Exact Mass: 394.1198512
Exact Mass Matches: 394.1198512
Found 178 metabolites which its exact mass value is equals to given mass value 394.1198512,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Aloesin
2-acetonyl-7-hydroxy-5-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
Aloesin is a member of chromones. Aloesin is a natural product found in Aloe africana, Aloe castanea, and other organisms with data available.
9-Bromo-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione
9-Bromo-17beta-hydroxy-17-methyl-androst-4-ene-3,11-dione
6-Hydroxymusizin 8-O-b-D-glucopyranoside
1-(1,6-dihydroxy-3-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)ethan-1-one
6-Hydroxymusizin 8-O-b-D-glucopyranoside is found in green vegetables. 6-Hydroxymusizin 8-O-b-D-glucopyranoside is isolated from the rhubarb Rhei rhizom
Aloesone 7-O-glucoside
5-methyl-2-(2-oxopropyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
Aloesone 7-O-glucoside belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-fructose, and L-rhamnose. Aloesone 7-O-glucoside is found in green vegetables. Aloesone 7-O-glucoside is a constituent of Chinese rhubarb (Rheum sp.). Constituent of Chinese rhubarb (Rheum species). 2-Oxoaloesol 7-glucoside is found in green vegetables.
2-(2-Chlorophenyl)-4-(3-(dimethylamino)phenyl)-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
2-(2-chlorophenyl)-4-[3-(dimethylamino)phenyl]-5-methyl-1H,2H,3H,5H,6H-pyrazolo[4,3-c]pyridine-3,6-dione
C471 - Enzyme Inhibitor Setanaxib (GKT137831) is a selective NADPH oxidase (NOX1/4) inhibitor with Kis of 140 and 110 nM, respectively.
2-(7-Chloro-5-methyl-4-oxo-3-phenyl-4,5-dihydro-3H-pyridazino[4,5-b]indol-1-yl)-N,N-dimethylacetamide
2-(7-CHLORO-5-METHYL-4-OXO-3-PHENYL-4,5-DIHYDRO-3H-PYRIDAZINO[4,5-B]INDOL-1-YL)-N,N-DIMETHYLACETAMIDE
Aloeresin B
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
6-Chloro-5-methyl-1-((2-(2-methylpyrid-3-yloxy)pyrid-5-yl)carbamoyl)indoline
6-Chloro-5-methyl-N-{6-[(2-methylpyridin-3-yl)oxy]pyridin-3-yl}-2,3-dihydro-1H-indole-1-carboximidate
6-Hydroxymusizin 8-O-glucoside
1-(1,6-dihydroxy-3-methyl-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)ethan-1-one
6-hydroxymusizin 8-o-glucoside is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. 6-hydroxymusizin 8-o-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 6-hydroxymusizin 8-o-glucoside can be found in garden rhubarb, which makes 6-hydroxymusizin 8-o-glucoside a potential biomarker for the consumption of this food product.
