Exact Mass: 326.0502592
Exact Mass Matches: 326.0502592
Found 500 metabolites which its exact mass value is equals to given mass value 326.0502592,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
cis-Melilotoside
cis-Melilotoside, also known as cis-beta-D-glucosyl-2-hydroxycinnamate or cis-coumarinic acid-beta-D-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. cis-Melilotoside is an extremely weak basic (essentially neutral) compound (based on its pKa) and is a beta-D-glucoside consisting of cis-2-coumaric acid having a beta-D-glucosyl residue attached to the phenolic hydroxy group. cis-Melilotoside has been detected, but not quantified in, several different foods, such as globe artichokes, mentha (mint), Malabar spinach, plains prickly pears, and winter savouries. This could make cis-melilotoside a potential biomarker for the consumption of these foods. Cis-beta-d-glucosyl-2-hydroxycinnamate, also known as beta-D-glucosyl-2-coumarinic acid or cis-coumarinic acid-beta-D-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. Cis-beta-d-glucosyl-2-hydroxycinnamate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Cis-beta-d-glucosyl-2-hydroxycinnamate can be found in a number of food items such as banana, black-eyed pea, common hazelnut, and cherimoya, which makes cis-beta-d-glucosyl-2-hydroxycinnamate a potential biomarker for the consumption of these food products. 2-(beta-D-glucosyloxy)-cis-cinnamic acid is a beta-D-glucoside consisting of cis-2-coumaric acid having a beta-D-glucosyl residue attached to the phenolic hydroxy group. It is functionally related to a cis-2-coumaric acid. It is a conjugate acid of a 2-(beta-D-glucosyloxy)-cis-cinnamate. cis-coumarinic acid-beta-D-glucoside is a natural product found in Dendrobium and Homo sapiens with data available.
Melilotoside
Melilotoside, also known as trans-beta-D-glucosyl-2-hydroxycinnamic acid or beta-D-glucosyl-2-coumarate, 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. Melilotoside is an extremely weak basic (essentially neutral) compound (based on its pKa). Melilotoside is found in herbs and spices. Melilotoside has been isolated from Melilotus alba (white melilot), Melilotus altissimus (tall yellow sweet clover), and other plants. Trans-beta-D-glucosyl-2-hydroxycinnamic acid is a glucosyl hydroxycinnamic acid. It is a conjugate acid of a trans-beta-D-glucosyl-2-hydroxycinnamate. Melilotoside is a natural product found in Mikania laevigata, Serpocaulon triseriale, and other organisms with data available.
4-O-beta-Glucopyranosyl-cis-coumaric acid
4-O-beta-D-glucosyl-cis-p-coumaric acid is a 4-O-beta-D-glucosyl-4-coumaric acid. It is a conjugate acid of a 4-O-beta-D-glucosyl-cis-p-coumarate. 4-O-beta-D-glucosyl-cis-p-coumaric acid is a natural product found in Kunzea ambigua, Breynia rostrata, and other organisms with data available.
TRIPHENYL PHOSPHATE
C18H15O4P (326.07079200000004)
CONFIDENCE standard compound; INTERNAL_ID 491; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9628; ORIGINAL_PRECURSOR_SCAN_NO 9627 CONFIDENCE standard compound; INTERNAL_ID 491; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9676; ORIGINAL_PRECURSOR_SCAN_NO 9675 CONFIDENCE standard compound; INTERNAL_ID 491; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9722; ORIGINAL_PRECURSOR_SCAN_NO 9720 CONFIDENCE standard compound; INTERNAL_ID 491; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9722; ORIGINAL_PRECURSOR_SCAN_NO 9721 CONFIDENCE standard compound; INTERNAL_ID 491; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9686; ORIGINAL_PRECURSOR_SCAN_NO 9683 CONFIDENCE standard compound; INTERNAL_ID 491; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9737; ORIGINAL_PRECURSOR_SCAN_NO 9735 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3638 CONFIDENCE standard compound; INTERNAL_ID 2464 CONFIDENCE standard compound; INTERNAL_ID 8249 CONFIDENCE standard compound; INTERNAL_ID 8795 CONFIDENCE standard compound; INTERNAL_ID 4175
Bilobalide A
Bilobalide A is found in fats and oils. Bilobalide A is a constituent of leaves of Ginkgo biloba (ginkgo). Constituent of leaves of Ginkgo biloba (ginkgo). Bilobalide A is found in ginkgo nuts and fats and oils. Bilobalide, a sesquiterpene trilactone constituent of Ginkgo biloba, inhibits the NMDA-induced efflux of choline with an IC50 value of 2.3 μM. Bilobalide prevents apoptosis through activation of the PI3K/Akt pathway in SH-SY5Y cells. Exerts protective and trophic effects on neurons[1][2]. Bilobalide, a sesquiterpene trilactone constituent of Ginkgo biloba, inhibits the NMDA-induced efflux of choline with an IC50 value of 2.3 μM. Bilobalide prevents apoptosis through activation of the PI3K/Akt pathway in SH-SY5Y cells. Exerts protective and trophic effects on neurons[1][2].
trans-p-Coumaric acid 4-glucoside
trans-p-Coumaric acid 4-glucoside is found in blackcurrant. trans-p-Coumaric acid 4-glucoside is a constituent of Brassica species and other plant species.
trans-p-Coumaroyl beta-D-glucopyranoside
Trans-p-coumaroyl beta-d-glucopyranoside, also known as 1-O-(4-hydroxycinnamoyl)-beta-D-glucose or 1-O-(4-coumaroyl)-β-D-glucoside, is a member of the class of compounds known as hydroxycinnamic acid glycosides. Hydroxycinnamic acid glycosides are glycosylated hydoxycinnamic acids derivatives. Trans-p-coumaroyl beta-d-glucopyranoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Trans-p-coumaroyl beta-d-glucopyranoside can be found in tea, which makes trans-p-coumaroyl beta-d-glucopyranoside a potential biomarker for the consumption of this food product.
