Exact Mass: 284.1395
Exact Mass Matches: 284.1395
Found 500 metabolites which its exact mass value is equals to given mass value 284.1395,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Promethazine
Promethazine is only found in individuals that have used or taken this drug. It is a phenothiazine derivative with histamine H1-blocking, antimuscarinic, and sedative properties. It is used as an antiallergic, in pruritus, for motion sickness and sedation, and also in animals. [PubChem]Like other H1-antagonists, promethazine competes with free histamine for binding at H1-receptor sites in the GI tract, uterus, large blood vessels, and bronchial muscle. The relief of nausea appears to be related to central anticholinergic actions and may implicate activity on the medullary chemoreceptor trigger zone. 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 > R06AD - Phenothiazine derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine D003879 - Dermatologic Agents > D000982 - Antipruritics CONFIDENCE standard compound; INTERNAL_ID 2505 CONFIDENCE standard compound; INTERNAL_ID 8490 D018926 - Anti-Allergic Agents
Promazine
Promazine is only found in individuals that have used or taken this drug. It is a phenothiazine with actions similar to chlorpromazine but with less antipsychotic activity. It is primarily used in short-term treatment of disturbed behavior and as an antiemetic. [PubChem]Promazine is an antagonist at types 1, 2, and 4 dopamine receptors, 5-HT receptor types 2A and 2C, muscarinic receptors 1 through 5, alpha(1)-receptors, and histamine H1-receptors. Promazines antipsychotic effect is due to antagonism at dopamine and serotonin type 2 receptors, with greater activity at serotonin 5-HT2 receptors than at dopamine type-2 receptors. This may explain the lack of extrapyramidal effects. Promazine does not appear to block dopamine within the tubero-infundibular tract, explaining the lower incidence of hyperprolactinemia than with typical antipsychotic agents or risperidone. Antagonism at muscarinic receptors, H1-receptors, and alpha(1)-receptors also occurs with promazine. N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AA - Phenothiazines with aliphatic side-chain D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics
Tropisetron
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants > A04AA - Serotonin (5ht3) antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent Same as: D02130 Tropisetron (SDZ-ICS-930 free base) is a selective 5-HT3 receptor antagonist and α7-nicotinic receptor agonist with an IC50 of 70.1 ± 0.9 nM for 5-HT3 receptor. IC50 value: 70.1 ± 0.9 nM [1] Target: 5-HT3 receptor in vitro: Tropisetron specifically inhibited both IL-2 gene transcription and IL-2 synthesis in stimulated T cells. tropisetron inhibited both the binding to DNA and the transcriptional activity of NFAT and AP-1. We also observed that tropisetron is a potent inhibitor of PMA plus ionomycin-induced NF-(kappa)B activation but in contrast TNF(alpha)-mediated NF-(kappa)B activation was not affected by this antagonist [2]. Tropisetron prevents the phosphorylation and thus activation of the p38 MAPK, which is involved in post-transcriptional regulation of various cytokines [3]. in vivo: Two different doses of tropisetron (5 and 10 mg/kg) or vehicle were administered intraperitoneally 30 min before pMCAO. Neurological deficit scores, mortality rate and infarct volume were determined 24 h after permanent focal cerebral ischemia [4].
Allogibberic acid
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D005875 - Gibberellins
16-Oxoestrone
Estrone (also oestrone) is an estrogenic hormone secreted by the ovary. Its molecular formula is C18H22O2. estrone has a melting point of 254.5 degrees Celsius. estrone is one of the three estrogens, which also include estriol and estradiol. estrone is the least prevalent of the three hormones, estradiol being prevalent almost always in a female body, estriol being prevalent primarily during pregnancy. estrone sulfate is relevant to health and disease due to its conversion to estrone sulfate, a long-lived derivative of estrone. estrone sulfate acts as a pool of estrone which can be converted as needed to the more active estradiol. [HMDB] Estrone (also oestrone) is an estrogenic hormone secreted by the ovary. Its molecular formula is C18H22O2. estrone has a melting point of 254.5 degrees Celsius. estrone is one of the three estrogens, which also include estriol and estradiol. estrone is the least prevalent of the three hormones, estradiol being prevalent almost always in a female body, estriol being prevalent primarily during pregnancy. estrone sulfate is relevant to health and disease due to its conversion to estrone sulfate, a long-lived derivative of estrone. estrone sulfate acts as a pool of estrone which can be converted as needed to the more active estradiol.
alpha,alpha-diethyl-3,4,4-stilbenetriol
(+)-Larreatricin
An antiviral lignan isolated from the creosote bush, Larrea tridentata, which consists of a 3,4-dimethyltetrahydrofuran skeleton substituted by 4-hydroxyphenyl groups at positions 2 and 5 (the 2R,3R,4S,5R stereoisomer).
