Exact Mass: 326.1941
Exact Mass Matches: 326.1941
Found 272 metabolites which its exact mass value is equals to given mass value 326.1941,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Ajmaline
Ajmaline, also known as (+)-ajmaline, is a member of the class of compounds known as ajmaline-sarpagine alkaloids. Ajmaline-sarpagine alkaloids are organic compounds containing either of the ajmalan, sarpagan skeleton, or derivative thereof. The Sarpagine (Akuammidine) group, based on the sarpagan nucleus, arises from bond formation between C-16 and C-5 of the corynantheine precursor. Ajmaline alkaloids are based on a 17,19-secoyohimban skeleton (oxayohimban) which is invariably present as an ether. Ajmaline is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Ajmaline can be synthesized from ajmalan. Ajmaline is also a parent compound for other transformation products, including but not limited to, vinorine, norajmaline, and 17-O-acetylajmaline. Ajmaline can be found in a number of food items such as soursop, jews ear, small-leaf linden, and soft-necked garlic, which makes ajmaline a potential biomarker for the consumption of these food products. Ajmaline can be found primarily in blood and urine. Ajmaline is a drug which is used for use as an antiarrhythmic agent. The compound was first isolated by Salimuzzaman Siddiqui in 1931 from the roots of Rauvolfia serpentina. He named it ajmaline, after Hakim Ajmal Khan, one of the most illustrious practitioners of Unani medicine in South Asia. Ajmaline can be found in most species of the Rauvolfia genus as well as Catharanthus roseus. In addition to Southeast Asia, Rauvolfia species have also been found in tropical regions of India, Africa, South America, and some oceanic islands. Other indole alkaloids found in Rauvolfia include reserpine, ajmalicine, serpentine, corynanthine, and yohimbine. While 86 alkaloids have been discovered throughout Rauvolfia vomitoria, ajmaline is mainly isolated from the stem bark and roots of the plant . The class I antiarrhythmic agents interfere with the sodium channel. A class IA agent lengthens the action potential (right shift) which brings about improvement in abnormal heart rhythms. This drug in particular has a high affinity for the Nav 1.5 sodium channel (DrugBank). An alkaloid found in the root of Rauwolfia serpentina, among other plant sources. It is a class Ia antiarrhythmic agent that apparently acts by changing the shape and threshold of cardiac action potentials. Ajmaline produces potent sodium channel blocking effects and a very short half-life which makes it a very useful drug for acute intravenous treatments. The drug has been very popular in some countries for the treatment of atrial fibrillation in patients with the Wolff Parkinson White syndrome and in well tolerated monomorphic ventricular tachycardias. It has also been used for many years as a drug to challenge the conduction system of the heart in cases of bundle branch block and syncope. In these cases, abnormal prolongation of the HV interval has been taken as a proof for infrahisian conduction defects tributary for permanent pacemaker implantation. D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D049990 - Membrane Transport Modulators Ajmaline (Cardiorythmine) is a sodium channel blocking, class 1A anti-arrhythmic agent. Ajmaline blocks HERG currents with an IC50 of 1 μM in HEK cells and 42.3 μM in Xenopus oocytes. Ajmaline can be used for the research of the ventricular tachyarrhythmia[1][2]. Ajmaline (Cardiorythmine) is a sodium channel blocking, class 1A anti-arrhythmic agent. Ajmaline blocks HERG currents with an IC50 of 1 μM in HEK cells and 42.3 μM in Xenopus oocytes. Ajmaline can be used for the research of the ventricular tachyarrhythmia[1][2].
Hydroquinidine
Same as: D08048 C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BA - Antiarrhythmics, class ia D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 0.751 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.749 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.745 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.742 Hydroquinidine (Dihydroquinidine) is a derivative of Quinidine (an antiarrhythmic agent). Hydroquinidine prolongs the QT interval and has antiarrhythmic efficacy[1][2][3]. Hydroquinidine (Dihydroquinidine) is a derivative of Quinidine (an antiarrhythmic agent). Hydroquinidine prolongs the QT interval and has antiarrhythmic efficacy[1][2][3].
Docebenone
D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor Docebenone (AA 861) is a potent, selective and orally active 5-LO (5-lipoxygenase) inhibitor.
Tortuosamine
5,6,7,8-Tetrahydroquinoline in whith the hydrogens at position 6 are substituted by a 3-azabutyl group and a 3,4-dimethoxyphenyl group. (S configuration). It is found in the herb kanna (Sceletium tortuosum).
