Exact Mass: 300.1355
Exact Mass Matches: 300.1355
Found 500 metabolites which its exact mass value is equals to given mass value 300.1355,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Salidroside
Salidroside is a glycoside. Salidroside is a natural product found in Plantago australis, Plantago coronopus, and other organisms with data available. See also: Sedum roseum root (part of); Rhodiola crenulata root (part of). Salidroside is a prolyl endopeptidase inhibitor. Salidroside alleviates cachexia symptoms in mouse models of cancer cachexia via activating mTOR signalling. Salidroside protects dopaminergic neurons by enhancing PINK1/Parkin-mediated mitophagy. Salidroside is a prolyl endopeptidase inhibitor. Salidroside alleviates cachexia symptoms in mouse models of cancer cachexia via activating mTOR signalling. Salidroside protects dopaminergic neurons by enhancing PINK1/Parkin-mediated mitophagy.
Tolvin
A tetracyclic compound with antidepressant effects. It may cause drowsiness and hematological problems. Its mechanism of therapeutic action is not well understood, although it apparently blocks alpha-adrenergic, histamine H1, and some types of serotonin receptors. D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent Mianserin hydrochloride (Org GB 94) is a H1 receptor inverse agonist and is a psychoactive agent of the tetracyclic antidepressant. Mianserin hydrochloride (Org GB 94) is a H1 receptor inverse agonist and is a psychoactive agent of the tetracyclic antidepressant.
alpha,alpha-diethyl-3,4,3,4-stilbenetetraol
Bifenazate
Bifenazate is a carbazate acaricide that control 100\% of mites at a concentration of 25 ppm[1]. Bifenazate is a positive allosteric modulator of GABA receptor[2].
(+)-3-Hydroxylarreatricin
An antiviral lignan isolated from Larrea tridentata, which consists of a 3,4-dimethyltetrahydrofuran skeleton substituted by a dihydroxybenzyl and hydroxyphenyl groups at position 2 and 5 respectively (the 2R,3S,4R,5R stereoisomer).
dapdiamide A
A member of the family of dapdiamides consisting of alanylvaline in which one of the methyl hydrogens of alanine is replaced by a fumaramoyl group.
Phenmedipham
CONFIDENCE standard compound; INTERNAL_ID 3779 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Chlorcyclizine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AE - Piperazine derivatives C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Chlorcyclizine is a first-generation piperazine H1-antihistamine.
1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne
1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne is found in fats and oils. 1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne is a constituent of Carthamus tinctorius (safflower) Constituent of Carthamus tinctorius (safflower). 1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne is found in fats and oils and herbs and spices.
2-(3-Hydroxyphenyl)ethanol 1'-glucoside
2-(3-Hydroxyphenyl)ethanol 1-glucoside is found in fruits. 2-(3-Hydroxyphenyl)ethanol 1-glucoside is a constituent of Sambucus nigra (elderberry). Constituent of Sambucus nigra (elderberry). 2-(3-Hydroxyphenyl)ethanol 1-glucoside is found in fruits.
Myrigalone A
Myrigalone A is found in herbs and spices. Myrigalone A is isolated from Myrica gale (bog myrtle). Isolated from Myrica gale (bog myrtle). Myrigalone A is found in herbs and spices.
Myrigalon B
Myrigalon B is found in herbs and spices. Myrigalon B is isolated from Myrica gale (bog myrtle). Isolated from Myrica gale (bog myrtle). Myrigalon B is found in herbs and spices.
4-Methoxybenzyl glucoside
4-Methoxybenzyl glucoside is found in fruits. 4-Methoxybenzyl glucoside is present in fennel and marrow (flowers). Present in fennel and marrow (flowers). 4-Methoxybenzyl glucoside is found in herbs and spices and fruits.
Myrigalone E
Myrigalone E is found in herbs and spices. Myrigalone E is a constituent of Myrica gale (bog myrtle)
Promazine 5-sulfoxide
Promazine 5-sulfoxide is only found in individuals that have used or taken Promazine. Promazine 5-sulfoxide is a metabolite of Promazine. Promazine 5-sulfoxide belongs to the family of Phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.