Trifloxystrobin CGA 321113
Trifloxystrobin CGA 321113
CONFIDENCE standard compound; INTERNAL_ID 2596
5-Acetonyl-6-glucosy-7-hydroxy-2-methyl-4H-1-benzopyran-4-one
5-Acetonyl-6-glucosy-7-hydroxy-2-methyl-4H-1-benzopyran-4-one
5,4,8-trihydroxy-3,3-dimethoxy-8-chloromethylene-7,9-epoxylignan
5,4,8-trihydroxy-3,3-dimethoxy-8-chloromethylene-7,9-epoxylignan
(+)-(7S,8S)-4-hydroxy-3,3,5-trimethoxy-7,8,9-trinor-8,4-oxyneolignan-7,9-diol-7-oic acid|4-((1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yloxy)-3,5-dimethoxybenzoic acid
(+)-(7S,8S)-4-hydroxy-3,3,5-trimethoxy-7,8,9-trinor-8,4-oxyneolignan-7,9-diol-7-oic acid|4-((1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yloxy)-3,5-dimethoxybenzoic acid
7-[4-(4-Hydroxy-4-methyl-5-oxotetrahydrofuran-2-yl)-2,3-dihydroxy-3-methylbutoxy]-8-hydroxy-2H-1-benzopyran-2-one
7-[4-(4-Hydroxy-4-methyl-5-oxotetrahydrofuran-2-yl)-2,3-dihydroxy-3-methylbutoxy]-8-hydroxy-2H-1-benzopyran-2-one
(3S,4R)-4,8,2??5?-tetrahydroxy-6,7,3?,4?-tetramethoxyisoflavan|abruquinone H
(3S,4R)-4,8,2??5?-tetrahydroxy-6,7,3?,4?-tetramethoxyisoflavan|abruquinone H
5-acetonyl-2-methylchromone-7-O-beta-O-glucopyranoside|5-acetonyl-7-beta-D-glucopyranosyloxy-2-methylchromone
5-acetonyl-2-methylchromone-7-O-beta-O-glucopyranoside|5-acetonyl-7-beta-D-glucopyranosyloxy-2-methylchromone
SB 242084
6-chloro-2,3-dihydro-5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-1H-indole-1-carboxamide, dihydrochloride
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
NCGC00180407-02!7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one [IIN-based on: CCMSLIB00000848089]
NCGC00180407-02!7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one [IIN-based on: CCMSLIB00000848089]
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one [IIN-based: Match]
NCGC00180407-02!7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one [IIN-based: Match]
Ala Cys Asp Ser
(3S)-3-[(2R)-2-[(2S)-2-aminopropanamido]-3-sulfanylpropanamido]-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propanoic acid
Ala Cys Ser Asp
(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-aminopropanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]butanedioic acid
Ala Asp Cys Ser
(3S)-3-[(2S)-2-aminopropanamido]-3-{[(1R)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid
Ala Asp Ser Cys
(3S)-3-[(2S)-2-aminopropanamido]-3-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid
Ala Ser Cys Asp
(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]butanedioic acid
Ala Ser Asp Cys
(3S)-3-[(2S)-2-[(2S)-2-aminopropanamido]-3-hydroxypropanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid
Cys Ala Asp Ser
(3S)-3-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]propanamido]-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propanoic acid
Cys Ala Ser Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]propanamido]-3-hydroxypropanamido]butanedioic acid
Cys Asp Ala Ser
(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}propanoic acid
Cys Asp Gly Thr
(2S,3R)-2-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]acetamido}-3-hydroxybutanoic acid
Cys Asp Ser Ala
(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-3-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid
Cys Asp Thr Gly
(3S)-3-[(2R)-2-amino-3-sulfanylpropanamido]-3-{[(1S,2R)-1-[(carboxymethyl)carbamoyl]-2-hydroxypropyl]carbamoyl}propanoic acid
Cys Glu Gly Ser
(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-[({[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]butanoic acid
Cys Glu Ser Gly
(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-hydroxyethyl]carbamoyl}butanoic acid
Cys Gly Asp Thr
(2S,3R)-2-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-3-carboxypropanamido]-3-hydroxybutanoic acid
Cys Gly Glu Ser
(4S)-4-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid
Cys Gly Ser Glu
(2S)-2-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-3-hydroxypropanamido]pentanedioic acid
Cys Gly Thr Asp
(2S)-2-[(2S,3R)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-3-hydroxybutanamido]butanedioic acid
