of 3beta-hydroxy-5alpha-cholest-8-ene-4alpha-carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoate
(3S,4S,5S,9R,10S,13R,14R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylate
ethyl 4-{[N-(cyclohexylcarbonyl)phenylalanyl]amino}piperidine-1-carboxylate
(25R)-3beta-hydroxycholest-5-en-7-one-26-oate
A steroid acid anion that is the conjugate base of (25R)-3beta-hydroxycholest-5-en-7-one-26-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-(phenylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
3alpha-Hydroxy-14-(methoxycarbonyl)-4,4,8alpha,12,16-pentamethyl-17-oxo-5beta,9beta,10alpha,13alpha-androsta-11,15-dien-15-olate
3beta-Hydroxy-14-(methoxycarbonyl)-4,4,8alpha,12,16-pentamethyl-17-oxo-5beta,9beta,10alpha,13alpha-androsta-11,15-dien-15-olate
(8S,11R,13S,14R,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
18-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]octadecanoate
17-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxoheptadecanoate
(16R)-16-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxoheptadecanoate
(17R)-17-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyoctadecanoate
3-[(10R)-10,11-epoxy]farnesyl-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylic acid methyl ester
(3Z,6Z,9Z,12Z,15Z)-N-[(E)-1,3-dihydroxynon-4-en-2-yl]octadeca-3,6,9,12,15-pentaenamide
(10S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
4-(Benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]piperidine
4,4-diapolycopen-4-oate
A monocarboxylic acid anion that is the conjugate base of 4,4-diapolycopen-4-oic acid; obtained by deprotonation of the carboxy group; major species at pH 7.3.
O-(15-carboxypentadecanoyl)carnitine
An O-acylcarnitine having 15-carboxypentadecanoyl as the acyl substituent.
11-[4-(Dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
O-hexadecanedioyl-L-carnitine
An O-acyl-L-carnitine in which the acyl group is specified as hexadecanedioyl.
andrastin E(1-)
An enolate anion resulting from the deprotonation of the enol group of andrastin E. Major species at pH 7.3. Published in http://dx.doi.org/10.1016/j.tet.2013.07.029
oscr#32(1-)
A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#32, obtained by deprotonation of the carboxy group; major species at pH 7.3.
7alpha-Hydroxy-3-oxo-4-cholestenoate
A steroid acid anion that is the conjugate base of 7alpha-hydroxy-3-oxo-4-cholestenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3
andrastin F(1-)
An enolate anion resulting from the deprotonation of the enol group of andrastin F. Major species at pH 7.3. Published in http://dx.doi.org/10.1016/j.tet.2013.07.029
3-hydroxy-9-[1-(3-hydroxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-1h,2h,3h,4h,4ah,6h,6ah,6bh,7h,8h,9h,11h,11ah-cyclohexa[a]fluoren-5-one
(1r,2s,6s,9r,10r,11s,14s,15s,18r,20s,23r,24r)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosan-17-one
3-{[2-(2,3-dimethyloxiran-2-yl)-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl](hydroxy)methylidene}-1-methyl-5-(sec-butyl)pyrrolidine-2,4-dione
(1s,2r,3ar,3br,7s,9ar,9bs,11s,11ar)-9a,11a-dimethyl-1-[(1s)-1-[(5s)-5-methyl-3,4,5,6-tetrahydropyridin-2-yl]ethyl]-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-2,7,11-triol
1-[(8z,11z,14z)-heptadeca-8,11,14-trien-1-yl]-2-methyl-9h-carbazol-3-ol
(2r,6r,10r,18r,20s,23s)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacos-15(24)-ene-8,20,25-triol
n-(3-{1,14-dimethyl-6-methylidene-8,16,18-trioxapentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicos-10-en-17-yl}propyl)ethanimidic acid
2,3-dimethoxy-6-[(2e,5e,7e,9s,10s,11e)-10-methoxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-5-methylpyridin-4-ol
(1s,2s,3's,4s,5'r,6s,7s,8r,9s,12s,13r,16s)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-ene-3',16-diol
(2r,3s,4r,5r,6s)-2-{[(8s,9s,10s,10ar)-10-hydroxy-3,7,7,8,10-pentamethyl-2,4,5,8,9,10a-hexahydro-1h-3-benzazocin-9-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
15alpah-hydroxysolasodine
{"Ingredient_id": "HBIN001605","Ingredient_name": "15alpah-hydroxysolasodine","Alias": "NA","Ingredient_formula": "C27H43NO3","Ingredient_Smile": "CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)O)C)NC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31271","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
15α-hydroxysolasodine
{"Ingredient_id": "HBIN001618","Ingredient_name": "15\u03b1-hydroxysolasodine","Alias": "NA","Ingredient_formula": "C27H43NO3","Ingredient_Smile": "CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)O)C)NC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10712","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
15alpha-hydroxytomatidenol
{"Ingredient_id": "HBIN001619","Ingredient_name": "15alpha-hydroxytomatidenol","Alias": "15\u03b1-hydroxytomatidenol","Ingredient_formula": "C27H43NO3","Ingredient_Smile": "CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)O)C)NC1","Ingredient_weight": "429.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31279;10770","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102093833","DrugBank_id": "NA"}
5 alpha,14 alpha-cevanine-3 beta,20 beta-dihydroxy-6-one
{"Ingredient_id": "HBIN011372","Ingredient_name": "5 alpha,14 alpha-cevanine-3 beta,20 beta-dihydroxy-6-one","Alias": "NA","Ingredient_formula": "C27H43NO3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30760","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}