Exact Mass: 328.1495
Exact Mass Matches: 328.1495
Found 500 metabolites which its exact mass value is equals to given mass value 328.1495,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(all-E)-Crocetin
Crocetin is a 20-carbon dicarboxylic acid which is a diterpenoid and natural carotenoid. Found in the crocus flower, it has been administered as an anti-fatigue dietary supplement. It has a role as a nutraceutical, a metabolite and an antioxidant. It is a carotenoic acid, a diterpenoid and a polyunsaturated dicarboxylic acid. It is a conjugate acid of a crocetin(2-). Vitamin A-analog that increases diffusivity of oxygen in aqueous solutions, including plasma. Crocetin is a natural product found in Verbascum lychnitis, Gardenia jasminoides, and other organisms with data available. cis-Crocetin is found in herbs and spices. cis-Crocetin is occurs as glycoside in saffro COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids Occurs as glycoside in saffron. cis-Crocetin is found in herbs and spices. D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Methotrimeprazine
Methotrimeprazine is only found in individuals that have used or taken this drug. It is a phenothiazine with pharmacological activity similar to that of both chlorpromazine and promethazine. It has the histamine-antagonist properties of the antihistamines together with central nervous system effects resembling those of chlorpromazine. (From Martindale, The Extra Pharmacopoeia, 30th ed, p604)Methotrimeprazines antipsychotic effect is largely due to its antagonism of dopamine receptors in the brain. In addition, its binding to 5HT2 receptors may also play a role. 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 > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics KEIO_ID M099; [MS2] KO009123 KEIO_ID M099 Levomepromazine (Methotrimeprazine) is an orally available neuroleptic agent, which is commonly used to relieve nausea and vomiting in palliative care settings. Levomepromazine has antagonist actions at multiple neurotransmitter receptor sites, including dopaminergic, cholinergic, serotonin and histamine receptors[1].
Sobetirome
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent Same as: D09381
Carteolol hydrochloride
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents Carteolol hydrochloride (OPC-1085 hydrochloride) is a non-selective beta blocker used to treat glaucoma.
(2S)-4-{[(1R)-1-Carboxy-2-(1H-imidazol-4-yl)ethyl]amino}-2-[(1-carboxyethyl)amino]butanoate
5-Geranyloxy-7-methoxycoumarin
5-Geranyloxy-7-methoxycoumarin is found in citrus. 5-Geranyloxy-7-methoxycoumarin is isolated from lime oil (Citrus aurantifolia). Isolated from lime oil (Citrus aurantifolia). 5-Geranyloxy-7-methoxycoumarin is found in lime, lemon, and citrus. 5-Geranyloxy-7-methoxycoumarin is a terpene lactone.
Tiapride
Tiapride is a benzamide derivative with dopamine antagonist actions similar to sulpiride. It has been used as an antipsychotic and in the treatment of various movement disorders and alcoholism. 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 D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AL - Benzamides C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist
Macelignan
Macelignan is found in herbs and spices. Macelignan is a constituent of Myristica fragrans (nutmeg) Constituent of Myristica fragrans (nutmeg). Macelignan is found in herbs and spices. Macelignan ((+)-Anwulignan; Anwuligan)?is an orally active lignan isolated from Myristica fragrans. Macelignan possesses many pharmacological activities, including anti-inflammatory, anti-cancer, anti-diabetes, and neuroprotective activities[1][2][3]. Macelignan ((+)-Anwulignan; Anwuligan)?is an orally active lignan isolated from Myristica fragrans. Macelignan possesses many pharmacological activities, including anti-inflammatory, anti-cancer, anti-diabetes, and neuroprotective activities[1][2][3].
5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone
5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone is found in herbs and spices. 5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone is isolated from Alpinia officinarum (lesser galangal
8-Methoxygravelliferone
8-Methoxygravelliferone is found in herbs and spices. 8-Methoxygravelliferone is a constituent of Ruta graveolens (rue)
Phenylalanyltyrosine
Phenylalanyltyrosine is a dipeptide composed of phenylalanine and tyrosine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Guaiacin
Guaiacin is found in herbs and spices. Guaiacin is a constituent of Myristica fragrans (nutmeg). Constituent of Myristica fragrans (nutmeg). Guaiacin is found in ucuhuba and herbs and spices. Guaiacin is a arylnaphthalene type lignin isolated from the barks of Machilus thunbergii SIEB. et ZUCC (Lauraceae). Guaiacin significantly increases alkaline phosphatase activity and osteoblast differentiation[1].
