Exact Mass: 381.1609852
Exact Mass Matches: 381.1609852
Found 214 metabolites which its exact mass value is equals to given mass value 381.1609852,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Benthiavalicarb isopropyl
C18H24FN3O3S (381.15223260000005)
D016573 - Agrochemicals D010575 - Pesticides
cis-Zeatin-7-N-glucoside
Cis-zeatin-7-N-glucoside is an intermediate in cytokinins 7-N-glucoside biosynthesis. It is generated from cis-zeatin via the enzyme UDP glycosyltransferase.Several types of cytokinins conjugation exist which render cytokinins inactive: O-xylosylation, O-glucosylation, and N-glucosylation. When plants are subjected to high levels of cytokinin application, the major conjugate that forms is the 7-N-glucoside. Moreover, unlike O-glucosides, the glucosylation of which is reversible through the action of glucosidases, 7-N- and 9-N-glucosides are resistant to glucosidases. This, taken with N-glucosides accumulation in plant subjected to high doses of cytokinins, has led to the suggestion that N-glucosylation is involved in detoxification. [HMDB] cis-Zeatin-7-N-glucoside is an intermediate in cytokinins 7-N-glucoside biosynthesis. It is generated from cis-zeatin via the enzyme UDP glycosyltransferase. Several types of cytokinins conjugation exist which render cytokinins inactive: O-xylosylation, O-glucosylation, and N-glucosylation. When plants are subjected to high levels of cytokinin application, the major conjugate that forms is the 7-N-glucoside. Moreover, unlike O-glucosides, the glucosylation of which is reversible through the action of glucosidases, 7-N- and 9-N-glucosides are resistant to glucosidases. This, taken with N-glucosides accumulation in plants subjected to high doses of cytokinins, has led to the suggestion that N-glucosylation is involved in detoxification. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins
Azelastine
Azelastine is only found in individuals that have used or taken this drug. It is a phthalazine derivative, and is an antihistamine and mast cell stabilizer available as a nasal spray for hay fever and as eye drops for allergic conjunctivitis.Azelastine competes with histamine for the H1-receptor sites on effector cells and acts as an antagonist by inhibiting the release of histamine and other mediators involved in the allergic response. R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AC - Antiallergic agents, excl. corticosteroids R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors CONFIDENCE standard compound; INTERNAL_ID 8508 CONFIDENCE standard compound; INTERNAL_ID 2734 D018926 - Anti-Allergic Agents
6-(4-O-beta-D-Glucosyl-3-methyl-trans-but-2-enyl-amino)-purine
6-(4-o-beta-d-glucosyl-3-methyl-trans-but-2-enyl-amino)-purine, also known as trans-zeatin-O-glucoside or O-beta-D-glucosylzeatin, is a member of the class of compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. 6-(4-o-beta-d-glucosyl-3-methyl-trans-but-2-enyl-amino)-purine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 6-(4-o-beta-d-glucosyl-3-methyl-trans-but-2-enyl-amino)-purine can be found in a number of food items such as yellow wax bean, common verbena, black elderberry, and sacred lotus, which makes 6-(4-o-beta-d-glucosyl-3-methyl-trans-but-2-enyl-amino)-purine a potential biomarker for the consumption of these food products.
cis-Zeatin O-glucoside
cis-Zeatin O-glucoside, also known as O-beta-D-glucosylzeatin, belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol, a phosphorylated alcohol (phosphoprenol), or a hydroxy fatty acid, or to one carboxyl group of a fatty acid (ester linkage) or an amino alcohol. cis-Zeatin O-glucoside is a very strong basic compound (based on its pKa). cis-Zeatin O-glucoside is an intermediate in zeatin biosynthesis. It is generated from cis-zeatin via the enzyme cis-zeatin O-beta-D-glucosyltransferase (EC 2.4.1.215).