Desmethylclomipramine
desmethylclomipramine is a metabolite of clomipramine. Clomipramine (trademarked as Anafranil) is a tricyclic antidepressant (TCA). It was developed in the 1960s by the Swiss drug manufacturer Geigy (now known as Novartis) and has been in clinical use worldwide ever since. (Wikipedia)
3-(4-Carboxybenzylidene)-6-hydroxycamphor
Desmethylranitidine
Azapropazone
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018501 - Antirheumatic Agents > D006074 - Gout Suppressants > D014528 - Uricosuric Agents D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents
Salidroside
Salidroside is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Salidroside is soluble (in water) and a very weakly acidic compound (based on its pKa). Salidroside can be found in olive, which makes salidroside a potential biomarker for the consumption of this food product. Salidroside (Rhodioloside) is a glucoside of tyrosol found in the plant Rhodiola rosea. It is thought to be one of the compounds responsible for the antidepressant and anxiolytic actions of this plant, along with rosavin. Salidroside may be more active than rosavin, even though many commercially marketed Rhodiola rosea extracts are standardised for rosavin content rather than salidroside . Salidroside is a prolyl endopeptidase inhibitor. Salidroside alleviates cachexia symptoms in mouse models of cancer cachexia via activating mTOR signalling. Salidroside protects dopaminergic neurons by enhancing PINK1/Parkin-mediated mitophagy. Salidroside is a prolyl endopeptidase inhibitor. Salidroside alleviates cachexia symptoms in mouse models of cancer cachexia via activating mTOR signalling. Salidroside protects dopaminergic neurons by enhancing PINK1/Parkin-mediated mitophagy.
3-Butyl-1-(hydroxymethyl)-1-(4-methylphenyl)sulfonylurea
2-(Diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate
2-trans,-6-trans-farnesyl monophosphate
2-trans,-6-trans-farnesyl monophosphate, also known as (2e,6e)-farnesyl phosphate or (2e,6e)-farnesol monophosphoric acid(2-), is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 2-trans,-6-trans-farnesyl monophosphate is practically insoluble (in water) and a moderately acidic compound (based on its pKa). 2-trans,-6-trans-farnesyl monophosphate can be found in a number of food items such as opium poppy, papaya, pepper (c. frutescens), and corn, which makes 2-trans,-6-trans-farnesyl monophosphate a potential biomarker for the consumption of these food products.
3,6,9-Trimethyl-7-hydroxy-7-(2-oxopropyl)-2,3,7,8-tetrahydronaphtho[1,8-bc]pyran-8-one
Phenmedipham
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 94
7-[(4-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione
Desmethylranitidine
A member of the class of furans that is a metabolite of ranitidine in rats and humans.
(-)-S-18-hydroxyminquartynoic acid|(S)-17,18-dihydroxy-9,11,13,15-octadecatetraynoic acid|(S)-18-hydroxyminquartynoic acid
1-[3-(5-allyl-2-hydroxy-phenyl)-4-hydroxy-phenyl]propane-1,2-diol
10-[2-Methyl-3-(methylamino)propyl]-10H-phenothiazin-3-ol
(2Z,4E)-3-methyl-5-(1,2,4-trihydroxy-2-hydroxymethyl-6,6-dimethylcyclohexyl)penta-2,4-dienoic acid|monaspilosuslin
1-[2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
debenzoyl-7-deoxo-1alpha,7alpha-dihydroxytashironin
Magnolignan A
3-[4-Hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl]propane-1,2-diol is a natural product found in Magnolia officinalis with data available.