Sclareapinone
Sclareapinone is found in alcoholic beverages. Sclareapinone is a constituent of Salvia sclarea (clary sage)
4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione
4,4-Dihydroxy-5,5-diisopropyl-2,2-dimethyl-3,6-biphenyldione is found in herbs and spices. 4,4-Dihydroxy-5,5-diisopropyl-2,2-dimethyl-3,6-biphenyldione is a constituent of the leaves of thyme Thymus vulgaris. Shows antioxidant activity. Constituent of the leaves of thyme Thymus vulgaris. Shows antioxidant activity. 4,4-Dihydroxy-5,5-diisopropyl-2,2-dimethyl-3,6-biphenyldione is found in herbs and spices.
Sagequinone methide A
Constituent of Salvia officinalis (sage). Sagequinone methide A is found in tea, herbs and spices, and common sage. Sagequinone methide A is found in common sage. Sagequinone methide A is a constituent of Salvia officinalis (sage)
Perilloside B
Perilloside B is found in herbs and spices. Perilloside B is a constituent of perilla (Perilla frutescens). Constituent of perilla (Perilla frutescens). Perilloside B is found in herbs and spices.
3-Hydroxy-4-isopropylbenzyl alcohol 3-glucoside
3-Hydroxy-4-isopropylbenzyl alcohol 3-glucoside is a constituent of fruit of Carum ajowan (ajowan). Constituent of fruit of Carum ajowan (ajowan)
Cymorcin monoglucoside
Cymorcin monoglucoside is a constituent of the seeds of Carum copticum (ajowan) Constituent of the seeds of Carum copticum (ajowan).
Tyrosyl-Phenylalanine
Tyrosyl-Phenylalanine is a dipeptide composed of tyrosine and phenylalanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Litcubine
Litcubine is found in fruits. Litcubine is an alkaloid from the roots of Litsea cubeba (mountain pepper
Dictyoquinazol B
Dictyoquinazol B is found in mushrooms. Dictyoquinazol B is an alkaloid from Dictyophora indusiata. Alkaloid from Dictyophora indusiata. Dictyoquinazol B is found in mushrooms.
7-hydroxyolanzapine
7-hydroxyolanzapine is a metabolite of olanzapine. Olanzapine (trade name Zyprexa or in combination with fluoxetine Symbyax) is an atypical antipsychotic, approved by the FDA for the treatment of schizophrenia and bipolar disorder. Olanzapine is structurally similar to clozapine, but is classified as a thienobenzodiazepine. The olanzapine formulations are manufactured and marketed by the pharmaceutical company Eli Lilly and Company; the drug went generic in 2011. Sales of Zyprexa in 2008 were $2.2B in the US alone, and $4.7B in total. (Wikipedia)
2-hydroxymethylolanzapine
2-hydroxymethylolanzapine is a metabolite of olanzapine. Olanzapine (trade name Zyprexa or in combination with fluoxetine Symbyax) is an atypical antipsychotic, approved by the FDA for the treatment of schizophrenia and bipolar disorder. Olanzapine is structurally similar to clozapine, but is classified as a thienobenzodiazepine. The olanzapine formulations are manufactured and marketed by the pharmaceutical company Eli Lilly and Company; the drug went generic in 2011. Sales of Zyprexa in 2008 were $2.2B in the US alone, and $4.7B in total. (Wikipedia)
1-[10-[3-(Dimethylamino)propyl]phenothiazin-2-yl]ethanol
Eplivanserin
Bis(3-methoxysalicylidene)ethylenediamine
Levopromazine
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 D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
6-[(1R,2R,3S,5S)-2-[(Z)-4-Carboxybut-2-enyl]-3,5-dihydroxycyclopentyl]-4-oxohexanoic acid
(2S)-2-Amino-3-[4-[(2S)-2-amino-3-phenylpropanoyl]oxyphenyl]propanoic acid
(2S)-2-Amino-3-[3-[(2S)-2-amino-3-phenylpropanoyl]oxyphenyl]propanoic acid
Macelignan
4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol is a lignan. Macelignan is an NSAID with antioxidant, free radical scavenging, and neuroprotective activities. Macelignan is a natural product found in Saururus cernuus, Schisandra sphenanthera, and other organisms with data available. Macelignan is a lignan isolated from nutmeg with antimicrobial and anticariogenic activity against Streptococcus mutans and other streptococcus species. C254 - Anti-Infective Agent > C52588 - Antibacterial Agent Macelignan ((+)-Anwulignan; Anwuligan)?is an orally active lignan isolated from Myristica fragrans. Macelignan possesses many pharmacological activities, including anti-inflammatory, anti-cancer, anti-diabetes, and neuroprotective activities[1][2][3]. Macelignan ((+)-Anwulignan; Anwuligan)?is an orally active lignan isolated from Myristica fragrans. Macelignan possesses many pharmacological activities, including anti-inflammatory, anti-cancer, anti-diabetes, and neuroprotective activities[1][2][3].