Moxestrol
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CB - Synthetic estrogens, plain D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones ATC code: G03CB04
Acitretin
D - Dermatologicals > D05 - Antipsoriatics > D05B - Antipsoriatics for systemic use > D05BB - Retinoids for treatment of psoriasis C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids D003879 - Dermatologic Agents > D007641 - Keratolytic Agents
4-Dodecylbenzenesulfonic Acid
4-Dodecylbenzenesulfonic Acid is a sodium dodecylbenzenesulfonate, a series of organic compounds with the formula C12H25C6H4SO3Na. It is a colourless salt with useful properties as a surfactant. It is usually produced as a mixture of related sulfonates. It is a major component of laundry detergent. (Wikipedia)
Heptaethylene glycol
Heptaethylene glycol belongs to the class of organic compounds known as polyethylene glycols. These are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3).
Isoacitretin
Isoacitretin is an oral retinoid effective in the treatment of psoriasis. It is the major metabolite of etretinate with the advantage of a much shorter half-life when compared with etretinate (Pubchem). An oral retinoid effective in the treatment of psoriasis. It is the major metabolite of etretinate with the advantage of a much shorter half-life when compared with etretinate. -- Pubchem [HMDB] D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids D003879 - Dermatologic Agents > D007641 - Keratolytic Agents
Acitretin
Acitretin is only found in individuals that have used or taken this drug. It is an oral retinoid effective in the treatment of psoriasis. It is the major metabolite of etretinate with the advantage of a much shorter half-life when compared with etretinate (PubChem). The mechanism of action of acitretin is unknown, however it is believed to work by targeting specific receptors (retinoid receptors such as RXR and RAR) in the skin which help normalize the growth cycle of skin cells. An oral retinoid effective in the treatment of psoriasis. It is the major metabolite of etretinate with the advantage of a much shorter half-life when compared with etretinate. -- Pubchem [HMDB] D - Dermatologicals > D05 - Antipsoriatics > D05B - Antipsoriatics for systemic use > D05BB - Retinoids for treatment of psoriasis C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids D003879 - Dermatologic Agents > D007641 - Keratolytic Agents
2-Dodecylbenzenesulfonic acid
The Na salt is likely to be a minor component of sodium laurybenzenesulfonate used as a detergent in food processing. See
(17R)-17-Ethynyl-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
hydroquinidine
M - Musculo-skeletal system > M09 - Other drugs for disorders of the musculo-skeletal system > M09A - Other drugs for disorders of the musculo-skeletal system > M09AA - Quinine and derivatives C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BA - Antiarrhythmics, class ia D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents Hydroquinine is a cinchona alkaloid, can be used in the preparation of its derivatives such as C9 epihydroquinine, 9-acetoxy-10,11-dihydroquinine and 10,11-dihydroquinine monohydrochloride[1].
Aritmina
D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D049990 - Membrane Transport Modulators
Buparvaquone
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
2-(12-Hydroxydodec-1-en-5,10-diynyl)-3,5,6-trimethylbenzene-1,4-diol
Dihydroquinine
M - Musculo-skeletal system > M09 - Other drugs for disorders of the musculo-skeletal system > M09A - Other drugs for disorders of the musculo-skeletal system > M09AA - Quinine and derivatives C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BA - Antiarrhythmics, class ia D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents Hydroquinine is a cinchona alkaloid. Hydroquinidine (Dihydroquinidine) is a derivative of Quinidine (an antiarrhythmic agent). Hydroquinidine prolongs the QT interval and has antiarrhythmic efficacy[1][2][3]. Hydroquinidine (Dihydroquinidine) is a derivative of Quinidine (an antiarrhythmic agent). Hydroquinidine prolongs the QT interval and has antiarrhythmic efficacy[1][2][3]. Hydroquinine is a cinchona alkaloid, can be used in the preparation of its derivatives such as C9 epihydroquinine, 9-acetoxy-10,11-dihydroquinine and 10,11-dihydroquinine monohydrochloride[1].