tropicamide
S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics
Alpha-dihydroartemisinin
Artenimol is an active metabolite of artesunate, with anti-malarial activity, and potential insulin sensitivity-improving, anti-inflammatory, immunomodulating and antineoplastic activities. Upon administration of artenimol and the hydrolysis of its active endoperoxide bridge moiety by liberated heme in parasite-infected red blood cells (RBCs), reactive oxygen species (ROS) and carbon-centered radicals form, which damage and kill parasitic organisms. Artenimol may also increase insulin sensitivity and improve insulin resistance. In addition, artenimol induces the 26S proteasome-mediated degradation of the androgen receptor (AR), thereby lowering AR expression, which may prevent androgen-responsive cellular proliferation. It also reduces luteinizing hormone LH) and testosterone levels, and may improve polycystic ovary syndrome (PCOS). In addition, artenimol may modulate the immune system and may inhibit tumor cell proliferation through various apoptotic and non-apoptotic pathways. Alpha-dihydroartemisinin is a metabolite of artemisinin. Artemisinin, also known as Qinghaosu, and its derivatives are a group of drugs that possess the most rapid action of all current drugs against Plasmodium falciparum malaria. Treatments containing an artemisinin derivative (artemisinin-combination therapies, ACTs) are now standard treatment worldwide for P. falciparum malaria. The starting compound artemisinin is isolated from the plant Artemisia annua, sweet wormwood, an herb employed in Chinese traditional medicine. (Wikipedia) P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BE - Artemisinin and derivatives, plain D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides Dihydroartemisinin is a potent anti-malaria agent. Dihydroartemisinin is a potent anti-malaria agent.
Tropicamide
Tropicamide is only found in individuals that have used or taken this drug. It is one of the muscarinic antagonists with pharmacologic action similar to atropine and used mainly as an ophthalmic parasympatholytic or mydriatic. [PubChem]Tropicamide binds to and blocks the receptors in the muscles of the eye (muscarinic receptor M4). Tropicamide acts by blocking the responses of the iris sphincter muscle to the iris and ciliary muscles to cholinergic stimulation, producing dilation of the pupil and paralysis of the ciliary muscle. S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics
2-Phenylethyl beta-D-glucopyranoside
2-Phenylethyl alpha-D-glucopyranoside is found in alcoholic beverages. 2-Phenylethyl alpha-D-glucopyranoside is isolated from Riesling grapes. 2-Phenylethyl beta-D-glucopyranoside is a constituent of Rosa damascena bulgaria (damask rose) and Vitis vinifera (wine grape).
(S)-17-Hydroxy-9,11,13,15-octadecatetraynoic acid
(S)-17-Hydroxy-9,11,13,15-octadecatetraynoic acid is found in nuts. (S)-17-Hydroxy-9,11,13,15-octadecatetraynoic acid is isolated from Coula edulis. Isolated from Coula edulis. (S)-17-Hydroxy-9,11,13,15-octadecatetraynoic acid is found in nuts.
Estrone-2,3-quinone
Estrogen 2,3- and 3,4-quinones are reactive species toward nucleophiles and Michael acceptors. As such, they can bind to DNA and induce cellular damages.Tumors may arise in cells covalently damaged by the free radicals or by the quinones and stimulated to proliferate by hormone receptor-mediated. processes. This hypothesis is supported by the correlation between quinone formation, 8-hydroxylation of guanine bases of DNA and tumor incidence of 4- versus 2-hydroxylated estrogen metabolites. Moreover, estrone-3,4-quinone, but not. estrone-2,3-quinone, induced liver tumors in mice. Estrogen 2,3- and 3,4-quinones are reactive species toward nucleophiles and Michael acceptors. As such, they can bind to DNA and induce cellular damages.Tumors may arise in cells covalently damaged by the free radicals or by the quinones and stimulated to proliferate by hormone receptor-mediated
Estrone-3,4-quinone
Estrogen 2,3- and 3,4-quinones are reactive species toward nucleophiles and Michael acceptors. As such, they can bind to DNA and induce cellular damages.Tumors may arise in cells covalently damaged by the free radicals or by the quinones and stimulated to proliferate by hormone receptor-mediated. processes. This hypothesis is supported by the correlation between quinone formation, 8-hydroxylation of guanine bases of DNA and tumor incidence of 4- versus 2-hydroxylated estrogen metabolites. Moreover, estrone-3,4-quinone, but not. estrone-2,3-quinone, induced liver tumors in mice. Estrogen 2,3- and 3,4-quinones are reactive species toward nucleophiles and Michael acceptors. As such, they can bind to DNA and induce cellular damages.Tumors may arise in cells covalently damaged by the free radicals or by the quinones and stimulated to proliferate by hormone receptor-mediated
Dihydroartemisinin (DHA)
Dihydroartemisinin (DHA) is a metabolite of artemether. Artemether is an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria. It is combined with Lumefantrine and sold by Novartis under the brand names Riamet and Co-Artem. (Wikipedia)
Dihydroartemisinin
3-(4-Carboxybenzylidene)camphor
4-(8-Amino-1,2,3,4-tetrahydro-2-methyl-4-isoquinolinyl)-2-methoxyphenol
5-(8-Amino-1,2,3,4-tetrahydro-2-methyl-4-isoquinolinyl)-2-methoxyphenol
8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylate
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Tropisetron (SDZ-ICS-930 free base) is a selective 5-HT3 receptor antagonist and α7-nicotinic receptor agonist with an IC50 of 70.1 ± 0.9 nM for 5-HT3 receptor. IC50 value: 70.1 ± 0.9 nM [1] Target: 5-HT3 receptor in vitro: Tropisetron specifically inhibited both IL-2 gene transcription and IL-2 synthesis in stimulated T cells. tropisetron inhibited both the binding to DNA and the transcriptional activity of NFAT and AP-1. We also observed that tropisetron is a potent inhibitor of PMA plus ionomycin-induced NF-(kappa)B activation but in contrast TNF(alpha)-mediated NF-(kappa)B activation was not affected by this antagonist [2]. Tropisetron prevents the phosphorylation and thus activation of the p38 MAPK, which is involved in post-transcriptional regulation of various cytokines [3]. in vivo: Two different doses of tropisetron (5 and 10 mg/kg) or vehicle were administered intraperitoneally 30 min before pMCAO. Neurological deficit scores, mortality rate and infarct volume were determined 24 h after permanent focal cerebral ischemia [4].