Guaiacin
(+)-guaiacin is a lignan. It has a role as a metabolite. Guaiacin is a natural product found in Magnolia kachirachirai, Saururus cernuus, and other organisms with data available. A natural product found in Machilus robusta. Guaiacin is a arylnaphthalene type lignin isolated from the barks of Machilus thunbergii SIEB. et ZUCC (Lauraceae). Guaiacin significantly increases alkaline phosphatase activity and osteoblast differentiation[1].
[3aS-(3aalpha,5alpha,6aalpha,9aalpha,9bbeta)]-Dodecahydro-3,6,9-tris(methylene)-2-oxoazuleno[4,5-b]furan-5-yl ester 3-methyl-2-butenoic acid
7-Geranyloxy-6-methoxycoumarin
7-Geranyloxy-6-methoxycoumarin is a natural product found in Atalantia monophylla, Murraya siamensis, and other organisms with data available.
[3aS-[3aalpha,5alpha(Z),6aalpha,9aalpha,9bbeta]]-Dodecahydro-3,6,9-tris(methylene)-2-oxoazuleno[4,5-b]furan-5-yl ester 2-methyl-2-butenoic acid
6beta-Angeloyloxy-9,10-didehydrofuranoeremophilan-1-one
5-[3-(tert-butyl)-1-(3-methylbenzyl)-1H-pyrazol-5-yl]-1,3,4-oxadiazole-2-thiol
1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol
(2S,3R,4S,5S,6R)-2-[4-(3-hydroxybutyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
11,14-dihydroxy-12,16-epoxyabieta-5,8,11,13-tetraen-7-one
1-deoxycarinatone|2-[(1S)-2-(4-hydroxy-3-methoxyphenyl)-1-methylethyl]-6-methoxy-4-(prop-2-enyl)phenol
15,16-epoxy-12-oxo-8(17),13(16),14-ent-labdatrien-20,19-olide
(3R)-3,4-epoxy-1-(4-hydroxyphenyl)-7-(3-methoxyphenyl) heptan-3-ol|Diarylheptanoid CPB-51-262-2
8-hydroxycuminyl beta-D-glucopyranoside|8-Hydroxycuminyl ??-D-glucopyranoside
2beta-angeloyloxy-1,2,5,6-tetrahydrochromolaenin-8-one
3,4,18beta-cyclopropa-7beta-hydroxy-14-oxo-ent-abieta-8,9,13,15-dien-16,12-olide|retusolide D
9alpha-9-Hydroxy-1,8(14)15-isopimaratriene-3,7,11-trione
(ent-6alpha,7alpha,8alpha,12alphaH)7,12:15,16-Diepoxy-3,13(16),14-clerodatrien-18,6-olide
3-(beta-D-Glucopyranosyloxymethyl)-2,4,4-trimethyl-2,5-cyclohexadien-1-one
1,1,5-trimethyl-2-hydroxymethyl-(2,5)-cyclohexadien-(4)-one-O-beta-D-glucopyranoside|1,1,5-trimethyl-2-hydroxymethyl-2,5-cyclohexadien-4-one-O-beta-D-glucopyranoside
7-hydroxy-15,16-epoxy-17-al-7,11,13(16)-labdatetraene-6-one|7-hydroxyhydichinal
(2R,3R)-1-phenyl-2,3-butanediol 2-O-beta-D-glucopyranoside|everlastoside I
(2S)-4,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)flavan|brosimacutin L
6beta-angeloyloxyfuranoeremophil-1(10)-en-2-one|virgaurenone A
(+)-(5S,6S,7S,8R,10R)-6-hydroxy-7,8-epoxy-12-oxo-abieta-9(11),13-dien-20-oic acid 6,20-lactone
An abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
(+)-(5S,6S,10R)-12-hydroxy-7-oxo-abieta-8,11,13-trien-20-oic acid 6,20-lactone
juglanin B
A cyclic ketone isolated from the extract of the seed husks of walnuts Juglans regia and has been shown to exhibit cytotoxic activity against human hepatoma cells.
