Exact Mass: 349.22529660000004
Exact Mass Matches: 349.22529660000004
Found 271 metabolites which its exact mass value is equals to given mass value 349.22529660000004,
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
AMD-070
C308 - Immunotherapeutic Agent > C63817 - Chemokine Receptor Antagonist > C107589 - CXCR4 Inhibitor
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.
(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
Vernakalant
C20H31NO4 (349.22529660000004)
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.
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
Oxime-(3alpha,5beta,20R)-3,20-Dihydroxypregnan-11-one
C21H35NO3 (349.26168000000007)
Murrayazolinine
(4R*,4aS*,6R*,7S*,7aR*)-octahydro-2,4,7-trimethyl-1H-cyclopenta[c]pyridin-6-yl (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoate|incarvine E
C21H35NO3 (349.26168000000007)
(-)-lepadin C|(2S,3S,4aS,5S,8aR)-2-methyl-5-[(1E,3E)-7-oxo-1,3-octadienyl]decahydro-3-quinolinyl hydroxyacetate|lepadin C
C20H31NO4 (349.22529660000004)
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.
L-Alanine, N-(1-carboxyethyl)- (9CI)
C17H32ClNO4 (349.20197420000005)
3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1H-indol-2-one
N,N-Dimethyl-N-octyl-1-octanaminium bromide
C18H40BrN (349.23439400000007)
Vernakalant
C20H31NO4 (349.22529660000004)
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
C18H32BNO3Si (349.22443920000006)
1-Benzyl 4-tert-butyl 2-(aminomethyl) piperazine-1,4-dicarboxylate
azepan-2-one,butane-1,4-diol,hexanedioic acid
C16H31NO7 (349.21004159999995)
5-(Bis(2-hydroxyethyl)amino)-1-methyl-1H-benzimidazole-2-butanoic acid ethyl ester
3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[tris(propan-2-yl)silyl]-1H-pyrrole
n-(3-acryloxy-2-hydroxypropyl)-3-aminopropyltriethoxysilane
C15H31NO6Si (349.19205459999995)
Trifluralin D14 (di-n-propyl D14)
C13H2D14F3N3O4 (349.19716569200006)
(R )-5-(2-aminopropyl)-1-(3-benzyloxypropyl) indoline-7-carbonitrile
C22H27N3O (349.21540120000003)
3-(((TERT-BUTYLDIMETHYLSILYL)OXY)METHYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE
C18H32BNO3Si (349.22443920000006)
TERT-BUTYL (S)-4-(CBZ-AMINO)-5-METHYL-3-OXOHEXANOATE
1-[(TERT-BUTYL)OXYCARBONYL]-3-(4-METHOXYBENZYL)PIPERIDINE-3-CARBOXYLIC ACID
1-[Decanoyl(methyl)amino]-1-deoxy-D-glucitol
C17H35NO6 (349.24642500000004)
TERT-BUTYL (2-METHOXY-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)CARBAMATE
C18H28BNO5 (349.20604280000003)
6-([(tert-Butyldimethylsilyl)oxy]methyl)pyridine-3-boronic acid pinacol ester
C18H32BNO3Si (349.22443920000006)
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
Tetradecyldimethylethylammonium bromide
C18H40BrN (349.23439400000007)
2-piperidin-1-ylethyl 2,2-diphenylcyclopropane-1-carboxylate
1-tert-butyl 2-Methyl 2-(2-(benzylaMino)ethyl)azetidine-1,2-dicarboxylate
N-(1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl)acetamide
C21H35NO3 (349.26168000000007)
MENTHOLGLUCURONIC ACID AMMONIUM SALT
C16H31NO7 (349.21004159999995)
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
C19H22F3N3 (349.17657280000003)
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
2-(cyclohexylamino)-N-[(diphenylmethylene)amino]propanamide
C22H27N3O (349.21540120000003)
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
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
(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-(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
C19H28FN3S (349.19878600000004)
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
C19H31N3O3 (349.23652960000004)
2-(dimethylamino)-1-[(1S,5R)-7-[4-(3-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanone
C22H27N3O (349.21540120000003)
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
C19H31N3O3 (349.23652960000004)
(2S,3S)-8-(dimethylamino)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
C19H31N3O3 (349.23652960000004)
(2R,3R)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
C19H31N3O3 (349.23652960000004)
(1S,5R)-7-[4-(2-methylphenyl)phenyl]-N-propyl-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide
C22H27N3O (349.21540120000003)
(1R,5S)-7-[4-(4-methylphenyl)phenyl]-N-propyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
C22H27N3O (349.21540120000003)
(2R,3R)-8-(dimethylamino)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
C19H31N3O3 (349.23652960000004)
(2S,3R)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
C19H31N3O3 (349.23652960000004)
(2R,3S)-8-(dimethylamino)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
C19H31N3O3 (349.23652960000004)
(2R,3R)-10-(dimethylamino)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
C19H31N3O3 (349.23652960000004)
(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
C19H31N3O3 (349.23652960000004)
(2R,3R)-8-(dimethylamino)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
C19H31N3O3 (349.23652960000004)
(2S,3R)-8-(dimethylamino)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
C19H31N3O3 (349.23652960000004)
(2R,3S)-8-(dimethylamino)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
C19H31N3O3 (349.23652960000004)
(2R,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
C19H31N3O3 (349.23652960000004)
(2S,3R)-8-(dimethylamino)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
C19H31N3O3 (349.23652960000004)
(2S,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
C19H31N3O3 (349.23652960000004)
(2S,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
C19H31N3O3 (349.23652960000004)
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
C22H29Si2 (349.18076940000003)
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
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.
