Exact Mass: 349.2042
Exact Mass Matches: 349.2042
Found 378 metabolites which its exact mass value is equals to given mass value 349.2042,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cetiedil
C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D006401 - Hematologic Agents > D000986 - Antisickling Agents ATC code: C04AX26
Fenpropathrin
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins
Murrayazolinine
Murrayazolinine is found in herbs and spices. Murrayazolinine is an alkaloid from the stem bark of Murraya koenigii (curryleaf tree
Demethoxyfumitremorgin C
Demethoxyfumitremorgin C is produced by Aspergillus fumigatu
Mahanimbinine
Mahanimbinine is found in herbs and spices. Mahanimbinine is an alkaloid from leaves of Murraya koenigii (curryleaf tree
Coutaric acid
Coutaric acid is a fecal metabolite from grape juice. It may also be in urine. It is an ester formed from coumaric acid and tartaric acid.
(3R,4S)-2-[6-(Cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
(S)-N1-((1H-Benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
N-Hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-2-propenamide
Dipipanone
C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
Pancopride
Sodium dodecylbenzenesulfonate
Surfactant for use in washing or lye peeling of fruit and vegetables and in poultry scald solutions
Arachin
Arachin is a member of the class of compounds known as quinazolinamines. Quinazolinamines are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups. Arachin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Arachin can be found in peanut, which makes arachin a potential biomarker for the consumption of this food product. Kodashim or Kodshim or Qodhashim (Hebrew: קדשים "Holy Things") is the fifth Order in the Mishnah (also the Tosefta and Talmud). Of the six Orders of the Mishnah, it is the third longest. Kodoshim deals largely with the religious service within the Temple in Jerusalem, the qorbanot ("sacrificial offerings"), and other subjects considered or related to these "Holy Things" .
(5Z)-(15S)-11-alpha-hydroxy-9,15-dioxoprosta-13-enoate
(5z)-(15s)-11-alpha-hydroxy-9,15-dioxoprosta-13-enoate, also known as 15-dehydro-prostaglandin e2 anion, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid (5z)-(15s)-11-alpha-hydroxy-9,15-dioxoprosta-13-enoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). (5z)-(15s)-11-alpha-hydroxy-9,15-dioxoprosta-13-enoate can be found in a number of food items such as maitake, green zucchini, yellow pond-lily, and canada blueberry, which makes (5z)-(15s)-11-alpha-hydroxy-9,15-dioxoprosta-13-enoate a potential biomarker for the consumption of these food products. (5z)-(15s)-11-α-hydroxy-9,15-dioxoprosta-13-enoate, also known as 15-dehydro-prostaglandin e2 anion, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid (5z)-(15s)-11-α-hydroxy-9,15-dioxoprosta-13-enoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). (5z)-(15s)-11-α-hydroxy-9,15-dioxoprosta-13-enoate can be found in a number of food items such as maitake, green zucchini, yellow pond-lily, and canada blueberry, which makes (5z)-(15s)-11-α-hydroxy-9,15-dioxoprosta-13-enoate a potential biomarker for the consumption of these food products.
16, 17-dihydro-16alpha, 17-dihydroxy GA9
16, 17-dihydro-16alpha, 17-dihydroxy ga9 is also known as 16α, 17-[oh]2 gibberellin a9. 16, 17-dihydro-16alpha, 17-dihydroxy ga9 is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 16, 17-dihydro-16alpha, 17-dihydroxy ga9 can be found in a number of food items such as spirulina, leek, tinda, and fenugreek, which makes 16, 17-dihydro-16alpha, 17-dihydroxy ga9 a potential biomarker for the consumption of these food products. 16, 17-dihydro-16α, 17-dihydroxy ga9 is also known as 16α, 17-[oh]2 gibberellin a9. 16, 17-dihydro-16α, 17-dihydroxy ga9 is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 16, 17-dihydro-16α, 17-dihydroxy ga9 can be found in a number of food items such as spirulina, leek, tinda, and fenugreek, which makes 16, 17-dihydro-16α, 17-dihydroxy ga9 a potential biomarker for the consumption of these food products.