Nicaraven
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D020011 - Protective Agents > D000975 - Antioxidants C93038 - Cation Channel Blocker
2-Hydroxy-4-[(1R)-1-hydroxy-8-methyl-6-oxononyl]-3-methyl-2H-furan-5-one
Karalicin
A pentitol derivative that is 3-O-acetyl-1-deoxypentitol substituted by a 4-methoxyphenyl group at position 1. Isolated from the fermentation broth of Pseudomonas fluorescens and Pseudomonas putida, it exhibits anti-HSV-1 activity.
[3S-(3alpha,3aalpha,5aalpha,6alpha,8beta,9beta,9aalpha,9bbeta)]-Decahydro-6,8,9-trihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
10alpha-Chloro-1beta-hydroxyeremophil-11(13)-en-12,8beta-olide
Articaine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BB - Amides D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
(4E,6E)-2-(hydroxymethyl)-3-(3-methoxy-3-oxopropyl)deca-4,6-dienoic acid
(1alpha,3beta,4Z,6alpha,10alpha,12betaH)-form-1,3,10-Trihydroxy-4-germacren-12,6-olide
1-(4-Hydroxyphenyl)-2-[4-(1-propenyl)-phenoxyl]-1-propanol
(2,4-diacetoxy)-6-pentyl-5,6-dihydro-2-H-pyran-2-one
1-O,3-O-[1,4-Phenylene(dimethylmethylene)1,4-phenylene]glycerol
N-[2-(4-methoxyphenyl)ethyl]-2-(methylamino)benzamide
7-Chloro-2-ethyloctahydro-6-(2-penten-4-ynyl)pyrano[3,2-b]pyran-3-ol
(2R,3R)-2,3-Dihydro-2-(4-hydroxyphenyl)-5-(3-hydroxypropyl)-3-methylbenzofuran
(1R,2S,4E,7S,9R,11R)-2,7,9-trihydroxy-3,3,7,11-tetramethyl-12-oxabicyclo[9.1.0]dodec-4-en-6-one|mitissimol G
(1alpha,4beta,5alpha,6alpha,11betaH)-form-1,4,5-Trihydroxy-12,6-eudesmanolide|1alpha,4beta,5alpha-trihydroxyeudesman-6beta,11betaH-12,6-olide
6-Methoxy-4-phenyl-2,3-dihydro-3,3-dimethylbenzofuran-2-methanol
3,4-dihydro-5-methoxy-2,2-dimethyl-7-(4-hydroxyphenyl)-2H-1-benzopyran|garcibenzopyran
(1R,4S,5S,5aR,6R,8aS,9R)-octahydro-5,9-dihydroxy-6-hydroxymethyl-5a-methyl-9-(1-methylethyl)-1,4-methano-2H-cyclopent[d]oxepin-2-one|dendronobilin B
(1R,4R,5S,5aR,6R,8aS,9S)-octahydro-5-hydroxy-6-hydroxymethyl-9-[(1RS)-2-hydroxy-1-methylethyl]-5a-methyl-1,4-methano-2H-cyclopent[d]oxepin-2-one|(1R,4R,5S,5aR,6R,8aS,9S)-octahydro-5-hydroxy-6-hydroxymethyl-9-[(1SR)-2-hydroxy-1-methylethyl]-5a-methyl-1,4-methano-2H-cyclopent[d]oxepin-2-one|dendronobilin D|dendronobilin E
10-methoxy-8-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-1H-benzo[h]isochromen-4-ol|cichorin A
2-{4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenoxy}propane-1,3-diol
(1R,2S,3R,4S,5R,6S,9R)-2,3,11,12-tetrahydroxypicrotoxan-12(15)-lactone|findlayanin
4-hydroxy-3-methoxy-11-methyldecahydro-1H-benzoxecine-1,12-dione
(S)-1-(3-(hydroxymethyl)-4-methoxy-6-oxo-6H-pyran-2-yl)pentan-2-yl acetate|pyrenocine L
(6S,7E,9S)-6,9-dihydroxy-10-(2-hydroxyethoxy)-4,7-megastigmadien-3-one|holostymegastigmadienone
9,10-Dihydro-4-(1-hydroxyethyl)-2,8-dimethylphenanthrene-1,7-diol
5-methoxy-4-(3-methyl-2-butenyl)-[1,1-biphenyl]-3,4-diol|garcibiphenyl B
Ac-(2R*,6R*,1E,3E,9E)-form-Tetrahydro-6-(1,3,9-undecatriene-5,7-diynyl)-2H-pyran-2-ol,
(2R,3R,2R)-2,3-dihydro-2-(4-hydroxyphenyl)-5-(2-hydroxypropyl)-3-methylbenzofuran
9,10-Dihydro-5-(1-hydroxyethyl)-1,7-dimethylphenanthrene-2,6-diol