Reutericyclin
C20H31NO4 (349.22529660000004)
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
C22H27N3O (349.21540120000003)
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
C22H27N3O (349.21540120000003)
(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
C20H31NO4 (349.22529660000004)
5-hydroxy-4-(5-hydroxyhex-2-en-1-yl)-4-(2-methyl-6-oxooxan-4-yl)-2-(propan-2-ylidene)pyrrol-3-one
(1r,2r,10s,11s,12s,13r,15r)-11-(acetyloxy)-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadecan-12-yl acetate
C20H31NO4 (349.22529660000004)
(5S,6S,15R)-15-Methyllycopodane-5,6-diol 5,6-diacetate
C20H31NO4 (349.22529660000004)
{"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
C20H31NO4 (349.22529660000004)
{"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"}
n-{5'-hydroxy-3-oxo-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-oxolan]-4-en-4'-yl}dec-2-enimidic acid
(2s,4ar,13cr)-2,5,5,7-tetramethyl-1h,3h,4h,4ah,13h,13ch-isochromeno[4,3-a]carbazol-2-ol
1-(3,7-dimethylocta-2,6-dien-1-yl)-3-methyl-9h-carbazole-2,7-diol
n-{4-hydroxy-2-[(undecyloxy)carbonyl]phenyl}ethanimidic acid
C20H31NO4 (349.22529660000004)
(1r,2r,10s,11r,13s,14r,15s)-14-(acetyloxy)-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadecan-11-yl acetate
C20H31NO4 (349.22529660000004)
(1s,13s,15s,17r)-12,12,17-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
C22H27N3O (349.21540120000003)
n-{2-hydroxy-5-[(undecyloxy)carbonyl]phenyl}ethanimidic acid
C20H31NO4 (349.22529660000004)
(2r,3s)-3-hydroxy-3-methyl-1-[(2r)-2-methylbutyl]-2-[(2e,4r)-4-methylhex-2-en-2-yl]-5-propanoyl-2h-pyridin-4-one
C21H35NO3 (349.26168000000007)
(1s,2r,10r,11r,13r,14s,15r)-11-(acetyloxy)-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadecan-14-yl acetate
C20H31NO4 (349.22529660000004)
12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-14,20-dione
3-hydroxy-3-methyl-1-(2-methylbutyl)-2-(4-methylhex-2-en-2-yl)-5-propanoyl-2h-pyridin-4-one
C21H35NO3 (349.26168000000007)
[(3r,5s,7ar,11ar)-5-hexyl-7-oxo-decahydropyrrolo[2,1-j]quinolin-3-yl]methyl acetate
C21H35NO3 (349.26168000000007)
2-methyl-5-(7-oxoocta-1,3-dien-1-yl)-decahydroquinolin-3-yl 2-hydroxyacetate
C20H31NO4 (349.22529660000004)
2,5,5,7-tetramethyl-1h,3h,4h,4ah,13h,13ch-isochromeno[4,3-a]carbazol-2-ol
(1r,13r,15s,16s)-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
C22H27N3O (349.21540120000003)
(4s,8z,11s,12e)-11-hydroxy-4,8,12-trimethyl-13-(2-methyl-1,3-thiazol-4-yl)trideca-8,12-dien-3-one
(4r)-5-hydroxy-4-[(2e)-5-hydroxyhex-2-en-1-yl]-4-[(2r,4r)-2-methyl-6-oxooxan-4-yl]-2-(propan-2-ylidene)pyrrol-3-one
(1s,13s,15r,16s)-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
C22H27N3O (349.21540120000003)
(2s)-1-{[(3r,3as,5ar,6r,9as,9bs)-6-hydroxy-5a-methyl-9-methylidene-decahydronaphtho[1,2-b]furan-3-yl]methyl}pyrrolidine-2-carboxylic acid
C20H31NO4 (349.22529660000004)
5,6-dihydroxy-7-isopropyl-5,6-dimethyl-4-methylidene-3-oxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-1(15)-en-8-one
C20H31NO4 (349.22529660000004)
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