3,4-Dihydro-5,7-dimethoxy-8-methyl-2-(4-hydroxyphenyl)-2H-1-benzopyran
5-methoxy-4-(4-hydroxy-3-methylbut-2-enyl)-[1,1-biphenyl]-3,4-diol|garcibiphenyl E
6-{5-[(5E)-oct-5-en-7-ynyl]thiophen-2-yl}hex-5-ynoic acid
2-amino-N-(5,6,8-trihydroxy-3-methyl-1-oxo-3,4,4a,5,6,7-hexahydroisochromen-4-yl)propanamide
5-Acetyl-2-(2-hydroxyisopropyl)-7-(3-methyl-2-butenoyl)benzofuran|5-acetyl-2-(2-hydroxyisopropyl)-7-senecioylbenzofuran
(2S)-5,4-dihydroxy-7-methoxy-6,8-dimethylflavane|cambodianin D
(R)-5-methoxy-4-(2-hydroxy-3-methylbut-3-enyl)-[1,1-biphenyl]-3,4-diol|garcibiphenyl D
(1R)-1-O-(beta-D-glucopyranosyl)-1-phenylethylene glycol|2-O-beta-glucosyl-(1R)-phenylethylene glycol|crenulatanoside C
Myrtenol-hydrogenphthalat|Myrtenylhydrophthalat|phthalic acid mono-pin-2-en-10-yl ester|Phthalsaeure-mono-mirtenylester|Phthalsaeure-mono-myrtenylester|Phthalsaeure-mono-pin-2-en-10-ylester
7-acetoxy-2-acetyl-1,1-dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline
3,5-Dihydroxy-5-heptyl-2,3,3a,5,5a,8-hexahydro-6H-1,4,7-trioxacyclopenta[c]pentalene-6-one
(R)-(-)-pyridindolol K2|(R)-(?)-pyridindolol K2|16-O-acetylpyridindolol
(S)-3-hydroxygarcibenzopyran|(S)-7-(4-hydroxyphenyl)-5-methoxy-2,2-dimethylchroman-3-ol
3-[2-(4-hydroxyphenyl)-3-hydroxymethyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol
1-(beta-Carbolin-1-yl)-3,4,5-trihydroxy-1-pentanone
1,14-Diacetoxy-tetradecatrien-(2t,8t,10t)-diin-(4,6)|Di-Ac-2,8,10-Tetradecatriene-4,6-diyne-1,14-diol
1-[2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
(-)-tricholomenyn A|Tricholomenyn A|Tricholomenyne A|tricholomenyns A
Icariside D2
Icariside D2 is a glycoside. Icariside D2 is a natural product found in Schisandra propinqua, Cyclopia subternata, and other organisms with data available.
chlorcyclizine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AE - Piperazine derivatives C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 100 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3476
Xylure
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.716 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.718 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.712 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.713
5-(3,4-dihydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol
1-[4,5-bis(hydroxymethyl)-3-methoxy-2-methylphenoxy]-3-methylbutane-2,3-diol
2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene
RAN-dm
CONFIDENCE Probable structure via diagnostic evidence, tentative identification (Level 2b); ALGAE_TP_ID 3001
C14H20O7_4-(2-Hydroxyethyl)phenyl beta-D-glucopyranoside
(2S,3R,4S,5S,6R)-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
1-[4,5-bis(hydroxymethyl)-3-methoxy-2-methylphenoxy]-3-methylbutane-2,3-diol
5-(3,4-dihydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol
2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene [IIN-based on: CCMSLIB00000847052]
2,3,5,7-tetramethoxy-9,10-dihydrophenanthrene [IIN-based: Match]
diofenolan
CONFIDENCE standard compound; INTERNAL_ID 534; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4588; ORIGINAL_PRECURSOR_SCAN_NO 4585 CONFIDENCE standard compound; INTERNAL_ID 534; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4608; ORIGINAL_PRECURSOR_SCAN_NO 4606 CONFIDENCE standard compound; INTERNAL_ID 534; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4564; ORIGINAL_PRECURSOR_SCAN_NO 4559 CONFIDENCE standard compound; INTERNAL_ID 534; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4600; ORIGINAL_PRECURSOR_SCAN_NO 4597 CONFIDENCE standard compound; INTERNAL_ID 534; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4589; ORIGINAL_PRECURSOR_SCAN_NO 4587 CONFIDENCE standard compound; INTERNAL_ID 534; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4581; ORIGINAL_PRECURSOR_SCAN_NO 4576
1-[4,5-bis(hydroxymethyl)-3-methoxy-2-methylphenoxy]-3-methylbutane-2,3-diol_major
5-(3,4-dihydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol_major
(2S,3R,4S,5S,6R)-2-[4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol_major
Ala Gly Gly Pro
Ala Pro Gly Gly
Gly Ala Gly Pro
Gly Ala Pro Gly
Gly Gly Ala Pro
Gly Gly Pro Ala
Gly Pro Gly Ala
Promazine sulfoxide
A member of the class of phenothiazines that is promazine carrying an oxo group at position 5. It is a metabolite of the anti-psychotic medication, chlorpromazine.