3,6-Bis(1H-indole-3-yl)-1,2,5,6-tetrahydropyrazine-2-one
5-(1,5-dimethyl-3,4,8-trihydroxy-6-methoxy-7-oxabicyclo-[3,2,1]-oct-8-yl)-3-methyl-2,4pentadienoic acid
4-{(2S,6R)-6-[2-(4-hydroxyphenyl)ethyl]-tetrahydropyran-2-yl}-2-methoxyphenol|engelheptanoxide A
(3S)-1-(3-methoxy-4-hydroxyphenyl)-7-(4-hydroxyphenyl)-(6E)-6-hepten-3-ol
1-(3,5-dihydroxy-4-methoxyphenyl)-7-phenyl-3-heptanone
6-hydroxy-7-[(E,E)-3,7?-dimethyl-7?-hydroxy-2?,5?-octadienyloxy]coumarin
13-Allyl-3,12-dihydroxypodocarpa-6,8,12-triene-11,14-dione #
beta-D-glucopyranosyl 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate|jasminoside J
(8R)-9-hydroxycuminyl beta-D-glucopyranoside|(8R)-9-Hydroxycuminyl ??-D-glucopyranoside
4-hydroxy-6-(hydroxy(phenyl)methyl)-N-(3-methylbutyryl)nicotinamide
7beta,14,19-trihydroxy-18(4->3)abeo-abieta-3,8,11,13-tetraen-18-oic acid lactone
(1E,6E,12E)-xenica-1(9),6,12,14-tetraene-17,18:19,18-diolide
1,5-dioxo-2,3-dihydroxyrhamnofola-4(10),6,11(18),15-tetraene
(4E)-1,5-bis(4-hydroxyphenyl)-1-methoxy-2-(methoxymethyl)-4-pentene
15,16-epoxy-12-oxo-ent-halima-5(10),13(16),14-trien-18,2beta-olide|ent-halimanolide
6-methoxy-8-(3-methyl-but-2-enyl)-7-(3-methyl-but-2-enyloxy)-coumarin|6-Methoxy-8-(3-methyl-but-2-enyl)-7-(3-methyl-but-2-enyloxy)-cumarin
(2S,3S)-1-phenyl-2,3-butanediol 3-O-beta-D-glucopyranoside|(2S,3S)-1-Phenyl-2,3-butanediol 3-O-??-D-glucopyranoside
2-ene-1-one-8beta,14beta-epoxy-3,15-abiatene-16,12-olide|2-ene-8beta,14beta-epoxy-1-oxo-13,15-abiatene-16,12-olide
1-formyl-3-(2-hydroxymethyl-4-methoxyphenyl)-6-methoxy-2,4-dihydroquinazoline|dictyoquinazol B
9,11-Didehydro-GA9 methyl ester|Delta9(11)-didehydro GA9 methyl ester|ent-10beta-hydroxy-20-norgibberella-9(11),16-diene-7,19-dioic acid 7-(methyl ester) 19,10-lactone|gibberellin A73 methyl ester
Anwulignan
4-[(2R,3S)-2,3-Dimethyl-4-(1,3-benzodioxole-5-yl)butyl]-2-methoxyphenol is a natural product found in Machilus thunbergii with data available.