Cys Ser Ala Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]propanamido]butanedioic acid
Cys Ser Asp Ala
(3S)-3-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-{[(1S)-1-carboxyethyl]carbamoyl}propanoic acid
Cys Ser Glu Gly
(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-4-[(carboxymethyl)carbamoyl]butanoic acid
Cys Ser Gly Glu
(2S)-2-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]acetamido}pentanedioic acid
Cys Thr Asp Gly
(3S)-3-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-[(carboxymethyl)carbamoyl]propanoic acid
Cys Thr Gly Asp
(2S)-2-{2-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]acetamido}butanedioic acid
Asp Ala Cys Ser
(3S)-3-amino-3-{[(1S)-1-{[(1R)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}propanoic acid
Asp Ala Ser Cys
(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}propanoic acid
Asp Cys Ala Ser
(3S)-3-amino-3-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid
Asp Cys Gly Thr
(2S,3R)-2-{2-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]acetamido}-3-hydroxybutanoic acid
Asp Cys Ser Ala
(3S)-3-amino-3-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid
Asp Cys Thr Gly
(3S)-3-amino-3-{[(1R)-1-{[(1S,2R)-1-[(carboxymethyl)carbamoyl]-2-hydroxypropyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid
Asp Gly Cys Thr
(2S,3R)-2-[(2R)-2-{2-[(2S)-2-amino-3-carboxypropanamido]acetamido}-3-sulfanylpropanamido]-3-hydroxybutanoic acid
Asp Gly Thr Cys
(3S)-3-amino-3-[({[(1S,2R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}methyl)carbamoyl]propanoic acid
Asp Ser Ala Cys
(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid
Asp Ser Cys Ala
(3S)-3-amino-3-{[(1S)-1-{[(1R)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid
Asp Thr Cys Gly
(3S)-3-amino-3-{[(1S,2R)-1-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanoic acid
Asp Thr Gly Cys
(3S)-3-amino-3-{[(1S,2R)-1-[({[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}methyl)carbamoyl]-2-hydroxypropyl]carbamoyl}propanoic acid
Glu Cys Gly Ser
(4S)-4-amino-4-{[(1R)-1-[({[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]-2-sulfanylethyl]carbamoyl}butanoic acid
Glu Cys Ser Gly
(4S)-4-amino-4-{[(1R)-1-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-hydroxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid
Glu Gly Cys Ser
(4S)-4-amino-4-[({[(1R)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}methyl)carbamoyl]butanoic acid
Glu Gly Ser Cys
(4S)-4-amino-4-[({[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]butanoic acid
Glu Ser Cys Gly
(4S)-4-amino-4-{[(1S)-1-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butanoic acid
Glu Ser Gly Cys
(4S)-4-amino-4-{[(1S)-1-[({[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}methyl)carbamoyl]-2-hydroxyethyl]carbamoyl}butanoic acid
Gly Cys Asp Thr
(2S,3R)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-carboxypropanamido]-3-hydroxybutanoic acid
Gly Cys Glu Ser
(4S)-4-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}butanoic acid
Gly Cys Ser Glu
(2S)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-hydroxypropanamido]pentanedioic acid
Gly Cys Thr Asp
(2S)-2-[(2S,3R)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-hydroxybutanamido]butanedioic acid
Gly Asp Cys Thr
(2S,3R)-2-[(2R)-2-[(2S)-2-(2-aminoacetamido)-3-carboxypropanamido]-3-sulfanylpropanamido]-3-hydroxybutanoic acid
Gly Asp Thr Cys
(3S)-3-(2-aminoacetamido)-3-{[(1S,2R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propanoic acid
Gly Glu Cys Ser
(4S)-4-(2-aminoacetamido)-4-{[(1R)-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid
Gly Glu Ser Cys
(4S)-4-(2-aminoacetamido)-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}butanoic acid
Gly Ser Cys Glu
(2S)-2-[(2R)-2-[(2S)-2-(2-aminoacetamido)-3-hydroxypropanamido]-3-sulfanylpropanamido]pentanedioic acid
Gly Ser Glu Cys
(4S)-4-[(2S)-2-(2-aminoacetamido)-3-hydroxypropanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid
Gly Thr Cys Asp
(2S)-2-[(2R)-2-[(2S,3R)-2-(2-aminoacetamido)-3-hydroxybutanamido]-3-sulfanylpropanamido]butanedioic acid