12,13-Dihydroprolyl-2-(1,1-dimethylallyltryptophyl) diketopiperazine
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-benzyl-1h-indole-3-carboxamide
3-[2-(1,1-Dimethyl-2-propenyl)-1H-indole-3-ylmethyl]-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
19-(alpha-Methyl)-18-deoxy-15,22-dihydro-3-iso-cadamin|5-methyl-3,5,7,8,13,13b,14,14a-octahydro-indolo[2,3:3,4]pyrido[1,2-b][2,7]naphthyridine-1-carboxylic acid methyl ester
Mahanimbinine
2-(2-amino-beta-D-2-deoxy-gulopyranosylamino)-5-(2-amino-1-hydroxy-ethyl)-4,5-dihydro-1H-imidazole-4-carboxylic acid
Murrayazolinine
(-)-lepadin C|(2S,3S,4aS,5S,8aR)-2-methyl-5-[(1E,3E)-7-oxo-1,3-octadienyl]decahydro-3-quinolinyl hydroxyacetate|lepadin C
2-[6-(1,3-Benzodioxole-5-yl)hexyl]-4(1H)-quinolinone
Abiraterone
A 3beta-sterol that is androsta-5,16-dien-3beta-ol substituted at position 17 by a 3-pyridyl group. Administered as the O-acetate, it is used for treatment of metastatic castrate-resistant prostate cancer. L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen C471 - Enzyme Inhibitor > C147923 - CYP17A1 Inhibitor
12,13-dehydroprolyl-2-(1,1-dimethylallyltryptophyl)diketopiperazine
dipipanone
C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
Coutaric acid
Demethoxyfumitremorgin C
An organic heteropentacyclic compound that is a mycotoxic indole alkaloid, consisting of fumitremorgin C lacking the 9-methoxy substituent.
3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1H-indol-2-one
Vernakalant
C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent C93038 - Cation Channel Blocker
2-((TERT-BUTYLDIMETHYLSILYLOXY)METHYL) PYRIDINE-4-BORONIC ACID PINACOL ESTER
1-Benzyl 4-tert-butyl 2-(aminomethyl) piperazine-1,4-dicarboxylate
5-(Bis(2-hydroxyethyl)amino)-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester
n-(3-acryloxy-2-hydroxypropyl)-3-aminopropyltriethoxysilane
METHYL 3-CYCLOHEXYL-2-(2-HYDROXYPHENYL)-1H-INDOLE-6-CARBOXYLATE
(R )-5-(2-aminopropyl)-1-(3-benzyloxypropyl) indoline-7-carbonitrile
3-(((TERT-BUTYLDIMETHYLSILYL)OXY)METHYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE
2-AMINO-1-BENZYL-4,5-DIPHENYL-1H-PYRROLE-3-CARBONITRILE
TERT-BUTYL (S)-4-(CBZ-AMINO)-5-METHYL-3-OXOHEXANOATE
1-[(TERT-BUTYL)OXYCARBONYL]-3-(4-METHOXYBENZYL)PIPERIDINE-3-CARBOXYLIC ACID
TERT-BUTYL (2-METHOXY-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)CARBAMATE
2-CYCLOHEXYL-1-OXO-3-PHENYL-1,2,3,4-TETRAHYDRO-4-ISOQUINOLINECARBOXYLIC ACID
6-([(tert-Butyldimethylsilyl)oxy]methyl)pyridine-3-boronic acid pinacol ester
1-METHYL-N-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)-1H-BENZO[D]IMIDAZOL-2-AMINE
Panobinostat
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XH - Histone deacetylase (hdac) inhibitors D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D000970 - Antineoplastic Agents
2-piperidin-1-ylethyl 2,2-diphenylcyclopropane-1-carboxylate
1-tert-butyl 2-Methyl 2-(2-(benzylaMino)ethyl)azetidine-1,2-dicarboxylate
N6-Cyclohexyladenosine
N6-Cyclohexyladenosine is a selective adenosine A1 receptor agonist (EC50 = 8.2 nM). N6-Cyclohexyladenosine is a selective adenosine A1 receptor agonist (EC50 = 8.2 nM).
Methylamino-phenylalanyl-leucyl-hydroxamic acid
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D061965 - Matrix Metalloproteinase Inhibitors
1-[1-(3-Aminophenyl)-3-Tert-Butyl-1h-Pyrazol-5-Yl]-3-Phenylurea
N-(1H-benzimidazol-2-ylmethyl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
PAPP
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists LY 165163 is a potent 5-HT presynaptic receptor agonist. LY 165163 significantly decreases 5-HTP accumulation and increases DOPA accumulation in the cortex and striatum[1].
1-Azabicyclo[2.2.2]octan-3-yl-bis(3,4-dimethylphenyl)methanol
Oxayohimbanium, 3,4,5,6,16,17-hexadehydro-16-(methoxycarbonyl)-19-methyl-, (19alpha,20alpha)-
2-(cyclohexylamino)-N-[(diphenylmethylene)amino]propanamide
cis-4-Methyl-N-[(1S)-3-(methylsulfanyl)-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide
2-[2-[(2-Amino-3-phenylpropanoyl)amino]propanoylamino]-4-methylpentanoic acid
resolvin E1(1-)
An icosanoid anion resulting from the removal of a proton from the carboxy group of resolvin E1; major species at pH 7.3.