methyl (E)-2-methyl-4-((3aS)-1-methyl-5-oxo-2,3,5,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl)but-2-enoate
2,2,4-Trimethyl-6-(1-oxo-3-phenylpropyl)-1,3,5-cyclohexanetrione
1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne
2-(3-Hydroxyphenyl)ethanol 1'-glucoside
Zinndiol: 1-[4,5-Bis(hydroxymethyl)-3-methoxy-2-methylphenoxy]-3-methyl-2,3-butanediol
butyl prop-2-enoate,ethyl prop-2-enoate,prop-2-enoic acid
4-[(2-methoxy-4-nitrophenyl)azo]-N,N-dimethyl-Benzenamine
2-(8-chloro-6,11-dihydro-5H-benzo[1,2]cyclohepta[2,4-b]pyridin-11-yl)-N,N-dimethylethanamine
4,4,5,5-TETRAMETHYL-2-[4-(THIEN-2-YLMETHYL)PHENYL]-1,3,2-DIOXABOROLANE
3-[1,1-Biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthol
(2S)-4-Oxo-2-(3-thiazolidinylcarbonyl)-1-pyrrolidinecarboxylic acid tert-butyl ester
2,2,2-TRIFLUORO-1-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ETHANONE
(3-((2-(Diethylamino)ethyl)carbamoyl)phenyl)boronic acid hydrochloride
(4-((2-(Diethylamino)ethyl)carbamoyl)phenyl)boronic acid hydrochloride
1-[(4-CHLOROPHENYL)PHENYLMETHYL]HEXAHYDRO-1H-1,4-DIAZEPINE
8-N-BOC-AMINO-1,5-DIHYDRO-[1,2]DIAZEPINO[4,5,6-CD]INDOL-6-ONE
ETHYL 1-(2,2-DIETHOXYETHYL)-5-NITRO-1H-PYRROLE-2-CARBOXYLATE
2-amino-1-(4-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
2-[[2-methyl-4-[(4-nitrophenyl)azo]phenyl]amino]ethanol
DMU-212
DMU-212 is a methylated derivative of Resveratrol (HY-16561), with antimitotic, anti-proliferative, antioxidant and apoptosis promoting activities. DMU-212 induces mitotic arrest via induction of apoptosis and activation of ERK1/2 protein. DMU-212 has orally active[1][2].
methyl 4-[(2-butyl-5-formylimidazol-1-yl)methyl]benzoate
4,4,5,5-TETRAMETHYL-2-(4-TRIFLUOROVINYLOXY-PHENYL)-[1,3,2]DIOXABOROLANE
3-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
5-(tert-butylsulfonyl)-2-morpholinopyrimidin-4-amine
(R)-tert-butyl 4-oxo-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
2-(4-BUTYLPHENYL)-6-CHLORO-2H-1,2,3-BENZOTRIAZOL-5-AMINE
Benzoic acid,2-hydroxy-, compd. with 3-[(2S)-1-methyl-2-pyrrolidinyl]pyridine (1:1)
2,2-[[4-[(4-aminophenyl)azo]phenyl]imino]bisethanol
3-[(4-fluorophenyl)methyl]-7,7-dimethyl-6,8-dihydrochromene-2,5-dione
(S)-(+)-2-[4-(Fluorobenzyloxy-Benzylamino)propionamide]
Itasetron
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
2-(Diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists
N-(2-(3,4-Dichlorophenyl)ethyl)-N-methyl-2-(1-pyrrolidinyl)ethylamine
3-(1H-benzimidazol-2-yl)-N-(3-pyridinylmethyl)aniline
Diethyl (4-hydroxy-2-oxo-4-phenylbutyl)phosphonate
Azapropazone
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018501 - Antirheumatic Agents > D006074 - Gout Suppressants > D014528 - Uricosuric Agents D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents
rhodosin
Salidroside is a prolyl endopeptidase inhibitor. Salidroside alleviates cachexia symptoms in mouse models of cancer cachexia via activating mTOR signalling. Salidroside protects dopaminergic neurons by enhancing PINK1/Parkin-mediated mitophagy. Salidroside is a prolyl endopeptidase inhibitor. Salidroside alleviates cachexia symptoms in mouse models of cancer cachexia via activating mTOR signalling. Salidroside protects dopaminergic neurons by enhancing PINK1/Parkin-mediated mitophagy.
1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne
1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne is found in fats and oils. 1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne is a constituent of Carthamus tinctorius (safflower) Constituent of Carthamus tinctorius (safflower). 1,3-Diacetoxy-4,6,12-tetradecatriene-8,10-diyne is found in fats and oils and herbs and spices.
1-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-trimethylsilylpyrimidine-2,4-dione
(S)-N-methylcoclaurinium(1+)
The conjugate acid of (S)-N-methylcoclaurine; major species at pH 7.3.