12-(acetyloxy)-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadecan-11-yl acetate
C20H31NO4 (349.22529660000004)
(4s)-5-hydroxy-4-[(2e)-5-hydroxyhex-2-en-1-yl]-4-[(2r,4s)-2-methyl-6-oxooxan-4-yl]-2-(propan-2-ylidene)pyrrol-3-one
{3-ethyl-8-hydroxy-9,10-dimethoxy-1h,2h,3h,4h,6h,7h,11bh-pyrido[2,1-a]isoquinolin-2-yl}acetic acid
(4s)-5-hydroxy-4-[(2z)-5-hydroxyhex-2-en-1-yl]-4-[(2r,4s)-2-methyl-6-oxooxan-4-yl]-2-(propan-2-ylidene)pyrrol-3-one
(1s,4s,5r,9r,12r,13r,16r,17r)-17-(hydroxymethyl)-12-methyl-8-azapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadec-7-ene-7,9,17-triol
C20H31NO4 (349.22529660000004)
(2r,3s)-3-hydroxy-3-methyl-1-(3-methylbutyl)-2-[(2e,4s)-4-methylhex-2-en-2-yl]-5-propanoyl-2h-pyridin-4-one
C21H35NO3 (349.26168000000007)
{5-hexyl-7-oxo-decahydropyrrolo[2,1-j]quinolin-3-yl}methyl acetate
C21H35NO3 (349.26168000000007)
(2r,4ar,13cr)-2,5,5,7-tetramethyl-1h,3h,4h,4ah,13h,13ch-isochromeno[4,3-a]carbazol-2-ol
(2r,3s)-3-hydroxy-3-methyl-1-[(2s)-2-methylbutyl]-2-[(2e,4r)-4-methylhex-2-en-2-yl]-5-propanoyl-2h-pyridin-4-one
C21H35NO3 (349.26168000000007)
12,12,17-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
C22H27N3O (349.21540120000003)
15-hydroxy-1,16,16,20-tetramethyl-3-azapentacyclo[10.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]icosa-2(10),4,6,8,18-pentaen-17-one
3-hydroxy-3-methyl-1-(2-methylbutyl)-2-[(2e)-4-methylhex-2-en-2-yl]-5-propanoyl-2h-pyridin-4-one
C21H35NO3 (349.26168000000007)
3-hydroxy-3-methyl-1-(3-methylbutyl)-2-[(2e)-4-methylhex-2-en-2-yl]-5-propanoyl-2h-pyridin-4-one
C21H35NO3 (349.26168000000007)
n-(4-hydroxy-2-{[(9-methyldecyl)oxy]carbonyl}phenyl)ethanimidic acid
C20H31NO4 (349.22529660000004)
14-(acetyloxy)-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadecan-11-yl acetate
C20H31NO4 (349.22529660000004)
3-acetyl-1-(dec-2-enoyl)-4-hydroxy-5-(2-methylpropyl)-5h-pyrrol-2-one
C20H31NO4 (349.22529660000004)
(2s,3s,4as,5s,8ar)-2-methyl-5-[(1e,3e)-7-oxoocta-1,3-dien-1-yl]-decahydroquinolin-3-yl 2-hydroxyacetate
C20H31NO4 (349.22529660000004)
(13r,16s)-12,12,16-trimethyl-10,19,22-triazahexacyclo[13.5.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]docosa-3(11),4,6,8,21-pentaen-21-ol
C22H27N3O (349.21540120000003)
1-(3,7-dimethylocta-2,6-dien-1-yl)-6-methyl-9h-carbazole-2,7-diol
3-hydroxy-3-methyl-1-(3-methylbutyl)-2-(4-methylhex-2-en-2-yl)-5-propanoyl-2h-pyridin-4-one
C21H35NO3 (349.26168000000007)
(2s)-2-(dimethylamino)-n-[2-(1h-indol-3-yl)-2-oxoethyl]-3-phenylpropanimidic acid
(2e)-n-[(1s,2s,4's,5'r,6s)-5'-hydroxy-3-oxo-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-oxolan]-4-en-4'-yl]dec-2-enimidic acid
[(2r,3r,11bs)-3-ethyl-8-hydroxy-9,10-dimethoxy-1h,2h,3h,4h,6h,7h,11bh-pyrido[2,1-a]isoquinolin-2-yl]acetic acid
(1s,4r,5r,9r,12r,13r,16r,17r)-17-(hydroxymethyl)-12-methyl-8-azapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadec-7-ene-7,9,17-triol
C20H31NO4 (349.22529660000004)
1-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3-methyl-9h-carbazole-2,7-diol
(2s,3r)-3-hydroxy-3-methyl-1-(3-methylbutyl)-2-[(2e,4r)-4-methylhex-2-en-2-yl]-5-propanoyl-2h-pyridin-4-one
C21H35NO3 (349.26168000000007)