(3Z,11Z,7S*,9S*,10R*)-6-chloro-7:10-epoxypentadeca-3,11-dien-1-yne-9,13-diol
1-(2,4,5-Trimethoxyphenyl)-2-acetoxy-1-hydroxypropane|2,4,5,-Tri-Me ether-1-(2,4,5-Trihydroxyphenyl)-1,2-propanediol
Clovoxamine
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
TBS-Corey Lactone Aldehyde
(4E,6E)-2-(hydroxymethyl)-3-(3-methoxy-3-oxopropyl)deca-4,6-dienoic acid
[5-hydroxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylbutanoate
(4E,6E)-2-(hydroxymethyl)-3-(3-methoxy-3-oxopropyl)deca-4,6-dienoic acid
C15H24O5_1-Naphthalenecarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-1,4-dihydroxy-2-(hydroxymethyl)-5,5,8a-trimethyl
C14H20O6_2-Phenylethyl beta-D-glucopyranoside
[5-hydroxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylbutanoate
artenimol
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BE - Artemisinin and derivatives, plain D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
promethazine
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 > R06AD - Phenothiazine derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents
Dihydroartemisinin
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BE - Artemisinin and derivatives, plain D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent Origin: Plant; SubCategory_DNP: Sesquiterpenoids Dihydroartemisinin is a potent anti-malaria agent. Dihydroartemisinin is a potent anti-malaria agent.
(4E,6E)-2-(hydroxymethyl)-3-(3-methoxy-3-oxopropyl)deca-4,6-dienoic acid [IIN-based on: CCMSLIB00000847701]
(4E,6E)-2-(hydroxymethyl)-3-(3-methoxy-3-oxopropyl)deca-4,6-dienoic acid [IIN-based: Match]
PharmaGSID_47263
CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3829; ORIGINAL_PRECURSOR_SCAN_NO 3828 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3834; ORIGINAL_PRECURSOR_SCAN_NO 3832 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3814; ORIGINAL_PRECURSOR_SCAN_NO 3813 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3836; ORIGINAL_PRECURSOR_SCAN_NO 3834 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3845; ORIGINAL_PRECURSOR_SCAN_NO 3844 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3896; ORIGINAL_PRECURSOR_SCAN_NO 3895 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7864; ORIGINAL_PRECURSOR_SCAN_NO 7862 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7878; ORIGINAL_PRECURSOR_SCAN_NO 7876 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7899; ORIGINAL_PRECURSOR_SCAN_NO 7897 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7922; ORIGINAL_PRECURSOR_SCAN_NO 7920 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7936; ORIGINAL_PRECURSOR_SCAN_NO 7934 CONFIDENCE standard compound; INTERNAL_ID 854; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7916; ORIGINAL_PRECURSOR_SCAN_NO 7914
[5-hydroxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylbutanoate_major
2-Furanpropionic acid, tetrahydro-a-(1-naphthylmethyl)-
Minquartynoic acid
A straight-chain, C18 polyunsaturated fatty acid having four conjugated C#C bonds at positions 9, 11, 13 and 15 as well as an (S)-hydroxy group at position 17.