Gly Thr Asp Cys
(3S)-3-[(2S,3R)-2-(2-aminoacetamido)-3-hydroxybutanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid
Ser Ala Cys Asp
(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]propanamido]-3-sulfanylpropanamido]butanedioic acid
Ser Ala Asp Cys
(3S)-3-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]propanamido]-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid
Ser Cys Ala Asp
(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]propanamido]butanedioic acid
Ser Cys Asp Ala
(3S)-3-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-{[(1S)-1-carboxyethyl]carbamoyl}propanoic acid
Ser Cys Glu Gly
(4S)-4-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-4-[(carboxymethyl)carbamoyl]butanoic acid
Ser Cys Gly Glu
(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]acetamido}pentanedioic acid
Ser Asp Ala Cys
(3S)-3-[(2S)-2-amino-3-hydroxypropanamido]-3-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}propanoic acid
Ser Asp Cys Ala
(3S)-3-[(2S)-2-amino-3-hydroxypropanamido]-3-{[(1R)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}propanoic acid
Ser Glu Cys Gly
(4S)-4-[(2S)-2-amino-3-hydroxypropanamido]-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl]carbamoyl}butanoic acid
Ser Glu Gly Cys
(4S)-4-[(2S)-2-amino-3-hydroxypropanamido]-4-[({[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}methyl)carbamoyl]butanoic acid
Ser Gly Cys Glu
(2S)-2-[(2R)-2-{2-[(2S)-2-amino-3-hydroxypropanamido]acetamido}-3-sulfanylpropanamido]pentanedioic acid
Ser Gly Glu Cys
(4S)-4-{2-[(2S)-2-amino-3-hydroxypropanamido]acetamido}-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid
Thr Cys Asp Gly
(3S)-3-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-[(carboxymethyl)carbamoyl]propanoic acid
Thr Cys Gly Asp
(2S)-2-{2-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]acetamido}butanedioic acid
Thr Asp Cys Gly
(3S)-3-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-sulfanylethyl]carbamoyl}propanoic acid
Thr Asp Gly Cys
(3S)-3-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-[({[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}methyl)carbamoyl]propanoic acid
Thr Gly Cys Asp
(2S)-2-[(2R)-2-{2-[(2S,3R)-2-amino-3-hydroxybutanamido]acetamido}-3-sulfanylpropanamido]butanedioic acid
Thr Gly Asp Cys
(3S)-3-{2-[(2S,3R)-2-amino-3-hydroxybutanamido]acetamido}-3-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propanoic acid
MUSIZIN GLUCOSIDE, 6-HYDROXY
1-(1,6-dihydroxy-3-methyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalen-2-yl)ethan-1-one
10-Iodostearyl carnitine
5-methyl-2-(2-oxopropyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
Ethyl2-(4-(4-(2-bromo-2-methylpropanoyl)phenyl)cyclohexyl)acetate
Ethyl2-(4-(4-(2-bromo-2-methylpropanoyl)phenyl)cyclohexyl)acetate
3-[ethyl[3-methyl-4-[(6-nitrobenzothiazol-2-yl)azo]phenyl]amino]propiononitrile
3-[ethyl[3-methyl-4-[(6-nitrobenzothiazol-2-yl)azo]phenyl]amino]propiononitrile
[1,1,4,1',4',1'-Quaterphenyl]-4,4-dicarbonaldehyde
[1,1,4,1",4",1"-Quaterphenyl]-4,4-dicarbonaldehyde
1-(1-(2-(4-CHLOROPHENYL)-2-OXOETHYL)PIPERIDIN-4-YL)-2-OXO-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOLE-5-CARBONITRILE
1-(1-(2-(4-CHLOROPHENYL)-2-OXOETHYL)PIPERIDIN-4-YL)-2-OXO-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOLE-5-CARBONITRILE
Trifloxystrobin acid
(E,E)-methoxyimino-[2-[1-(3-trifluoromethylphenyl)-ethylideneaminooxymethyl]-phenyl]acetic acid
SB-242084
6-Chloro-5-methyl-1-((2-(2-methylpyrid-3-yloxy)pyrid-5-yl)carbamoyl)indoline
SB 242084 is a selective, competitive and high-affinity (pKi=9.0) 5-HT2C receptor antagonist (crosses the blood-brain barrier). SB 242084 increases basal activity of dopaminergic neurons in the ventral tegmental area (VTA) of the midbrain and dopamine release in the vomeronasal nucleus. SB 242084 also increases mitochondrial gene expression and oxidative metabolism via 5-HT2A receptor. SB 242084 has good research potential in the negative symptoms of anxiety, depression and schizophrenia, as well as in acute organ damage[1][2][3].