5(S)-hydroperoxy-18(R)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoate
An icosanoid anion arising from deprotonation of the carboxylic acid function of 5(S)-hydroperoxy-18(R)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid; major species at pH 7.3.
15-dehydro-prostaglandin E2(1-)
Conjugate base of 15-dehydro-prostaglandin E2.
15-dehydro-prostaglandin I2(1-)
Conjugate base of 15-dehydro-prostaglandin I2.
15-dehydro-prostaglandin D2(1-)
Conjugate base of 15-dehydro-prostaglandin D2.
(6E)-2-methoxy-6-[4-(2-methylpiperidin-1-yl)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one
2-[[[(E)-4-aminobut-2-enyl]-methylamino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol
Cathestatin A
A dicarboxylic acid monoamide obtained by the formal condensation of the carboxylic group of oxirane-2,3-dicarboxylic acid with the amino group of N-(4-aminobutyl)-L-phenylalaninamide (the 2S,3S stereoisomer). An antibiotic isolated from the fermentation broth of Penicillium citrinum, it acts as a potent inhibitor of cysteine protease.
Pyrrolo(1,2-a)pyrazine-1,4-dione, 3-((2-(1,1-dimethyl-2-propenyl)-1H-indol-3-yl)methyl)-2,3,6,7-tetrahydro-, (S)-
(5S)-hydroperoxy-18-hydroxy-EPE(1-)
An icosanoid anion that is the conjugate base of (5S)-hydroperoxy-18-hydroxy-EPE, arising from deprotonation of the carboxylic acid group; major species at pH 7.3.
(5S,6Z,8E,10E,12R,14Z,16E,18S)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoate
N-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(phenylmethyl)propanamide
prostaglandin D3(1-)
A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin D3, obtained by deprotonation of the carboxy group; major species at pH 7.3.
15-oxolipoxin A4(1-)
A hydroxy fatty acid anion obtained by deprotonation of the carboxy function of 15-oxolipoxin A4; major species at pH 7.3.
20-oxoleukotriene B4(1-)
A leukotriene anion that is the conjugate base of 20-oxoleukotriene B4 arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
N-(4-tert-butylphenyl)-2-[4-(1-imidazolyl)phenoxy]acetamide
1-[1-Methyl-2-(1-pyrrolidinylmethyl)-5-benzimidazolyl]-3-phenylurea
1-[4-(4-hydroxyphenyl)-1-piperazinyl]-3-(1H-indol-3-yl)-1-propanone
1-(2-methylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea
(5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoate
An icosanoid anion that is the conjugate base of (5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid, arising from deprotonation of the carboxylic acid group; major species at pH 7.3.
N-[(2-hydroxy-1-naphthalenyl)-(4-methoxyphenyl)methyl]-2-methylpropanamide
N-(4-Oxo-3,4-dihydro-quinazolin-2-ylmethyl)-N-phenethyl-butyramide
(5Z,13E,15S,17Z)-11alpha,15-dihydroxy-9-oxoprosta-5,13,17-trien-1-oate
(5Z,9S,11R,13E,15S,17Z)-15-Hydroxy-9,11-epidioxyprosta-5,13,17-trienoate
N1-cyclohexyl-4-(4-fluorobenzyl)-1,4-diazepane-1-carbothioamide
2-[(1-Methyl-2-benzimidazolyl)amino]-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one
(5S,6Z,8E,10E,14Z)-5,20-dihydroxy-12-oxoicosa-6,8,10,14-tetraenoate
(7E,9E,11Z,13E,15R,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoate
(6Z,8E,10E,14Z,16E,18R)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoate
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid
(2R,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
2-(dimethylamino)-1-[(1S,5R)-7-[4-(3-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanone
2-[(3R,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(3S,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(3S,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide
(2S,3S)-8-(dimethylamino)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
(2S,3S)-8-(dimethylamino)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
(2R,3R)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
(1S,5R)-7-[4-(2-methylphenyl)phenyl]-N-propyl-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide
(1R,5S)-7-[4-(4-methylphenyl)phenyl]-N-propyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
(2R,3R)-8-(dimethylamino)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
(2S,3R)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
(2R,3S)-8-(dimethylamino)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
(2R,3R)-10-(dimethylamino)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
(2R,3R)-8-(dimethylamino)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
(2S,3R)-8-(dimethylamino)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
(2R,3S)-8-(dimethylamino)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
(2R,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
(2S,3R)-8-(dimethylamino)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
(2S,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
(2S,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
2-[(3R,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide
(5E)-2-(diethylamino)-5-[(4-methoxyphenyl)methylidene]-3-phenylimidazol-4-one
2-N-methyl-2-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrimido[4,5-d]pyrimidine-2,5,7-triamine
(3S,8R,9R,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
1-[Diethyl(phenylethynyl)silyl]-2-(diethylsilyl)benzene
Fenpropathrin
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins
Cetiedil
C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D006401 - Hematologic Agents > D000986 - Antisickling Agents ATC code: C04AX26
2-[6-(Cyclohexylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
prostaglandin E3(1-)
A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin E3, obtained by deprotonation of the carboxy group; major species at pH 7.3.