cis-Zeatin-9-N-glucoside
Cis-zeatin-9-N-glucoside is an intermediate in cytokinins 9-N-glucoside biosynthesis. It is generated from cis-zeatin via the enzyme UDP glycosyltransferase.Glucosylation of cytokinins is a well recognized modification that is thought to play an important role in hormonal homeostasis. Several types of cytokinins conjugation exist which render cytokinins inactive: O-xylosylation, O-glucosylation, and N-glucosylation. [HMDB] cis-Zeatin-9-N-glucoside is an intermediate in cytokinins 9-N-glucoside biosynthesis. It is generated from cis-zeatin via the enzyme UDP glycosyltransferase. Glucosylation of cytokinins is a well-recognized modification that is thought to play an important role in hormonal homeostasis. Several types of cytokinins conjugation exist which render cytokinins inactive: O-xylosylation, O-glucosylation, and N-glucosylation.
(R)-Pantothenic acid 4'-O-b-D-glucoside
C15H27NO10 (381.16348819999996)
(R)-Pantothenic acid 4-O-b-D-glucoside is found in garden tomato. (R)-Pantothenic acid 4-O-b-D-glucoside is isolated from tomato juice. Isolated from tomato juice. (R)-Pantothenic acid 4-O-b-D-glucoside is found in garden tomato.
Raphanatin
Raphanatin is found in root vegetables. Raphanatin is produced by Raphanus sativus (radish
2-Hydroxy-4-carboxybutyrylhistidylprolinamide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Xaliproden
C24H22F3N (381.17042480000003)
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C26170 - Protective Agent > C1509 - Neuroprotective Agent N - Nervous system
(E)-Zeatin glucoside
(e)-zeatin glucoside is a member of the class of compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol (e)-zeatin glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). (e)-zeatin glucoside can be found in soy bean, which makes (e)-zeatin glucoside a potential biomarker for the consumption of this food product.
2,3,9,10-Tetramethoxy-13-methyl-5,6-dihydro-8H-dibenzo[a,g]quinolizine-8-one
C22H23NO5 (381.15761480000003)
torrubiellone C
C22H23NO5 (381.15761480000003)
A natural product found in Torrubiella species.
3alpha,7beta-dibenzoyloxy-6beta-hydroxy-tropane|alaternifoline
C22H23NO5 (381.15761480000003)
(S)-2-((S)-3-(1H-Imidazol-4-yl)-2-((S)-pyrrolidine-2-carboxamido)Propanamido)pentanedioic acid
benthiavalicarb-isopropyl
C18H24FN3O3S (381.15223260000005)
D016573 - Agrochemicals D010575 - Pesticides CONFIDENCE standard compound; EAWAG_UCHEM_ID 3055
Trans-Zeatin-9-glucoside
Acquisition and generation of the data is financially supported by the Max-Planck-Society
Trans-Zeatin-9-glucoside-[d5]
Acquisition and generation of the data is financially supported by the Max-Planck-Society
trans-Zeatin-O-glucoside
Acquisition and generation of the data is financially supported by the Max-Planck-Society
Trans-Zeatin-7-glucoside-[d5]
Acquisition and generation of the data is financially supported by the Max-Planck-Society
cis-Zeatin-9-glucoside
Acquisition and generation of the data is financially supported by the Max-Planck-Society
cis-Zeatin-O-glucoside
Acquisition and generation of the data is financially supported by the Max-Planck-Society
1,2,9,10-tetramethoxy-6-methyl-5,6-dihydro-4H-dibenzo[de,g]quinoline-7-carbaldehyde
C22H23NO5 (381.15761480000003)
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.273
azelastine
R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AC - Antiallergic agents, excl. corticosteroids R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D018926 - Anti-Allergic Agents
cis-Zeatin-7-N-glucoside
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins
Raphanatin
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins
(R)-Pantothenic acid 4'-O-b-D-glucoside
C15H27NO10 (381.16348819999996)
cis-Zeatin 9-glucoside
Ethyl N-Boc-4-(4-chlorobenzyl)piperidine-4-carboxylate
C20H28ClNO4 (381.1706758000001)
N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-3-(4-TRIFLUOROMETHYLPHENYL)PROPIONAMIDE
C20H22F3NO3 (381.15516980000007)
Urea, N-[(2-chloro-6,8-dimethyl-3-quinolinyl)methyl]-N-(1-methylethyl)-N-phenyl- (9CI)
2-benzhydryloxyethyl(trimethyl)azanium,methyl sulfate
4-Aminobenzo-18-crown-6 sesquihydrate hydrochloride
Ethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate
C20H22F3NO3 (381.15516980000007)
Bevantolol hydrochloride
C20H28ClNO4 (381.1706758000001)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists Bevantolol hydrochloride is a selective β1 and α1-adrenergic receptor antagonist with pKi values of 7.83, 6.9 in rat cerebral cortex, respectively. Bevantolol hydrochloride is a potent Ca2+ antagonist[1][2].