6-[(2R,5R)-2-methyl-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
6-[(2R,5R)-2-methyl-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-5-(2-(methylamino)ethyl)-, monohydrochloride
1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-5-(2-(methylamino)ethyl)-, monohydrochloride
N-{5-acetyl-6-[2-(dimethylamino)vinyl]-2-oxo-2H-pyran-3-yl}-3-(trifluoromethyl)benzenecarboxamide
N-{5-acetyl-6-[2-(dimethylamino)vinyl]-2-oxo-2H-pyran-3-yl}-3-(trifluoromethyl)benzenecarboxamide
3-(4-Methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1-phenyl-1-propanone
3-(4-Methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1-phenyl-1-propanone
C23H22O4S (394.12387320000005)
3-(Benzenesulfonyl)-2-imino-1-propyl-5-dipyrido[1,2-d:3,4-f]pyrimidinone
3-(Benzenesulfonyl)-2-imino-1-propyl-5-dipyrido[1,2-d:3,4-f]pyrimidinone
C20H18N4O3S (394.10995579999997)
9-Bromo-17beta-hydroxy-17-methyl-androst-4-ene-3,11-dione
9-Bromo-17beta-hydroxy-17-methyl-androst-4-ene-3,11-dione
NSC 362402
1-[1,6-dihydroxy-3-methyl-8-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-naphthyl]ethanone
Novobiocic acid(1-)
Novobiocic acid(1-)
C22H20NO6- (394.12905600000005)
An organic anion obtained by selective deprotonation of the 4-hydroxy group on the chromene ring of novobiocic acid.
(19S)-19-ethyl-12,19-dihydroxy-8-methoxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
(19S)-19-ethyl-12,19-dihydroxy-8-methoxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
3,4,5-trimethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
3,4,5-trimethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
(+)-(7S,8S)-4-hydroxy-3,3,5-trimethoxy-8,9-dinor-8,4-oxyneolignan-7,9-diol-7-oic acid
(+)-(7S,8S)-4-hydroxy-3,3,5-trimethoxy-8,9-dinor-8,4-oxyneolignan-7,9-diol-7-oic acid
A neolignan isolated from the stems of Sinocalamus affinis.