Codeine(1+)
The conjugate acid of codeine arising from protonation of the tertiary amino group; major species at pH 7.3.
(2S)-2-[[(2S)-2-[[(E)-4-amino-4-oxobut-2-enoyl]amino]-3-azaniumylpropanoyl]amino]-3-methylbutanoate
4-[(E)-(5-hydroxy-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)methyl]benzoic acid
4,7-Dihydroxy-N,N,N-trimethyl-4,10-dioxo-3,5,9-trioxa-4lambda~5~-phosphaundecan-1-aminium
[3-Carboxy-2-[3-(carboxymethyl)-2-methylidenebut-3-enoyl]oxypropyl]-trimethylazanium
5-(4-ethoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-oxadiazol-2-amine
N-methyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]aniline
2-Cyano-N-cyclohexyl-3-(4-methylsulfanyl-phenyl)-acrylamide
1-Prop-2-enyl-5-[1-(3-pyridinylmethylamino)ethylidene]-1,3-diazinane-2,4,6-trione
2-[[(2R)-3-acetyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
(5R,8R)-8-methyl-5-phenyl-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
(7S)-7-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(4R,7S)-4-methyl-7-phenyl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(4R,7R)-4-methyl-7-phenyl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(5S)-5-(phenylmethyl)-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
(7R)-7-(phenylmethyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
1-(Dimethylamino)-3-(10-phenothiazinyl)-2-propanol
2-(5-Acetyl-2,3-dihydro-1-benzofuran-2-yl)prop-2-enyl 3-methylbut-2-enoate
N-[2-(3,4-dimethoxyphenyl)ethyl]-7H-purin-1-ium-6-amine
4-[(E)-1-hydroxy-3-phenylprop-2-enyl]-5-methoxy-2,6-dimethylbenzene-1,3-diol
2-[[(2R)-2-acetyloxy-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
[(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-1,3a,4,5,8,9-hexahydropyrrolo[1,2-c]purin-7-ium-4-yl]methyl carbamate
[(3aS,4R,9S,10R,10aS)-2,6-diamino-9,10-dihydroxy-3a,4,5,8,9,10-hexahydro-1H-pyrrolo[1,2-c]purin-7-ium-4-yl]methyl carbamate
alpha-(3,4-Dimethoxyphenyl)benzenepropanoic acid methyl ester
2-[Hydroxy-(2-hydroxy-3-propoxypropoxy)phosphoryl]oxyethyl-trimethylazanium
(2E,6E)-farnesyl monophosphate(2-)
An organophosphate oxoanion that is the dianion obtained by removal of the two protons from the monophosphate group of (2E,6E)-farnesyl monophosphate. Major species at pH 7.3.
dapdiamide A zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of dapdiamide A; major species at pH 7.3.
2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol
abacavir 5-carboxylic acid
A monocarboxylic acid oxidation product of abacavir, in which the C-5 hydroxymethyl group has been oxidised to a carboxy group. One of the two major metabolites of abacavir in humans (the other is the 5-glucuronide, CHEBI:64189).
neopine(1+)
An ammonium ion derivative that is the conjugate acid of neopine arising from protonation of the tertiary amino group; major species at pH 7.3.
BIA 10-2474
BIA 10-2474 is an inhibitor of fatty acid amide hydrolase (FAAH) with IC50 values of 50 to 70mg/kg in various rat brain regions.
Nexinhib20
Nexinhib20 is a specific Rab27a-JFC1 interaction inhibitor with a calculated IC50 of 2.6 μM. Nexinhib20 significantly inhibits superoxide anion production. Nexinhib20 efficiently decreases exocytosis of azurophilic granules in neutrophils stimulated with fMLP, GM-CSF or both. Nexinhib20 has a significant anti-inflammatory activity[1].