prostaglandin H3(1-)
A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin H3, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(18S)-resolvin E1(1-)
An icosanoid anion that is the conjugate base of (18S)-resolvin E1, obtained by deprotonation of the carboxy group; major species at pH 7.3.
alstonine(1+)
An organic cation resulting from the protonation of the carbonilide moiety of alstonine. The major microspecies at pH 7.3.
serpentine(1+)
An organic cation that is the conjugate acid of serpentine. It is the major species at pH 7.3.
ML289
ML289 (VU0463597) is a potent, selective, and CNS-penetrant mGlu3 (IC50=0.66 μM) negative allosteric modulator. ML289 displays >15-fold selectivity over mGlu2 and is inactive against mGlu5[1]. ML289 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
Reutericyclin
Reutericyclin (Reutericycline), a unique tetramic acid, is an antibiotic produced by some strains of Lactobacillus reuteri. Reutericyclin (Reutericycline) exhibits a broad inhibitory spectrum including Lactobacillus spp., Bacillus subtilis, B. cereus, Enterococcus faecalis, Staphylococcus aureus, and Listeria innocua[1][2].
1-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-6-methyl-9h-carbazole-2,7-diol
1-hydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one
11-hydroxy-4,8,12-trimethyl-13-(2-methyl-1,3-thiazol-4-yl)trideca-8,12-dien-3-one
(1s,13s,15r,16r)-12,12,16-trimethyl-10,19,21-triazahexacyclo[13.5.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]docosa-3(11),4,6,8,21-pentaen-22-ol
12,12,16-trimethyl-10,19,21-triazahexacyclo[13.5.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]docosa-3(11),4,6,8,21-pentaen-22-ol
(2e)-3-phenyl-n-(4-{[(2e)-3-phenylprop-2-enoyl]oxy}butyl)prop-2-enimidic acid
(3s)-1-hydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-3h,6h,7h-pyrrolo[1,2-a]pyrazin-4-one
(3z,8as)-1-hydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one
(8e)-9-{[(2s)-1-hydroxy-3-(2-hydroxyphenyl)propan-2-yl]-c-hydroxycarbonimidoyl}non-8-enoic acid
17-(hydroxymethyl)-12-methyl-8-azapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadec-7-ene-7,9,17-triol
5-hydroxy-4-(5-hydroxyhex-2-en-1-yl)-4-(2-methyl-6-oxooxan-4-yl)-2-(propan-2-ylidene)pyrrol-3-one
(20r)-5,11-dimethoxy-16-azapentacyclo[12.7.0.0²,⁷.0⁸,¹³.0¹⁶,²⁰]henicosa-1(14),2(7),3,5,8(13),9,11-heptaen-10-ol
(1r,2r,10s,11s,12s,13r,15r)-11-(acetyloxy)-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadecan-12-yl acetate
(5S,6S,15R)-15-Methyllycopodane-5,6-diol 5,6-diacetate
{"Ingredient_id": "HBIN011943","Ingredient_name": "(5S,6S,15R)-15-Methyllycopodane-5,6-diol 5,6-diacetate","Alias": "NA","Ingredient_formula": "C20H31NO4","Ingredient_Smile": "CC1CC2C3CCCN4C3(C1)C(CCC4)C(C2OC(=O)C)OC(=O)C","Ingredient_weight": "349.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "459","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21576176","DrugBank_id": "NA"}
acetylfawcettiine
{"Ingredient_id": "HBIN014474","Ingredient_name": "acetylfawcettiine","Alias": "NA","Ingredient_formula": "C20H31NO4","Ingredient_Smile": "CC1CC23C4CCCN2CCCC3C(CC4C1OC(=O)C)OC(=O)C","Ingredient_weight": "349.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38577","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101500246","DrugBank_id": "NA"}