3-[[[1,3-Dioxo-2-(2-oxolanylmethyl)-5-isoindolyl]-oxomethyl]amino]benzoic acid
3-[[[1,3-Dioxo-2-(2-oxolanylmethyl)-5-isoindolyl]-oxomethyl]amino]benzoic acid
2-Hydroxy-benzoic acid N-[2,4,6-trioxo-1-phenethyl-tetrahydro-pyrimidin-(5E)-ylidenemethyl]-hydrazide
2-Hydroxy-benzoic acid N-[2,4,6-trioxo-1-phenethyl-tetrahydro-pyrimidin-(5E)-ylidenemethyl]-hydrazide
2-[[5-(dimethylsulfamoyl)-1H-indol-3-yl]methylidene]propanedioic acid diethyl ester
2-[[5-(dimethylsulfamoyl)-1H-indol-3-yl]methylidene]propanedioic acid diethyl ester
N-[3-(2-furanylmethylamino)-2-quinoxalinyl]-3-methylbenzenesulfonamide
N-[3-(2-furanylmethylamino)-2-quinoxalinyl]-3-methylbenzenesulfonamide
C20H18N4O3S (394.10995579999997)
N-{(E)-[1-(4-methoxybenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}benzohydrazide
N-{(E)-[1-(4-methoxybenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}benzohydrazide
5-[4-[(2-Methyl-4-thiazolyl)methylamino]-6-quinazolinyl]-2-furancarboxylic acid ethyl ester
5-[4-[(2-Methyl-4-thiazolyl)methylamino]-6-quinazolinyl]-2-furancarboxylic acid ethyl ester
C20H18N4O3S (394.10995579999997)
7-benzyl-1,3-dimethyl-8-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-1,3-dimethyl-8-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
(2R)-2-(4-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide
(2R)-2-(4-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
BNC375
BNC375
BNC375 is a potent, selective, and orally available type I positive allosteric modulator of α7 nAChRs with an EC50 of 1.9 μM. BNC375 exhibits good CNS-agent like properties and clinical candidate potential. [1].
(1s,2r,4s,5r,10s,11s,13r,14s,15r,18r)-5-[(2s)-1,2-dihydroxypropan-2-yl]-14-hydroxy-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹¹,¹³.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
(1s,2r,4s,5r,10s,11s,13r,14s,15r,18r)-5-[(2s)-1,2-dihydroxypropan-2-yl]-14-hydroxy-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹¹,¹³.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
(2s,4r,7r,8r,9s,12r)-7,8,11-trihydroxy-12-(hydroxymethyl)-2,9-dimethyl-2-[(2r)-3-methyl-5-oxo-2h-furan-2-yl]-5-oxatricyclo[6.3.1.0⁴,¹²]dodec-1(11)-ene-6,10-dione
(2s,4r,7r,8r,9s,12r)-7,8,11-trihydroxy-12-(hydroxymethyl)-2,9-dimethyl-2-[(2r)-3-methyl-5-oxo-2h-furan-2-yl]-5-oxatricyclo[6.3.1.0⁴,¹²]dodec-1(11)-ene-6,10-dione
3'-(acetyloxy)-8-hydroxy-6',7-dimethyl-5,6-dioxo-1,4-dihydrospiro[2-benzopyran-3,2'-oxan]-4-yl acetate
3'-(acetyloxy)-8-hydroxy-6',7-dimethyl-5,6-dioxo-1,4-dihydrospiro[2-benzopyran-3,2'-oxan]-4-yl acetate
2-hydroxy-6,7-dimethoxy-4-(4-methoxyphenyl)-1-methylnaphtho[2,3-d]imidazole-5,8-dione
2-hydroxy-6,7-dimethoxy-4-(4-methoxyphenyl)-1-methylnaphtho[2,3-d]imidazole-5,8-dione
6-hydroxymusizin-8-o-β-d-glucoside
NA
{"Ingredient_id": "HBIN012460","Ingredient_name": "6-hydroxymusizin-8-o-\u03b2-d-glucoside","Alias": "NA","Ingredient_formula": "C19H22O9","Ingredient_Smile": "CC1=C(C(=C2C(=C1)C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)C(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15892","TCMID_id": "10533","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-(1,2-dihydroxypropan-2-yl)-14-hydroxy-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹¹,¹³.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