ST 18:5;O3
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
benzyl 3-(methylamino)piperidine-1-carboxylate hydrochloride
3-benzyl-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione
2-AMINO-5-DIETHYLCARBAMOYL-4-METHYL-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
4-[(2-Isopropyl-5-methylphenoxy)methyl]phenylboronic acid
3-[(2-Isopropyl-5-methylphenoxy)methyl]phenylboronic acid
1,3-Propanediol, 2,2-methylenebis(oxymethylene)bis2-(hydroxymethyl)-
Propanoic acid,2-[4-(1-methyl-1-phenylethyl)phenoxy]-
(S)-Benzyl (piperidin-2-ylmethyl)carbamate hydrochloride
1H-Indole-1-carboxylicacid,3-(1-cyano-1-methylethyl)-,1,1-dimethylethylester
ETHYL5-BENZYL-4,5,6,7-TETRAHYDRO-1H-PYRROLO[3,2-C]PYRIDINE-2-CARBOXYLATE
BENZYL METHYL(PIPERIDIN-4-YL)CARBAMATE HYDROCHLORIDE
5-tert-butylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-amine
N-Methyl-N-[(2-Nitrophenyl)Methyl]Cyclohexanamine Hydrochloride
Siguazodan
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
Benzyl 2-(aminomethyl)piperidine-1-carboxylate hydrochloride
Methyl 3-(2-methoxy-5-methylphenyl)-3-phenylpropionate
5-(2-CHLORO-ACETYL)-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONE
5-(ISOPROPYLSULFONYL)-2-PIPERIDINOPYRIMIDIN-4-AMINE
1-(2-AMINO-PHENYL)-AZETIDINE-3-CARBOXYLICACIDMETHYLESTER
8-(TERT-BUTOXYCARBONYL)-1-OXA-2,8-DIAZASPIRO[4.5]DEC-2-ENE-3-CARBOXYLIC ACID
Pyrrolidine, 1-[(7-ethyl-3-formyl-1H-indol-1-yl)acetyl]- (9CI)
2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide
3-Methoxy-4-(4-methyl-piperidine-1-sulfonyl)-phenylamine
Azepino[4,5-b]indole-5-carboxylic acid,1,2,3,6-tetrahydro-1,1-dimethyl-,ethylester
Benzenepropanoic acid, 2-methyl-4-(phenylmethoxy)-, methyl ester
ethyl 2-(1-benzylpiperidin-4-ylidene)-2-cyanoacetate
Benzyl (piperidin-2-ylmethyl)carbamate hydrochloride
tert-butyl 3-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate
Etozolin
C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49184 - Loop Diuretic C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]boronic acid
Benzyl 3-(aminomethyl)piperidine-1-carboxylate hydrochloride
(S)-Ethyl 5-(1-((tert-butoxycarbonyl)amino)ethyl)oxazole-4-carboxylate
1-(3-chlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-1-one,hydrochloride
2-[4-(1-METHYL-1-PHENYLETHYL)PHENOXY]ACETOHYDRAZIDE
7-(tert-butoxycarbonyl)-1-oxa-2,7-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
Benzyl 4-(aminomethyl)piperidine-1-carboxylate hydrochloride
benzyl (2S)-2-ethylpiperazine-1-carboxylate,hydrochloride
(R)-Benzyl 2-(aminomethyl)piperidine-1-carboxylate hydrochloride
(R)-Benzyl (piperidin-2-ylmethyl)carbamate hydrochloride
(S)-Benzyl 3-ethylpiperazine-1-carboxylate hydrochloride
4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)aniline
3-{4-[(2-Isopropoxyethoxy)methyl]phenoxy}-1,2-propanediol
4-Methoxynaphthalen-1-ylboronic acid pinacol ester
(2R,5R)-2-tert-butyl-3,5-dimethylimidazolidin-4-one trifluoroacetic acid salt
(1-Benzo[1,3]dioxol-5-ylMethyl-piperidin-4-yl)-Methyl-aMine hydrochloride
3-(6-Amino-3-methylpyridin-2-yl)benzoic acid tert-butyl ester
Benzyl (2S)-2-(aminomethyl)-1-piperidinecarboxylate hydrochloride (1:1)
1-[2-(4-METHYL-1-PIPERIDINYL)-2-OXOETHYL]-1H-INDOLE-3-CARBALDEHYDE
(R)-BENZYL 3-(AMINOMETHYL)PIPERIDINE-1-CARBOXYLATE HYDROCHLORIDE
(S)-Benzyl 3-(aminomethyl)piperidine-1-carboxylate hydrochloride
(R)-Benzyl 3-ethylpiperazine-1-carboxylate hydrochloride
2-[4-(2,2-DIFLUORO-ETHOXY)-PHENYL]-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE
Benzyl (piperidin-4-ylmethyl)carbamate hydrochloride
Benzyl (piperidin-3-ylmethyl)carbamate hydrochloride
4-METHYLAMINO-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER-HCl
benzyl (2R)-2-ethylpiperazine-1-carboxylate,hydrochloride
Estra-1,5(10)-diene-3,4,17-trione
An o-quinone resulting from the formal oxidation of the dihydroxyphenyl moiety of 4-hydroxyestrone.
Isopromethazine
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents
Dihydroqinghaosu
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BE - Artemisinin and derivatives, plain D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides Dihydroartemisinin is a potent anti-malaria agent. Dihydroartemisinin is a potent anti-malaria agent.
2-Phenylethyl beta-D-glucopyranoside
Isolated from Riesling grapes. Constituent of Rosa damascena bulgaria (damask rose variety) and Vitis vinifera (wine grape). 2-Phenylethyl beta-D-galactopyranoside is found in many foods, some of which are herbs and spices, green vegetables, fruits, and alcoholic beverages. 2-Phenylethyl alpha-D-glucopyranoside is found in alcoholic beverages. 2-Phenylethyl alpha-D-glucopyranoside is isolated from Riesling grapes. 2-Phenylethyl beta-D-glucopyranoside is a constituent of Rosa damascena bulgaria (damask rose) and Vitis vinifera (wine grape).