4-FMOC-3-(2-CARBOXY-ETHYL)-MORPHOLINE
C22H23NO5 (381.15761480000003)
1-Pyrrolidinecarboxylic acid, 2-[(carboxyMethoxy)Methyl]-, 1-(9H-fluoren-9-ylmethyl) ester, (2R)-
C22H23NO5 (381.15761480000003)
4-[(4-chlorophenyl)methyl]-2-[2-(1-methylpyrrolidin-2-yl)ethyl]phthalazin-1-one
LJH-685
LJH685 is a potent, ATP-competitive and selective RSK inhibitor, inhibits RSK1, 2, and 3 biochemical activities with IC50s of 6, 5, 4 nM, respectively[1].
Esmirtazapine maleate
C21H23N3O4 (381.16884780000004)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents 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 D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
2-[[2-(3,4-Dimethoxyphenyl)-6-methyl-1-benzopyran-4-ylidene]amino]butanoic acid
C22H23NO5 (381.15761480000003)
N-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide
8-(Diethylaminomethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-1-benzopyran-4-one
C22H23NO5 (381.15761480000003)
(E)-3-(Cyclopropylethynyl)-1-(3-(3,4,5-trimethoxyphenyl)acryloyl)-5,6-dihydropyridin-2(1H)-one
C22H23NO5 (381.15761480000003)
N-((2-Aminopyrimidin-5-Yl)methyl)-5-(2,6-Difluorophenyl)-3-Ethylpyrazolo[1,5-A]pyrimidin-7-Amine
[[(3r,4r,5s,6r)-3-(Butanoylamino)-4,5-Dihydroxy-6-(Hydroxymethyl)oxan-2-Ylidene]amino] N-Phenylcarbamate
[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}amino)phenyl]acetonitrile
[4-({4-[(5-Cyclopropyl-1h-Pyrazol-3-Yl)amino]quinazolin-2-Yl}imino)cyclohexa-2,5-Dien-1-Yl]acetonitrile
Xaliproden
C24H22F3N (381.17042480000003)
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C26170 - Protective Agent > C1509 - Neuroprotective Agent N - Nervous system
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2E)-2-methyl-4-[(7H-purin-6-yl)amino]but-2-en-1-yl]oxy}oxane-3,4,5-triol
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-7-yl]oxane-3,4,5-triol
N-cyclohexyl-2-[(8-methoxy-6-oxo-3-benzo[c][1]benzopyranyl)oxy]acetamide
C22H23NO5 (381.15761480000003)
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
C21H23N3O4 (381.16884780000004)
(5R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-5-butyl-4,5-dihydroimidazol-2-amine
C17H21F6N3 (381.16395780000005)
1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine
C21H23N3O4 (381.16884780000004)
2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(3-ethoxyphenyl)acetamide
N-[4-(4-acetyl-1-piperazinyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide
C21H23N3O4 (381.16884780000004)
2-[9-(4-methoxyphenyl)-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-10-yl]acetic acid
C22H23NO5 (381.15761480000003)
1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazine
C21H23N3O4 (381.16884780000004)
N-(3,5-dimethoxyphenyl)-2-(2,2-dimethyl-5-oxo-4-phenyl-1-imidazolyl)acetamide
C21H23N3O4 (381.16884780000004)
1-(3,4-Dimethoxyphenethylamino)-3-m-tolyloxy-propan-2-ol hydrochloride
C20H28ClNO4 (381.1706758000001)
2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide
C21H23N3O4 (381.16884780000004)
2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide
C21H23N3O4 (381.16884780000004)
2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(2-pyridin-3-ylacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide
C21H23N3O4 (381.16884780000004)
2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide
C21H23N3O4 (381.16884780000004)
2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide
C21H23N3O4 (381.16884780000004)
2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide
C21H23N3O4 (381.16884780000004)
(1R,2aS,8bS)-2-acetyl-1-(hydroxymethyl)-N-(2-methoxyphenyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
C21H23N3O4 (381.16884780000004)
(1S,2aS,8bS)-2-acetyl-1-(hydroxymethyl)-N-(2-methoxyphenyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
C21H23N3O4 (381.16884780000004)
(6R,7R,8R)-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-7-(4-pyridin-4-ylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C21H23N3O4 (381.16884780000004)
(6S,7S,8R)-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-7-(4-pyridin-4-ylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C21H23N3O4 (381.16884780000004)
2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide
C21H23N3O4 (381.16884780000004)
2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide
C21H23N3O4 (381.16884780000004)
(1S,2aR,8bR)-2-acetyl-1-(hydroxymethyl)-N-(2-methoxyphenyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
C21H23N3O4 (381.16884780000004)
(1R,2aR,8bR)-2-acetyl-1-(hydroxymethyl)-N-(2-methoxyphenyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
C21H23N3O4 (381.16884780000004)
(6S,7S,8S)-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-7-(4-pyridin-4-ylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C21H23N3O4 (381.16884780000004)
(6R,7R,8S)-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-7-(4-pyridin-4-ylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C21H23N3O4 (381.16884780000004)
1-(2-Hydroxypropyl)-5-(2-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione
C22H23NO5 (381.15761480000003)
(9R,10R)-10-hydroxy-9-methoxy-10-(4-methoxyphenyl)-2,2-dimethyl-7,9-dihydropyrano[2,3-f]quinolin-8-one
C22H23NO5 (381.15761480000003)
9-(beta-D-glucosyl)-cis-zeatin
An N-glycosylzeatin that is cis-zeatin having a beta-D-glucopyranosyl residue attached at position N-9.
(R)-Pantothenic acid 4-O-b-D-glucoside
C15H27NO10 (381.16348819999996)
9-(beta-D-glucosyl)-trans-zeatin
An N-glycosylzeatin that is trans-zeatin having a beta-D-glucopyranosyl residue attached at position N-9.
7-(beta-D-glucosyl)-cis-zeatin
An N-glycosylzeatin that is cis-zeatin having a beta-D-glucopyranosyl residue attached at position N-7.
4-(methoxycarbonyl)-7-methyl-1h,2h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyridin-6-yl 1-methyl-2,7-naphthyridine-4-carboxylate
C21H23N3O4 (381.16884780000004)
2-{6-[(4-hydroxy-3-methylbut-2-en-1-yl)amino]purin-9-yl}-6-(hydroxymethyl)oxane-3,4,5-triol