Triptoquinonea
Triptoquinone A is a tricyclic diterpenoid with formula C20H24O4, originally isolated from Tripterygium wilfordii. It has a role as a plant metabolite and an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is an alpha,beta-unsaturated monocarboxylic acid, an abietane diterpenoid, a carbotricyclic compound, a tricyclic diterpenoid, a member of p-quinones and a cyclic terpene ketone. Triptoquinone A is a natural product found in Tripterygium wilfordii and Tripterygium doianum with data available. A tricyclic diterpenoid with formula C20H24O4, originally isolated from Tripterygium wilfordii.
tiapride
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 D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AL - Benzamides C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist CONFIDENCE standard compound; INTERNAL_ID 2278 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3028
4-[4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
2-hydroxy-2-[2-oxo-2-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]ethyl]butanedioic acid
6-[(3,3-dimethyloxiran-2-yl)methyl]-7-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one
CPP_329.1415_17.9
CONFIDENCE Probable structure via diagnostic evidence, tentative identification (Level 2b); INTERNAL_ID 302
10phiC10SPC (STANDARD)
Auto-extracted from 131001_neg_02.mzML; CONFIDENCE Reference Standard (Level 1); Kindly provided by Jennifer Field, Oregon State University; Synthesis according to P.W. Taylor and G. Nickless, J. Chromotography, 178 (1979) 259-269.
SPA-10C (SAMPLE)
Auto-extracted from 131001_neg_03.mzML; CONFIDENCE Tentative identification: isomers possible (Level 3)
C16H24O7_4-(3-Hydroxybutyl)phenyl beta-D-glucopyranoside
C16H24O7_beta-D-Glucopyranoside, 5-(hydroxymethyl)-2-(1-methylethyl)phenyl
C16H24O7_beta-D-Glucopyranoside, 4-hydroxy-2-methyl-5-(1-methylethyl)phenyl
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-5-propan-2-ylphenoxy)oxane-3,4,5-triol
Levomepromazine
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 > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics Levomepromazine (Methotrimeprazine) is an orally available neuroleptic agent, which is commonly used to relieve nausea and vomiting in palliative care settings. Levomepromazine has antagonist actions at multiple neurotransmitter receptor sites, including dopaminergic, cholinergic, serotonin and histamine receptors[1].
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-5-propan-2-ylphenoxy)oxane-3,4,5-triol_major
(2S,3R,4S,5S,6R)-2-[4-(3-hydroxybutyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol_major
9,15-dioxo-11R-hydroxy-2,3,4,5-tetranor-prostan-1,20-dioic acid
Phe-Tyr
A dipeptide formed from L-phenylalanine and L-tyrosine residues.
Tyr-Phe
A dipeptide formed from L-tyrosine and L-phenylalanine residues.
Cymorcin monoglucoside
3-Hydroxy-4-isopropylbenzyl alcohol 3-glucoside
DICTYOQUINAZOL B
Perilloside B
Phencarbamide
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant
3-(1H-IMIDAZOL-4-YL)PROPYL-DI(4-FLUORO-PHENYL)-METHYL ETHER HCL
tert-Butyl 5-methyl-3-((trimethylsilyl)ethynyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
(S)-3-(benzylamino)-2-(benzyloxycarbonylamino)propanoic acid
4-(2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-ol
(5R)-3-amino-7-methyl-5,9-diphenyl-2-oxa-8,9-diazabicyclo[4.3.0]nona-3,7,10-triene-4-carbonitrile
4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium tetrafluoroborate
N-[(1R)-2-Amino-1-(4-methoxyphenyl)-2-oxoethyl]-4-methoxybenzeneacetamide
Imazaquin ammonium
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
n,n-diethyl-4-[(2-methoxy-4-nitro)phenylazo]aniline
Eplivanserin
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents
[4-(4-fluoro-phenyl)-piperazin-1-yl]-p-tolyl-acetic acid
tert-butyl N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]carbamate