N-(4-methoxyphenyl)-N-[2-(6-methylpyridin-2-yl)ethyl]acetamide
16-Oxoestrone
Estrone (also oestrone) is an estrogenic hormone secreted by the ovary. Its molecular formula is C18H22O2. estrone has a melting point of 254.5 degrees Celsius. estrone is one of the three estrogens, which also include estriol and estradiol. estrone is the least prevalent of the three hormones, estradiol being prevalent almost always in a female body, estriol being prevalent primarily during pregnancy. estrone sulfate is relevant to health and disease due to its conversion to estrone sulfate, a long-lived derivative of estrone. estrone sulfate acts as a pool of estrone which can be converted as needed to the more active estradiol. [HMDB] Estrone (also oestrone) is an estrogenic hormone secreted by the ovary. Its molecular formula is C18H22O2. estrone has a melting point of 254.5 degrees Celsius. estrone is one of the three estrogens, which also include estriol and estradiol. estrone is the least prevalent of the three hormones, estradiol being prevalent almost always in a female body, estriol being prevalent primarily during pregnancy. estrone sulfate is relevant to health and disease due to its conversion to estrone sulfate, a long-lived derivative of estrone. estrone sulfate acts as a pool of estrone which can be converted as needed to the more active estradiol. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Morphiniumone(1+)
The conjugate acid of morphinone arising from protonation of the tertiary amino group; major species at pH 7.3.
2-[(Z)-[1-(4-chlorophenyl)-5-methoxypentylidene]amino]oxyethanamine
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists
4-[(E)-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)methyl]benzoic acid
2-Hydroxy-4-[(1R)-1-hydroxy-8-methyl-6-oxononyl]-3-methyl-2H-furan-5-one
Estra-1(10),4-diene-2,3,17-trione
An o-quinone resulting from the formal oxidation of the dihydroxyphenyl moiety of 2-hydroxyestrone. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(-)-Larreatricin
A lignan that consists of a 3,4-dimethyloxolane ring substituted by 4-hydroxyphenyl groups at positions 2 and 5 respectively (the 2S,3R,4S,5S-stereoisomer). Isolated from the roots of Krameria lappacea, it exhibits anti-inflammatory activity.
Meso-3,3-Didemethoxynectandrin B
A lignan that consists of a 3,4-dimethyloxolane ring substituted by 4-hydroxyphenyl groups at positions 2 and 5 respectively (the 2R,3R,4S,5S-stereoisomer). Isolated from the roots of Krameria lappacea, it exhibits anti-inflammatory activity.
threo-(7S,8R)-1-(4-hydroxyphenyl)-2-[4-(E)-propenylphenoxy]-propan-1-ol
A natural product found in Ribes fasciculatum var chinense.
3H-indole-3-carboxylic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
Merulin B, (rel)-
D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides A natural product found in Endophytic fungi.
1,4-dihydroxy-2-(hydroxymethyl)-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-naphthalene-1-carboxylic acid
(1S,6S,9S,10S)-10-hydroxy-10-(hydroxymethyl)-2,2,6-trimethyl-7,8-dioxatricyclo[7.3.1.01,6]tridecan-5-one
alpha,alpha-diethyl-3,4,4-stilbenetriol
(2R,4S)-6,6-dimethoxy-1-phenylmethoxyhexane-2,4-diol
[3-(1-cyano-1H-isoquinolin-2-yl)-3-oxopropyl] propanoate
(3aR,4R,5R,6aS)-5-(tert-butyldimethylsilyloxy)-2-oxohexahydro-2H-cyclopenta[b]furan-4-carbaldehyde
(4-{[(3,5-Dimethylisoxazol-4-yl)methyl]amino}quinazolin-2-yl)methanol
(2S,3S,4R)-1-[cyclopentyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2R,3S,4S)-1-[cyclopentyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2R,3R,4R)-1-(cyclopentanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
(2R,3S,4R)-1-[cyclopentyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2S,3S,4S)-1-[cyclopentyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2S,3R,4R)-1-[cyclopentyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2R,3R,4S)-1-[cyclopentyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2S,3R,4S)-1-[cyclopentyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
2-[3-carboxy-3-(dimethylamino)propyl]-L-histidine
A L-histidine derivative that is L-histidine substituted at poisition 2 (on the imidazole ring) by a 3-carboxy-3-(dimethylamino)propyl group.