(3r)-3-[(2s,3as,5as,8s,9ar,9br)-8-chloro-3a,6,6,9a-tetramethyl-5-oxo-octahydronaphtho[2,1-b]furan-2-yl]-5-hydroxy-3,4-dihydropyrrol-2-one
C20H28ClNO4 (381.1706758000001)
1,2-dihydroxy-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
C21H23N3O4 (381.16884780000004)
(1s,12s,13r)-17,18-dimethoxy-21-methyl-20-methylidene-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-2,4(8),9,14(19),15,17-hexaen-12-ol
C22H23NO5 (381.15761480000003)
(3r)-3-[(1s)-2-[(1s,4ar,6s,8ar)-6-chloro-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1h-naphthalen-1-yl]-1-hydroxyethyl]-5-hydroxy-3,4-dihydropyrrol-2-one
C20H28ClNO4 (381.1706758000001)
(2r,3s,4r,5s,6r)-2-(6-{[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]amino}purin-7-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
6,11-dimethoxy-16-azapentacyclo[12.7.0.0²,⁷.0⁸,¹³.0¹⁶,²⁰]henicosa-1(14),2(7),3,5,8(13),9,11-heptaene-5,10,21-triol
C22H23NO5 (381.15761480000003)
2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one
C22H23NO5 (381.15761480000003)
{"Ingredient_id": "HBIN003941","Ingredient_name": "2,3,9,10-tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one","Alias": "NA","Ingredient_formula": "C22H23NO5","Ingredient_Smile": "NA","Ingredient_weight": "381.42","OB_score": "76.76796","CAS_id": "102421-42-1","SymMap_id": "SMIT06190","TCMID_id": "NA","TCMSP_id": "MOL004234","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2e)-2-methyl-4-(3h-purin-6-ylamino)but-2-en-1-yl]oxy}oxane-3,4,5-triol
2-(hydroxymethyl)-6-{[2-methyl-4-(3h-purin-6-ylamino)but-2-en-1-yl]oxy}oxane-3,4,5-triol
methyl (1s,9s,10s,11e,14s,15s)-11-ethylidene-17-hydroxy-18-oxa-8,13,16-triazahexacyclo[11.5.2.1¹⁰,¹⁴.0¹,¹⁵.0²,⁷.0⁸,¹⁵]henicosa-2,4,6,16-tetraene-9-carboxylate
C21H23N3O4 (381.16884780000004)
(1r,2s,12s,15s)-1,2-dihydroxy-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
C21H23N3O4 (381.16884780000004)
3'-hydroxy-12',12'-dimethyl-1h-1',7'-diazaspiro[indole-2,11'-tricyclo[7.5.0.0³,⁷]tetradecan]-13'-ene-2',3,8'-trione
C21H23N3O4 (381.16884780000004)
(1r,2s,3s,9r)-5-ethanimidoyl-1,4-dihydroxy-8,8,16-trimethyl-7,16-diazapentacyclo[9.6.1.0²,⁹.0³,⁷.0¹⁵,¹⁸]octadeca-4,11,13,15(18)-tetraene-6,17-dione
C21H23N3O4 (381.16884780000004)
3-[2-(6-chloro-5,5,8a-trimethyl-2-methylidene-4-oxo-hexahydronaphthalen-1-yl)-1-hydroxyethyl]-5-hydroxy-3,4-dihydropyrrol-2-one
C20H28ClNO4 (381.1706758000001)
(2s,3r,4r,5s,6s)-2-(hydroxymethyl)-6-{[(2z)-2-methyl-4-(3h-purin-6-ylamino)but-2-en-1-yl]oxy}oxane-3,4,5-triol
4-benzyl-3-[4-(2,3-dihydroxy-3-methylbutoxy)phenyl]-5-hydroxypyrrol-2-one
C22H23NO5 (381.15761480000003)
3,4,10,11-tetramethoxy-13-methyl-7,8-dihydro-6-azatetraphen-5-one
C22H23NO5 (381.15761480000003)
(2e,4e,6e)-1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-8-(hydroxymethyl)deca-2,4,6-trien-1-one
C22H23NO5 (381.15761480000003)
2-[(1e,3e,5e)-3,5-dimethyl-6-(4-nitrophenyl)hexa-1,3,5-trien-1-yl]-6-methoxy-3,5-dimethylpyran-4-one
C22H23NO5 (381.15761480000003)