2-(3-hydroxypropyl)-6-[(3-hydroxypropyl)amino]-1H-benz[de]isoquinoline-1,3(2H)-dione
(2R)-3-Carboxy-N,N,N-trimethyl-2-(propionyloxy)-1-propanaminium chloride - glycine (1:1:1)
2,3:4,5-Bis-O-(1-methylethylidene)-beta-D-fructopyranose 1-(2-methyl-2-propenoate)
diethyl 4,4-diaMino-[1,1-biphenyl]-2,2-dicarboxylate
2-(5-Butoxy-4-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
6-[[(1,1-Dimethylethoxy)carbonyl]amino]hexanoic acid 2,5-dioxo-1-pyrrolidinyl ester
7-amino-N-cyclohexyl-1-methyl-2-thiazolo[3,2-a]benzimidazolecarboxamide
N-(4-chlorophenyl)-2-phenyl-N-piperidin-4-ylacetamide
N,N-bis(2-hydroxy-3-Methoxy-benzylidene)ethylenediaMine
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
N-[2-[2-(2-acetamidophenoxy)ethoxy]phenyl]acetamide
N-cyclohexyl-2-[[6-(2-pyridinyl)-3-pyridazinyl]thio]acetamide
2-(2-Hydroxy-biphenyl)-1h-benzoimidazole-5-carboxamidine
4-[(3r)-3-{[2-(4-Fluorophenyl)-2-Oxoethyl]amino}butyl]benzamide
(2S)-4-(2,5-Difluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid
2-Amino-3-[4-Hydroxy-6-Oxo-3-(2-Phenyl-Cyclopropylimino)-Cyclohexa-1,4-Dienyl]-Propionic Acid
4-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
1-{4-[(4-Chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-one
N-methyl-N-phenyl-4-pyrimidin-5-yl-1H-indole-2-carboxamide
(6aS)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,11-diol
3-[(2S,4S)-2,4-dimethylhexanoyl]-5-(4-hydroxyphenyl)-2-oxo-1H-pyridin-4-olate
(2S)-2-(1-carboxyethylamino)-4-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]butanoic acid
(2S)-2-Amino-3-[4-[(2S)-2-amino-3-phenylpropanoyl]oxyphenyl]propanoic acid
7-[2-(3-carboxypropyl)-3-oxocyclopentyl]-7-hydroxy-5-oxoheptanoic acid
2-[(2-Acetyloxy-3-ethoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
6-[2-[(E)-4-carboxybut-2-enyl]-3,5-dihydroxycyclopentyl]-4-oxohexanoic acid
6-methyl-2-oxo-5-[oxo-(1-phenylethylamino)methyl]-1H-pyridine-3-carboxylic acid ethyl ester
Naloxone(1+)
An ammonium ion resulting from the protonation of the nitrogen of naloxone.
4-[[[(2-Methoxyphenyl)methylamino]-oxomethyl]amino]benzoic acid ethyl ester
3,4,5-trihydroxy-2-(2-phenylhydrazono)pentanal N-phenylhydrazone
5-Methyl-2-phenyl-4-[(3-quinolinylamino)methylidene]-3-pyrazolone
[4-(2-Methylphenyl)-1-piperazinyl]-(5-propyl-3-thiophenyl)methanone
2-Butyl-3-[(3-chlorophenyl)methyl]-5-methyl-6-imidazo[4,5-b]pyridinamine
6-(butan-2-ylthio)-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
1,9,10-Trihydroxy-2-methoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-ium
2-[[[2-(2-Methoxyphenyl)ethylamino]-oxomethyl]amino]benzoic acid methyl ester
(1S)-2-(1H-indol-3-yl)-1-[5-(3-methylbut-2-enylthio)-1,3,4-oxadiazol-2-yl]ethanamine
N-tert-butyl-2-hydroxy-3-[(2-oxo-1,2,3,4-tetrahydroquinolin-5-yl)oxy]propan-1-aminium chloride
N-[(2S,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
[(1R,2aS,8bS)-2-[(2-chlorophenyl)methyl]-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
N-[(2S,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
N-[(2S,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
N-[(2S,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
N-[(2R,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
[(1S,2aS,8bS)-2-[(2-chlorophenyl)methyl]-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
N-[(2R,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
N-[(2R,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
N-[(2R,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
[(1S,2aR,8bR)-2-[(2-chlorophenyl)methyl]-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
[(1R,2aR,8bR)-2-[(2-chlorophenyl)methyl]-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
[O-(1-O-Ethyl-2-O-acetyl-L-glycero-3-phospho)choline]anion
2-[[(2R)-3-butanoyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[(2R)-2-butanoyloxy-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-Isopropyl-5-(hydroxymethyl)phenyl beta-D-glucopyranoside