4-{5-[(2S)-2-azaniumyl-2-carboxylatoethyl]-1H-imidazol-2-yl}-2-(dimethylazaniumyl)butanoate
[(3aS,4R,10S,10aS)-2,6-diamino-10-hydroxy-3a,4,5,8,9,10-hexahydro-1H-pyrrolo[1,2-c]purin-7-ium-4-yl]methyl carbamate
5-Hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-14,17-dione
Methyl (2R)-2-(N-((4S)-4-(1-methylethyl)-2-oxazolidinone-3-carbamoyl)amino)-4-pentenoate
1-Hydroxy-7,8-dimethoxy-3,3,4,4-tetramethyl-10-oxatricyclo(5.2.1.0(2,5))decan-6-one
promazine
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AA - Phenothiazines with aliphatic side-chain D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics
16-Ketoestrone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Ethyl (3-methyl-4-oxo-5-piperidinothiazolidin-2-ylidene)acetate
C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
3-carboxy-4-methyl-5-(4-hydroxypentyl)-2-furanpropanoic acid
2-[3-carboxylato-3-(dimethylammonio)propyl]-L-histidine dizwitterion
An amino acid zwitterion obtained by transfer of protons from the amino to the carboxy groups of 2-[3-carboxy-3-(dimethylamino)propyl]-L-histidine.
4-(5-methoxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-7-yl)phenol
8-(3,6-dimethylhepta-2,5-dien-1-yl)-7-hydroxychromen-2-one
1-[2,3-dihydroxy-6-(hydroxymethyl)-2-methyl-3,5,6,7,8,8a-hexahydro-1h-naphthalen-1-yl]-3-hydroxypropan-1-one
(2r,3s,5s)-5-[(3z)-1-chlorohex-3-en-5-yn-1-yl]-2-[(1z)-3-hydroxypent-1-en-1-yl]oxolan-3-ol
(1r,6r)-8,9-dihydroxy-9-(hydroxymethyl)-2,2,6-trimethyl-7-oxatricyclo[6.3.1.0¹,⁶]dodecan-5-one
4-{1-hydroxy-2-[4-(prop-1-en-1-yl)phenoxy]propyl}phenol
(2r,2as,3s,4ar,7r,7ar,7br)-2,7a-bis(hydroxymethyl)-2,4a-dimethyl-1h,3h,4h,7h,7bh-cyclobuta[e]indene-2a,3,7-triol
2-[(2r,3s,6s,8s,8ar)-3,6-dihydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1h-naphthalen-2-yl]-3-hydroxypropanoic acid
2,7a-bis(hydroxymethyl)-2,4a-dimethyl-1h,3h,4h,7h,7bh-cyclobuta[e]indene-2a,3,7-triol
4-[(4e)-6-hydroperoxy-3-hydroxy-6-methylhept-4-en-2-yl]cyclohex-1-ene-1-carboxylic acid
(1r,5r)-5-hydroxy-4-methoxy-1,5-dimethyl-2,6-dioxocyclohex-3-en-1-yl (2r)-2-methylbutanoate
{[(3e)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-[(1e)-prop-1-en-1-ylimino]cyclohex-1-en-1-yl]amino}acetic acid
10-hydroxy-10-(hydroxymethyl)-2,2,6-trimethyl-7,8-dioxatricyclo[7.3.1.0¹,⁶]tridecan-5-one
4-[(1s)-1-hydroxyethyl]-2,8-dimethyl-9,10-dihydrophenanthrene-1,7-diol
(3ar,4ar,5s,8r,8ar,9ar)-8a-chloro-8-hydroxy-4a,5-dimethyl-3-methylidene-octahydronaphtho[2,3-b]furan-2-one
4-[(2s,3s,4r,5r)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]phenol
{[(3e,5s)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-[(1z)-prop-1-en-1-ylimino]cyclohex-1-en-1-yl]amino}acetic acid
4-chloro-5-hydroxy-6,6,9a-trimethyl-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-3-one
6,10-dihydroxy-4,4,8-trimethyl-1h,2h,3h-cyclohepta[a]naphthalen-9-one
4a-hydroperoxy-7-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-5,6,7,8-tetrahydro-1h-naphthalen-2-one
4-(1-hydroxyethyl)-2,8-dimethyl-9,10-dihydrophenanthrene-1,7-diol
(1r,2s,6r,7s,8r,11s,12s,13r)-1,4,4-trimethyl-10-oxatetracyclo[6.4.1.0²,⁶.0¹¹,¹³]tridecane-7,8,11,12-tetrol
5-hydroxy-3-[(1r)-1-hydroxy-8-methyl-6-oxononyl]-4-methyl-5h-furan-2-one
(2r,4r)-2,4-dimethyl-5-oxo-4-[(6e)-3-oxooct-6-en-1-yl]-1,3-dioxolane-2-carboxylic acid
(3r,3as,6r,6as,9s,9as,9br)-6,6a,9-trihydroxy-3,6,9a-trimethyl-octahydroazuleno[4,5-b]furan-2-one
1,3-di-o-[2',2'-di-(p-phenylene)isopropylidene]glycerol
{"Ingredient_id": "HBIN001214","Ingredient_name": "1,3-di-o-[2',2'-di-(p-phenylene)isopropylidene]glycerol","Alias": "NA","Ingredient_formula": "C18H20O3","Ingredient_Smile": "CC1(C2=CC=C(C=C2)OCC(COC3=CC=C1C=C3)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5480","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-hydroxyethyl)-2,6-dihydroxy-1,7-dimethyl-9,10-dihydrophenanthrene