3-[2-(7-chloro-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1h-naphthalen-1-yl)-1-hydroxyethyl]-5-hydroxy-3,4-dihydropyrrol-2-one
C20H28ClNO4 (381.1706758000001)
(2r,3r,4s,5s,6r)-2-[2-hydroxy-6-imino-3-(3-methylbut-2-en-1-yl)purin-7-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
(3r)-3-[(1s)-2-[(1s,4ar,6s,8ar)-6-chloro-5,5,8a-trimethyl-2-methylidene-4-oxo-hexahydronaphthalen-1-yl]-1-hydroxyethyl]-5-hydroxy-3,4-dihydropyrrol-2-one
C20H28ClNO4 (381.1706758000001)
3-methoxy-4-(4-methoxyphenyl)-6-(3-methylbuta-1,3-dien-1-yl)-3h-quinoline-2,4,5-triol
C22H23NO5 (381.15761480000003)
(3r)-3-[(1s)-2-[(1s,4as,7s,8ar)-7-chloro-5,5,8a-trimethyl-2-methylidene-4-oxo-hexahydronaphthalen-1-yl]-1-hydroxyethyl]-5-hydroxy-3,4-dihydropyrrol-2-one
C20H28ClNO4 (381.1706758000001)
1,8,8a-trihydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-6h,7h,8h-pyrrolo[1,2-a]pyrazin-4-one
C21H23N3O4 (381.16884780000004)
(1r,2r,4s,5r,7r,11s,12s,15s,23r)-4-amino-11-hydroxy-18-methoxy-6-oxa-8,16-diazaoctacyclo[10.10.1.0¹,¹⁵.0²,⁷.0⁴,¹⁵.0⁵,¹².0⁸,²³.0¹⁷,²²]tricosa-17(22),18,20-trien-3-one
C21H23N3O4 (381.16884780000004)
5-ethanimidoyl-1,4-dihydroxy-8,8,16-trimethyl-7,16-diazapentacyclo[9.6.1.0²,⁹.0³,⁷.0¹⁵,¹⁸]octadeca-4,11,13,15(18)-tetraene-6,17-dione
C21H23N3O4 (381.16884780000004)
(1r,2r,4r,5r,7r,11s,12s,15s,23r)-4-amino-11-hydroxy-18-methoxy-6-oxa-8,16-diazaoctacyclo[10.10.1.0¹,¹⁵.0²,⁷.0⁴,¹⁵.0⁵,¹².0⁸,²³.0¹⁷,²²]tricosa-17(22),18,20-trien-3-one
C21H23N3O4 (381.16884780000004)
(4as,6s,7r,7as)-4-(methoxycarbonyl)-7-methyl-1h,2h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyridin-6-yl 1-methyl-2,7-naphthyridine-4-carboxylate
C21H23N3O4 (381.16884780000004)
3-[2-(6-chloro-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1h-naphthalen-1-yl)-1-hydroxyethyl]-5-hydroxy-3,4-dihydropyrrol-2-one
C20H28ClNO4 (381.1706758000001)
2-{6-[(4-hydroxy-3-methylbut-2-en-1-yl)amino]purin-7-yl}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3'r,9's)-3'-hydroxy-12',12'-dimethyl-1h-1',7'-diazaspiro[indole-2,11'-tricyclo[7.5.0.0³,⁷]tetradecan]-13'-ene-2',3,8'-trione
C21H23N3O4 (381.16884780000004)
(3r,4r)-3-methoxy-4-(4-methoxyphenyl)-6-[(1e)-3-methylbuta-1,3-dien-1-yl]-3h-quinoline-2,4,5-triol
C22H23NO5 (381.15761480000003)
(3z)-1,8,8a-trihydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-6h,7h,8h-pyrrolo[1,2-a]pyrazin-4-one
C21H23N3O4 (381.16884780000004)
(3r)-3-[(1s)-2-[(1s,4as,7s,8ar)-7-chloro-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1h-naphthalen-1-yl]-1-hydroxyethyl]-5-hydroxy-3,4-dihydropyrrol-2-one
C20H28ClNO4 (381.1706758000001)
(20s,21s)-6,11-dimethoxy-16-azapentacyclo[12.7.0.0²,⁷.0⁸,¹³.0¹⁶,²⁰]henicosa-1(14),2(7),3,5,8(13),9,11-heptaene-5,10,21-triol
C22H23NO5 (381.15761480000003)
(2r,3r,4s,5s,6r)-2-(6-{[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]amino}purin-9-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-8-(hydroxymethyl)deca-2,4,6-trien-1-one
C22H23NO5 (381.15761480000003)