2-Hydroxy-2-[2-oxo-2-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]ethyl] butanedioic acid
2-Amino-3-cyano-4,8-bis(methoxymethyl)azulene-1-carboxylic acid ethyl ester
1-(4-Methoxyphenyl)-1,3-bis(methylthio)-4-(trimethylsilyl)butane
8,13-Dioxo-5,6,7,8,13,14,15,16-octahydro-6,15-methanobenzo(A)naphtho(2,3-F)cyclodecene
9,12-Dioxo-5,6,7,9,12,14,15,16-octahydro-6,15-methanobenzo(A)naphtho(2,3-F)cyclodecene
2-[(3-Butanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
reticulinylium
A benzylisoquinoline alkaloid that is obtained by selective dehydrogenation at the 1,2-position of reticuline.
alpha-L-Fucp-(1->2)-D-Man-OH
An alpha-L-fucoside resulting from the formal condensation of the hydroxy group at position 2 of D-mannitol with alpha-L-fucose.
prostaglandin E2-UM
A prostanoid that is prostaglandin E2 in which the acyclic hydroxy group has been oxidised to the corresponding ketone, the methyl group has been oxidised to the corresponding carboxylic acid and the 6-carboxyhexenyl group has been oxidatively cleaved to a 2-carboxyethyl group. It is the major urinary metabolite of prostaglandin E2.
alpha-L-Fucp-(1->3)-D-mannitol
A disaccharide that is D-mannitol in which the hydroxy group at position 3 has been converted into the corresponding alpha-L-fucoside.
(2e,4e)-3-methyl-5-[(1s,2s,3r,5r,7r,8s)-2,3,8-trihydroxy-7-methoxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]penta-2,4-dienoic acid
2-(2-hydroxy-5-isopropyl-4-methylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(7s,12ar)-2,9-dihydroxy-3,10-dimethoxy-7-methyl-5h,6h,12h,12ah-indolo[2,1-a]isoquinolin-7-ium
2,4,4-trimethyl-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohexa-2,5-dien-1-one
2-methyl-10-(3-methylbut-2-en-1-yl)-5,10-diazatetraphen-12-one
(4s,8r,13r,16r)-4,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadec-11-ene-2,5,10-trione
3-methyl-5-[(1s,2s,3r,5r,7r,8s)-2,3,8-trihydroxy-7-methoxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]penta-2,4-dienoic acid
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (4s)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylate
2-(4-hydroxy-2-isopropyl-5-methylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-(2-hydroxy-5-isopropyl-4-methylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,4s)-4-(acetyloxy)-5-[(1s,3s,5r)-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-3-yl]pentan-2-yl acetate
(3r,4s,5s,6r)-2-(2-hydroxy-6-isopropyl-3-methylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
2-isopropyl-5-methyl-1,4-benzenediol; 5-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN005854","Ingredient_name": "2-isopropyl-5-methyl-1,4-benzenediol; 5-o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C16H24O7","Ingredient_Smile": "NA","Ingredient_weight": "328.36","OB_score": "NA","CAS_id": "95645-53-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8600","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxythymol 3-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN013291","Ingredient_name": "7-hydroxythymol 3-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C16H24O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10763","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-hydroxycuminyl β-d-glucopyranoside
{"Ingredient_id": "HBIN013776","Ingredient_name": "8-hydroxycuminyl \u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C16H24O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9949","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(8r)-9-hydroxycuminyl β-d-glucopyranoside
{"Ingredient_id": "HBIN013895","Ingredient_name": "(8r)-9-hydroxycuminyl \u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C16H24O7","Ingredient_Smile": "CC(CO)C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9950","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