Octabenzone
CONFIDENCE standard compound; INTERNAL_ID 434; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9853; ORIGINAL_PRECURSOR_SCAN_NO 9852 CONFIDENCE standard compound; INTERNAL_ID 434; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 11562; ORIGINAL_PRECURSOR_SCAN_NO 11560 CONFIDENCE standard compound; INTERNAL_ID 434; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9908; ORIGINAL_PRECURSOR_SCAN_NO 9907 CONFIDENCE standard compound; INTERNAL_ID 434; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9929; ORIGINAL_PRECURSOR_SCAN_NO 9928 CONFIDENCE standard compound; INTERNAL_ID 434; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9896; ORIGINAL_PRECURSOR_SCAN_NO 9894 CONFIDENCE standard compound; INTERNAL_ID 434; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9937; ORIGINAL_PRECURSOR_SCAN_NO 9936
Buparvaquone
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
6,7-Didehydro-(20S)-20-Hydroxy-3-oxopregn-4-en-18-oic acid
(3S,5R)-3-Hydroxy-5-ethoxy-1-(4-hydroxyphenyl)-7-phenyl-6E-heptene
3-Methyl-2-pentenoyl-5,6-Secofuranoeremophila-1(10),2,4-trien-6-ol
11alpha-hydroxy-18,20-oxido-3-oxo-pregna-1,4,17(20)-triene|pubadysone
16-epiaffinine|17-hydroxy-19,20-dihydro-vobasan-3-one|Dihydroaffinin
9,10-Dihydro-4-(1-ethoxyethyl)-1,8-dimethyl-2-methoxyphenanthrene-7-ol
kibalaurifenone|pregn-3,5-diene-7-one-18,20-lactone
Beninin|beninine|ent-6beta,21-epoxy-17-methoxy-aspidospermidine
1,11-di-3-furanyl-4,8-dimethyl-2,6,8-undecatrien-4-ol
8-hydroxy-2-(6-phenylhexyl)-5,6,7,8-tetrahydrochromone
10-Methoxygeissoschizol|Me ether-10-Hydroxygeissoschizol
11-methoxy-coryn-18-en-17-ol|2-(10-methoxy-3-vinyl-1,2,3,4,6,7,12,12b-octahydro-indolo[2,3-a]quinolizin-2-yl)-ethanol
5-Methoxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone
Ajmaline
A monoterpenoid indole alkaloid that consists of ajmalan substituted at positions 17 and 21 by hydroxy groups. Annotation level-1 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.572 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.566 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.567 Ajmaline is a natural product found in Rauvolfia yunnanensis, Rauvolfia balansae, and other organisms with data available. An alkaloid found in the root of RAUWOLFIA SERPENTINA, among other plant sources. It is a class 1-A antiarrhythmic agent that apparently acts by changing the shape and threshold of cardiac action potentials. C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BA - Antiarrhythmics, class ia D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D049990 - Membrane Transport Modulators Ajmaline (Cardiorythmine) is a sodium channel blocking, class 1A anti-arrhythmic agent. Ajmaline blocks HERG currents with an IC50 of 1 μM in HEK cells and 42.3 μM in Xenopus oocytes. Ajmaline can be used for the research of the ventricular tachyarrhythmia[1][2]. Ajmaline (Cardiorythmine) is a sodium channel blocking, class 1A anti-arrhythmic agent. Ajmaline blocks HERG currents with an IC50 of 1 μM in HEK cells and 42.3 μM in Xenopus oocytes. Ajmaline can be used for the research of the ventricular tachyarrhythmia[1][2].
2-O-Methylbroussonin C
4-(3-(4-Hydroxy-2-methoxyphenyl)propyl)-2-(3-methylbut-2-en-1-yl)phenol is a natural product found in Broussonetia papyrifera with data available.
Dodecylbenzenesulfonic acid
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8762
C20H26N2O2_(17R,21alpha)-Ajmalan-17,21-diol
C20H26N2O2_Ajmalan-17,21-diol, (17R,21alpha)
dihydroquinine
M - Musculo-skeletal system > M09 - Other drugs for disorders of the musculo-skeletal system > M09A - Other drugs for disorders of the musculo-skeletal system > M09AA - Quinine and derivatives D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents Hydroquinine is a cinchona alkaloid, can be used in the preparation of its derivatives such as C9 epihydroquinine, 9-acetoxy-10,11-dihydroquinine and 10,11-dihydroquinine monohydrochloride[1].
Ajmalin
Origin: Plant; Formula(Parent): C20H26N2O2; Bottle Name:Ajmaline; PRIME Parent Name:Ajmaline; PRIME in-house No.:V0319; SubCategory_DNP: Monoterpenoid indole alkaloids, Ajmaline alkaloids, Indole alkaloids Ajmaline (Cardiorythmine) is a sodium channel blocking, class 1A anti-arrhythmic agent. Ajmaline blocks HERG currents with an IC50 of 1 μM in HEK cells and 42.3 μM in Xenopus oocytes. Ajmaline can be used for the research of the ventricular tachyarrhythmia[1][2]. Ajmaline (Cardiorythmine) is a sodium channel blocking, class 1A anti-arrhythmic agent. Ajmaline blocks HERG currents with an IC50 of 1 μM in HEK cells and 42.3 μM in Xenopus oocytes. Ajmaline can be used for the research of the ventricular tachyarrhythmia[1][2].