5-(1,2-dihydroxypropan-2-yl)-14-hydroxy-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹¹,¹³.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
8-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]-7-hydroxy-5-methyl-2-(2-oxopropyl)chromen-4-one
8-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]-7-hydroxy-5-methyl-2-(2-oxopropyl)chromen-4-one
(9z)-5,14-dihydroxy-16-methoxy-6,13,16-trimethyl-8,11,15-trioxo-3,7-dioxatricyclo[10.4.0.0²,⁴]hexadeca-9,12-diene-14-carbaldehyde
(9z)-5,14-dihydroxy-16-methoxy-6,13,16-trimethyl-8,11,15-trioxo-3,7-dioxatricyclo[10.4.0.0²,⁴]hexadeca-9,12-diene-14-carbaldehyde
2-(hydroxymethyl)-6-({5'-methoxy-[1,1'-biphenyl]-3,3'-diyl}oxy)oxane-3,4,5-triol
2-(hydroxymethyl)-6-({5'-methoxy-[1,1'-biphenyl]-3,3'-diyl}oxy)oxane-3,4,5-triol
(1s,2r,4s,5r,10s,11s,13r,14r,18r)-5-[(2r)-1,2-dihydroxypropan-2-yl]-14-hydroxy-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹¹,¹³.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
(1s,2r,4s,5r,10s,11s,13r,14r,18r)-5-[(2r)-1,2-dihydroxypropan-2-yl]-14-hydroxy-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹¹,¹³.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
3-(chloromethyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-hydroxy-5-methoxyphenyl)oxolan-3-ol
3-(chloromethyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-hydroxy-5-methoxyphenyl)oxolan-3-ol
12-[6-(methoxycarbonyl)-2h-1,3-benzodioxol-5-yl]-11-methyl-13-methylidene-4,6-dioxa-11-azatricyclo[7.5.0.0³,⁷]tetradeca-1,3(7),8,11-tetraen-11-ium
12-[6-(methoxycarbonyl)-2h-1,3-benzodioxol-5-yl]-11-methyl-13-methylidene-4,6-dioxa-11-azatricyclo[7.5.0.0³,⁷]tetradeca-1,3(7),8,11-tetraen-11-ium
[C22H20NO6]+ (394.12905600000005)
(4s)-2-({9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}amino)-4-[(1r)-1-hydroxyethyl]-4h-1,3-oxazol-5-one
(4s)-2-({9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}amino)-4-[(1r)-1-hydroxyethyl]-4h-1,3-oxazol-5-one
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[(2s,3r,4r,5s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[(2s,3r,4r,5s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
methyl 2-[(1r,3r,4s)-4,4a,9,10a-tetrahydroxy-5,10-dioxo-1-propyl-1h,3h,4h-naphtho[2,3-c]pyran-3-yl]acetate
methyl 2-[(1r,3r,4s)-4,4a,9,10a-tetrahydroxy-5,10-dioxo-1-propyl-1h,3h,4h-naphtho[2,3-c]pyran-3-yl]acetate
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-({5'-methoxy-[1,1'-biphenyl]-3,3'-diyl}oxy)oxane-3,4,5-triol
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-({5'-methoxy-[1,1'-biphenyl]-3,3'-diyl}oxy)oxane-3,4,5-triol
(1s,2r,4s,5r,10s,11s,13r,14r,15r,18r)-5-[(2r)-1,2-dihydroxypropan-2-yl]-14-hydroxy-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹¹,¹³.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
(1s,2r,4s,5r,10s,11s,13r,14r,15r,18r)-5-[(2r)-1,2-dihydroxypropan-2-yl]-14-hydroxy-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹¹,¹³.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