4-(4-hydroxy-3-methylbut-2-en-1-yl)-5-methoxy-[1,1'-biphenyl]-3,4'-diol
4,8-dimethoxy-1,3-dimethyl-9,10-dihydrophenanthrene-2,7-diol
2,3-dimethoxy-4-[(2z)-3-(2-methoxyphenyl)prop-2-en-1-yl]phenol
5-[(2r)-2,3-dihydroxypropyl]-3'-(prop-2-en-1-yl)-[1,1'-biphenyl]-2,4'-diol
methyl 2-({5-[(r)-hydroxy(phenyl)methyl]pyridin-2-yl}formamido)acetate
(2r,3s)-5-acetyl-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-3-yl (2z)-2-methylbut-2-enoate
(2s)-2-{[(2s)-3-amino-1-hydroxy-2-{[(2e)-1-hydroxy-3-(c-hydroxycarbonimidoyl)prop-2-en-1-ylidene]amino}propylidene]amino}-3-methylbutanoic acid
(8ar,10ar)-2,3-dimethoxy-8a-methyl-5-methylidene-6,9,10,10a-tetrahydroanthracene-1,4-dione
(1-hydroxy-7-isopropyl-1-methyl-2,3,3a,5,6,8a-hexahydroazulen-4-ylidene)methanesulfonic acid
1-{5-hydroxy-2,2,8,8-tetramethylpyrano[2,3-h]chromen-6-yl}ethanone
4-[5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol
1-[(1e)-2-(3,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
(2's,3s)-2-hydroxy-2'-(3-oxopentyl)spiro[indole-3,3'-pyrrolidine]-1'-carbaldehyde
(3as,5r,5as,7r,8s,9r,9as,9br)-5,8-dimethyl-1-methylidene-octahydronaphtho[2,1-b]furan-3a,7,8,9,9b-pentol
(3r,4s,5r)-3-hydroxy-8-oxo-1,7-dioxaspiro[4.4]nonan-4-yl octanoate
1,5,13-trimethyl-9,11-dioxatetracyclo[6.4.1.1⁶,¹⁰.0²,⁶]tetradecane-2,8,13,14-tetrol
(1r)-1-[(2r)-2-(3-oxoprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethyl (2e)-2-methylbut-2-enoate
(4r,6r)-4-hydroxy-6-[2-(8-hydroxy-2-methylnaphthalen-1-yl)ethyl]oxan-2-one
5-[(1r,2r)-1,2-dihydroxypropyl]-5'-(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol
2-(penta-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.5]dec-3-en-8-yl 3-methylbutanoate
3,8-dihydroxy-5,12-dimethyl-10-oxapentacyclo[7.7.1.0¹,¹⁵.0²,⁷.0¹²,¹⁷]heptadeca-2,4,6-trien-11-one
3-(hepta-1,3,5-trien-1-yl)-8-hydroxy-6-(hydroxymethyl)-5-methyl-3,4-dihydro-2-benzopyran-1-one
(1r,3r,4r,5r,6r,7s,11r)-3,4,6-trihydroxy-5-(hydroxymethyl)-4,5,11-trimethyl-8-oxatricyclo[5.3.2.0¹,⁶]dodecan-9-one
(2r,3r,4s,5s,6r)-2-[(2r)-2-hydroxy-2-phenylethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
1-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)prop-2-en-1-yl]propane-1,3-diol
(1r,2s)-1-(4-hydroxyphenyl)-2-[(2e)-3-(4-hydroxyphenyl)prop-2-en-1-yl]propane-1,3-diol
4-(2-hydroxy-3-methylbut-3-en-1-yl)-5-methoxy-[1,1'-biphenyl]-3,4'-diol
7-(4-hydroxyphenyl)-5-methoxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-3-ol
5-(1,2-dihydroxypropyl)-5'-(prop-2-en-1-yl)-[1,1'-biphenyl]-2,2'-diol
(3s,4e,6e,12e)-1-(acetyloxy)tetradeca-4,6,12-trien-8,10-diyn-3-yl acetate
(2s,3r,4s,5s,6r)-2-(4-hydroxy-3,5-dimethylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
2-(hydroxymethyl)-6-[2-(methoxymethyl)phenoxy]oxane-3,4,5-triol
1-o-β-d-glucopyranosyl-2-(3-hydroxyphenyl)-ethanol
{"Ingredient_id": "HBIN002848","Ingredient_name": "1-o-\u03b2-d-glucopyranosyl-2-(3-hydroxyphenyl)-ethanol","Alias": "NA","Ingredient_formula": "C14H20O7","Ingredient_Smile": "C1=CC(=CC(=C1)O)CCOC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8675","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3''-hydroxy-4-epi-larreatricin
{"Ingredient_id": "HBIN008658","Ingredient_name": "3''-hydroxy-4-epi-larreatricin","Alias": "NA","Ingredient_formula": "C18H20O4","Ingredient_Smile": "CC1C(C(OC1C2=CC=C(C=C2)O)C3=CC(=C(C=C3)O)O)C","Ingredient_weight": "300.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10076","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "14681580","DrugBank_id": "NA"}