Hydroquinine
Hydroquinine is a cinchona alkaloid, can be used in the preparation of its derivatives such as C9 epihydroquinine, 9-acetoxy-10,11-dihydroquinine and 10,11-dihydroquinine monohydrochloride[1].
Soriatane
D - Dermatologicals > D05 - Antipsoriatics > D05B - Antipsoriatics for systemic use > D05BB - Retinoids for treatment of psoriasis C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids D003879 - Dermatologic Agents > D007641 - Keratolytic Agents
Isoacitretin
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids D003879 - Dermatologic Agents > D007641 - Keratolytic Agents
LABSA
A member of the class dodecylbenzenesulfonic acids that is benzenesulfonic acid in which the hydrogen at position 2 of the phenyl ring is substituted by a dodecyl group. D013501 - Surface-Active Agents D000890 - Anti-Infective Agents D004202 - Disinfectants
AA-861
D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor Docebenone (AA 861) is a potent, selective and orally active 5-LO (5-lipoxygenase) inhibitor.
[2-[(8S,9R,10S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
(2S,3aS,7aS)-1-{N-[(methyloxy)carbonyl]-L-valyl}octahydro-1H-indole-2-carboxylic acid
Epsiprantel
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
Triptophenolide methyl ether
A tetracyclic diterpenoid with formula C21H26O3, originally isolated from Tripterygium wilfordii.
(3r,4s)-1-(3,4-Dimethoxyphenyl)-3-(3-Methylphenyl)piperidin-4-Amine
(5AR,6S,8S,10S,11S,11as,12ar,13R)-5-methyl-5a,6,8,9,10,11,11a,12-octahydro-5H-6,10:11,12a-dimethanoindolo[3,2-b]quinolizine-8,13-diol
(S)-[(2R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BA - Antiarrhythmics, class ia D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
4-DODECYLBENZENESULFONIC ACID
Surfactant for use in washing or lye peeling of fruit and vegetables and poultry scald solutions
(9R,10S,12S,13S,14R,16S,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
2-(12-Hydroxydodec-1-en-5,10-diynyl)-3,5,6-trimethylbenzene-1,4-diol
1-{(E)-amino[(4-methylquinazolin-2-yl)amino]methylidene}-3-cyclohexylurea
(1R,9R,13S,14R,16S)-13-Ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
4-[[4-(2,5-Dimethylphenyl)-1-piperazinyl]methyl]-2-methoxyphenol
(1S)-1-[(1R,15R,17R,18R)-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-17-yl]ethanol
4-(4-morpholinyl)-N-phenyl-6-(1-pyrrolidinyl)-1,3,5-triazin-2-amine
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide
(1R,9R,12R,13S,14R,16S)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
(1R,9R,10S,12R,13S,14R,16S)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
(1R,9R,10S,12S,13S,14R,16S,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
(1R,13S,14R,16S)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
(2S,3S)-2-Benzyloxy-4-(tert-butyldimethylsilyloxy)butan-1,3-diol
(12R,14R,16S,18S)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
(R)-[(2S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-4-quinolinyl)methanol
2-Deamino-2-hydroxyneamine(3+)
An organic cation obtained by protonation of the three amino groups of 2-deamino-2-hydroxyneamine; major species at pH 7.3.