8-[(2r,3r,4r,5r)-5-[(1r)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]-7-hydroxy-5-methyl-2-(2-oxopropyl)chromen-4-one
8-[(2r,3r,4r,5r)-5-[(1r)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]-7-hydroxy-5-methyl-2-(2-oxopropyl)chromen-4-one
4-{[(1s,2s)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxybenzoic acid
4-{[(1s,2s)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxybenzoic acid
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
5,14-dihydroxy-16-methoxy-6,13,16-trimethyl-8,11,15-trioxo-3,7-dioxatricyclo[10.4.0.0²,⁴]hexadeca-9,12-diene-14-carbaldehyde
5,14-dihydroxy-16-methoxy-6,13,16-trimethyl-8,11,15-trioxo-3,7-dioxatricyclo[10.4.0.0²,⁴]hexadeca-9,12-diene-14-carbaldehyde
(1r,2r,3s,5r,8r,9r,11r,12r)-8,9,11,12-tetrahydroxy-3-methyl-3-[(2r)-3-methyl-5-oxo-2h-furan-2-yl]-10-methylidene-6,13-dioxatetracyclo[7.5.0.0¹,⁵.0²,¹²]tetradecan-7-one
(1r,2r,3s,5r,8r,9r,11r,12r)-8,9,11,12-tetrahydroxy-3-methyl-3-[(2r)-3-methyl-5-oxo-2h-furan-2-yl]-10-methylidene-6,13-dioxatetracyclo[7.5.0.0¹,⁵.0²,¹²]tetradecan-7-one
methyl (1r,4as,9s,9as)-9-[2-(3,4-dihydroxyphenyl)ethoxy]-1-hydroxy-6-oxo-1h,4ah,5h,8h,9h,9ah-pyrano[3,4-d]oxepine-4-carboxylate
methyl (1r,4as,9s,9as)-9-[2-(3,4-dihydroxyphenyl)ethoxy]-1-hydroxy-6-oxo-1h,4ah,5h,8h,9h,9ah-pyrano[3,4-d]oxepine-4-carboxylate
13-[6-(methoxycarbonyl)-2h-1,3-benzodioxol-5-yl]-12-methyl-14-methylidene-3,5-dioxa-12-azatricyclo[7.5.0.0²,⁶]tetradeca-1,6,8,12-tetraen-12-ium
13-[6-(methoxycarbonyl)-2h-1,3-benzodioxol-5-yl]-12-methyl-14-methylidene-3,5-dioxa-12-azatricyclo[7.5.0.0²,⁶]tetradeca-1,6,8,12-tetraen-12-ium
[C22H20NO6]+ (394.12905600000005)
(2s,4r,7r,8r,9r,12r)-7,8,11-trihydroxy-12-(hydroxymethyl)-2,9-dimethyl-2-[(2r)-3-methyl-5-oxo-2h-furan-2-yl]-5-oxatricyclo[6.3.1.0⁴,¹²]dodec-1(11)-ene-6,10-dione
(2s,4r,7r,8r,9r,12r)-7,8,11-trihydroxy-12-(hydroxymethyl)-2,9-dimethyl-2-[(2r)-3-methyl-5-oxo-2h-furan-2-yl]-5-oxatricyclo[6.3.1.0⁴,¹²]dodec-1(11)-ene-6,10-dione
(1s,2r,4s,5r,10s,11s,13r,14r,15r,18r)-5-[(2s)-1,2-dihydroxypropan-2-yl]-14-hydroxy-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹¹,¹³.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
(1s,2r,4s,5r,10s,11s,13r,14r,15r,18r)-5-[(2s)-1,2-dihydroxypropan-2-yl]-14-hydroxy-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹¹,¹³.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
7-hydroxy-2-methyl-5-(2-oxopropyl)-6-[(3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
7-hydroxy-2-methyl-5-(2-oxopropyl)-6-[(3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
(2s,3s,4s)-3-(chloromethyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-hydroxy-5-methoxyphenyl)oxolan-3-ol
(2s,3s,4s)-3-(chloromethyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-hydroxy-5-methoxyphenyl)oxolan-3-ol
(3s,3's,6's)-4-(acetyloxy)-8-hydroxy-6',7-dimethyl-5,6-dioxo-1,4-dihydrospiro[2-benzopyran-3,2'-oxan]-3'-yl acetate
(3s,3's,6's)-4-(acetyloxy)-8-hydroxy-6',7-dimethyl-5,6-dioxo-1,4-dihydrospiro[2-benzopyran-3,2'-oxan]-3'-yl acetate