{"Ingredient_id": "HBIN002653","Ingredient_name": "1-hydroxyethyl)-2,6-dihydroxy-1,7-dimethyl-9,10-dihydrophenanthrene","Alias": "NA","Ingredient_formula": "C18H20O3","Ingredient_Smile": "NA","Ingredient_weight": "284.38","OB_score": "42.31360231","CAS_id": "NA","SymMap_id": "SMIT00908","TCMID_id": "NA","TCMSP_id": "MOL007915","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-hydroxyaeginetic acid
{"Ingredient_id": "HBIN005776","Ingredient_name": "2-hydroxyaeginetic acid","Alias": "NA","Ingredient_formula": "C15H24O5","Ingredient_Smile": "NA","Ingredient_weight": "284.352","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8611","PubChem_id": "NA","DrugBank_id": "NA"}
5-(1-hydroxyethyl)-2,6-dihydroxy-1,7-dimethyl-9,10-dihydrophenanthrene
{"Ingredient_id": "HBIN010962","Ingredient_name": "5-(1-hydroxyethyl)-2,6-dihydroxy-1,7-dimethyl-9,10-dihydrophenanthrene","Alias": "NA","Ingredient_formula": "C18H20O3","Ingredient_Smile": "CC1=C(C(=C2C(=C1)CCC3=C2C=CC(=C3C)O)C(C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10100","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-(1-hydroxyethyl)-2,8-dihydroxy-1,7-dimethyl-9,10-dihydrophenanthrene
{"Ingredient_id": "HBIN010963","Ingredient_name": "5-(1-hydroxyethyl)-2,8-dihydroxy-1,7-dimethyl-9,10-dihydrophenanthrene","Alias": "NA","Ingredient_formula": "C18H20O3","Ingredient_Smile": "CC1=C(C=CC2=C1CCC3=C2C(=CC(=C3C)O)C(C)O)O","Ingredient_weight": "284.38","OB_score": "19.37313925","CAS_id": "NA","SymMap_id": "SMIT00723","TCMID_id": "10101","TCMSP_id": "MOL007916","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9,10-dihydro-1,7-dihydroxy-4-(1-hydroxyethyl)-2,8-dimethylphenanthrene
{"Ingredient_id": "HBIN013925","Ingredient_name": "9,10-dihydro-1,7-dihydroxy-4-(1-hydroxyethyl)-2,8-dimethylphenanthrene","Alias": "NA","Ingredient_formula": "C18H20O3","Ingredient_Smile": "NA","Ingredient_weight": "284.35","OB_score": "NA","CAS_id": "147850-91-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7316","PubChem_id": "NA","DrugBank_id": "NA"}
9,10-dihydro-2,6-dihydroxy-5-(1-hydroxyethyl)-1,7-dimethylphenanthrene
{"Ingredient_id": "HBIN013927","Ingredient_name": "9,10-dihydro-2,6-dihydroxy-5-(1-hydroxyethyl)-1,7-dimethylphenanthrene","Alias": "NA","Ingredient_formula": "C18H20O3","Ingredient_Smile": "NA","Ingredient_weight": "284.35","OB_score": "NA","CAS_id": "147850-89-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7314","PubChem_id": "NA","DrugBank_id": "NA"}
9,10-dihydro-2,7-dihydroxy-4-(1-hydroxyethyl)-1,8-dimethylphenanthrene
{"Ingredient_id": "HBIN013931","Ingredient_name": "9,10-dihydro-2,7-dihydroxy-4-(1-hydroxyethyl)-1,8-dimethylphenanthrene","Alias": "NA","Ingredient_formula": "C18H20O3","Ingredient_Smile": "NA","Ingredient_weight": "284.35","OB_score": "NA","CAS_id": "199597-54-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7310","PubChem_id": "NA","DrugBank_id": "NA"}
9,10-dihydro-7-hydroxy-2-methoxy-1,8-dimethyl-4-phenanthrenemethanol
{"Ingredient_id": "HBIN013940","Ingredient_name": "9,10-dihydro-7-hydroxy-2-methoxy-1,8-dimethyl-4-phenanthrenemethanol","Alias": "NA","Ingredient_formula": "C18H20O3","Ingredient_Smile": "NA","Ingredient_weight": "284.35","OB_score": "NA","CAS_id": "169134-57-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7302","PubChem_id": "NA","DrugBank_id": "NA"}
aeginetic acid; 2α-hydroxy
{"Ingredient_id": "HBIN014749","Ingredient_name": "aeginetic acid; 2\u03b1-hydroxy","Alias": "NA","Ingredient_formula": "C15H24O5","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7138","PubChem_id": "NA","DrugBank_id": "NA"}
bisaborosaol d
{"Ingredient_id": "HBIN018589","Ingredient_name": "bisaborosaol d","Alias": "NA","Ingredient_formula": "C15H24O5","Ingredient_Smile": "CC(C1CCC(=CC1)C(=O)O)C(C=CC(C)(C)OO)O","Ingredient_weight": "284.35 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14483","TCMID_id": "2422","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101608764","DrugBank_id": "NA"}