6-[7-hydroxy-4-methyl-3-(propan-2-ylidene)heptyl]naphthalene-1,4-dione
methyl (4s,4ar,11bs)-4,7,11b-trimethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan-4-carboxylate
(2's,4ar,5'r,6'r,7r)-9'-hydroxy-5',7-dimethyl-4a,5,6,7-tetrahydro-11'-azaspiro[cyclopenta[c]pyridine-4,8'-tricyclo[5.2.2.0²,⁶]undecan]-10'-ene-1'-carbaldehyde
[(1s,12s,13r,16s,17s,18r)-16,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8-tetraen-17-yl]methanol
(1r,12r,13s,16s,18r)-20,20-dimethyl-10,19-diazapentacyclo[14.2.2.0³,¹¹.0⁴,⁹.0¹³,¹⁸]icosa-3(11),4,6,8-tetraene-12,13-diol
(3as,3br,9bs,11as)-3b,11a-dimethyl-1-oxo-2h,3h,3ah,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl acetate
5-[(1r)-1-ethoxyethyl]-7-methoxy-1,8-dimethyl-9,10-dihydrophenanthren-2-ol
(1s)-1-[(1r,15s,17s,18r)-7-methoxy-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraen-17-yl]ethanol
(3ar,3bs,9ar,9br,11r,11as)-1-acetyl-11-hydroxy-9a,11a-dimethyl-3h,3ah,3bh,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
(1s,2s,9s,11r,12r,13s)-11-hydroxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icosa-5,14,17-trien-16-one
2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxane
2-[(2r,3z,12bs)-3-ethylidene-9-methoxy-1h,2h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizin-2-yl]ethanol
(1s,9s,13r,14r,16r)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-triene-14,18-diol
(3e,7z)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-3,7-dien-6-one
1-[(1r,12r,13r,14s)-13-(hydroxymethyl)-3,16-dimethyl-3,16-diazatetracyclo[10.3.1.0²,¹⁰.0⁴,⁹]hexadeca-2(10),4,6,8-tetraen-14-yl]propan-2-one
2-[(2r,3z,12bs)-3-ethylidene-8-methoxy-1h,2h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizin-2-yl]ethanol
12-ethyl-10-hydroxy-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6-triene-8-carbaldehyde
(1r,3as,3br,5r,9bs,11as)-1-ethynyl-7-methoxy-11a-methyl-2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthrene-1,5-diol
2-[(2r,3e,12bs)-3-ethylidene-9-methoxy-1h,2h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizin-2-yl]ethanol
4-[(3s,5r,6e)-5-ethoxy-3-hydroxy-7-phenylhept-6-en-1-yl]phenol
3b,11a-dimethyl-1-oxo-2h,3h,3ah,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl acetate
11α-hydroxy 18,20-oxido-3-oxo-pregna-1,4,17(20)-triene
{"Ingredient_id": "HBIN000347","Ingredient_name": "11\u03b1-hydroxy 18,20-oxido-3-oxo-pregna-1,4,17(20)-triene","Alias": "NA","Ingredient_formula": "C21H26O3","Ingredient_Smile": "CC1=C2CCC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)O)CO1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10556","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s,5r)-3-hydroxy-5-ethoxy-1-(4-hydroxy-phenyl)-7-phenyl-6 e-heptene
{"Ingredient_id": "HBIN009646","Ingredient_name": "(3s,5r)-3-hydroxy-5-ethoxy-1-(4-hydroxy-phenyl)-7-phenyl-6 e-heptene","Alias": "NA","Ingredient_formula": "C21H26O3","Ingredient_Smile": "CCOC(CC(CCC1=CC=C(C=C1)O)O)C=CC2=CC=CC=C2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10098","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s,5s)-3-hydroxy-5-ethoxy-1-(4-hydroxy-phenyl)-7-phenyl-6 e-heptene
{"Ingredient_id": "HBIN009667","Ingredient_name": "(3s,5s)-3-hydroxy-5-ethoxy-1-(4-hydroxy-phenyl)-7-phenyl-6 e-heptene","Alias": "NA","Ingredient_formula": "C21H26O3","Ingredient_Smile": "CCOC(CC(CCC1=CC=C(C=C1)O)O)C=CC2=CC=CC=C2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10099","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-(1-ethoxy-ethyl)-2-hydroxy-7-methoxy-1,8-dimethyl-9,10-dihydrophenanthrene
{"Ingredient_id": "HBIN010958","Ingredient_name": "5-(1-ethoxy-ethyl)-2-hydroxy-7-methoxy-1,8-dimethyl-9,10-dihydrophenanthrene","Alias": "NA","Ingredient_formula": "C21H26O3","Ingredient_Smile": "CCOC(C)C1=CC(=C(C2=C1C3=C(CC2)C(=C(C=C3)O)C)C)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7402","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alstomicine
{"Ingredient_id": "HBIN015766","Ingredient_name": "alstomicine","Alias": "NA","Ingredient_formula": "C20H26N2O2","Ingredient_Smile": "CC(=O)CC1CC2C3=C(CC(C1CO)N2C)C4=CC=CC=C4N3C","Ingredient_weight": "326.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "997","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101730878","DrugBank_id": "NA"}