5-Fluorodeoxyuridine monophosphate
5-Fluorodeoxyuridine monophosphate is a metabolite of floxuridine. Floxuridine (also 5-fluorodeoxyuridine) is an oncology drug that belongs to the class known as antimetabolites. The drug is most often used in the treatment of colorectal cancer. (Wikipedia)
5,6-Dihydrouridine 5-monophosphate
C9H15N2O9P (326.05151500000005)
Gliotoxin
Gliotoxin is a pyrazinoindole with a disulfide bridge spanning a dioxo-substituted pyrazine ring; mycotoxin produced by several species of fungi. It has a role as a mycotoxin, an immunosuppressive agent, an EC 2.5.1.58 (protein farnesyltransferase) inhibitor, a proteasome inhibitor and an antifungal agent. It is an organic disulfide, a pyrazinoindole, an organic heterotetracyclic compound and a dipeptide. Gliotoxin is a natural product found in Streptomyces, Aspergillus cejpii, and other organisms with data available. Gliotoxin is a sulfur-containing antibiotic produced by several species of fungi, some of which are pathogens of humans such as Aspergillus, and also by species of Trichoderma, and Penicillium. Gliotoxin possesses immunosuppressive properties as it may suppress and cause apoptosis in certain types of cells of the immune system, including neutrophils, eosinophils, granulocytes, macrophages, and thymocytes. (L1941) A fungal toxin produced by various species of Trichoderma, Gladiocladium fimbriatum, Aspergillus fumigatus, and Penicillium. It is used as an immunosuppressive agent. A pyrazinoindole with a disulfide bridge spanning a dioxo-substituted pyrazine ring; mycotoxin produced by several species of fungi. D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins C308 - Immunotherapeutic Agent > C574 - Immunosuppressant
Dihydrosterigmatocystin
Dihydrosterigmatocystin is a mycotoxin of Aspergillus versicolo
1-O-p-Coumaroyl-beta-D-glucose
Isolated from many plants, e.g. Solanum and Fragaria subspecies 1-O-p-Coumaroyl-beta-D-glucose is found in many foods, some of which are white cabbage, redcurrant, italian sweet red pepper, and potato. 1-O-p-Coumaroyl-beta-D-glucose is found in broccoli. 1-O-p-Coumaroyl-beta-D-glucose is isolated from many plants, e.g. Solanum and Fragaria species.
Aldobiouronic acid D3
Aldobiouronic acid D3 is found in cereals and cereal products. Aldobiouronic acid D3 is isolated from partial acid hydrolysates of gum chagual (Puya species) and the hemicelluloses from corn hulls and wheat bran. Isolated from partial acid hydrolysates of gum chagual (Puya subspecies) and the hemicelluloses from corn hulls and wheat bran. Aldobiouronic acid D3 is found in cereals and cereal products.
3,4,5-trihydroxy-6-[(2-phenylpropanoyl)oxy]oxane-2-carboxylic acid
Fertaric acid
Fertaric acid is a the ester of tartaric acid and the phenolic acid ferulic acid, a type of polyphenol. Polyphenol are secondary plant metabolites and components of grapes, wines and beers. They contribute to the sensory characteristics of wine. Yeast can influence the polyphenolic wine composition by adsorbing them throught its cell wall during wine making. [Caridi 2004]
Atroviridin
Atroviridin is found in fruits. Atroviridin is a constituent of Garcinia atroviridis (gelugor). Constituent of Garcinia atroviridis (gelugor). Atroviridin is found in fruits.
Demethoxykanugin
Demethoxykanugin is isolated from Rhus chinensis (Chinese gall). Isolated from Rhus chinensis (Chinese gall)
6-O-p-Coumaroyl-D-glucose
6-O-p-Coumaroyl-D-glucose is found in green vegetables. 6-O-p-Coumaroyl-D-glucose is isolated from various commercial rhubarbs (Rheum sp.). Isolated from various commercial rhubarbs (Rheum species). 6-O-p-Coumaroyl-D-glucose is found in green vegetables.
2-O-p-Coumaroyl-D-glucose
2-O-p-Coumaroyl-D-glucose is found in green vegetables. 2-O-p-Coumaroyl-D-glucose is isolated from various commercial rhubarbs (Rheum sp.). Isolated from various commercial rhubarbs (Rheum species). 2-O-p-Coumaroyl-D-glucose is found in green vegetables.
O-Demethylforbexanthone
O-Demethylforbexanthone is found in fruits. O-Demethylforbexanthone is a constituent of Rheedia brasiliensis (bakupari) Constituent of Rheedia brasiliensis (bakupari). O-Demethylforbexanthone is found in herbs and spices and fruits.
3-O-alpha-D-Glucopyranuronosyl-D-xylose
3-O-alpha-D-Glucopyranuronosyl-D-xylose is found in cereals and cereal products. 3-O-alpha-D-Glucopyranuronosyl-D-xylose is isolated from hemicellulose hydrolysates, from pear cell-wall xylan, from various wheat-straw preparations and from corn hulls. Isolated from hemicellulose hydrolysates, from pear cell-wall xylan, from various wheat-straw preparations and from corn hulls. 3-O-alpha-D-Glucopyranuronosyl-D-xylose is found in pomes, cereals and cereal products, and fats and oils.
Iberin-N-acetyl-cysteine
Bilobalide
(2R)-2-{(1R)-2-Oxo-1-[(2-thienylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Brasofensine
Gliotoxin
Glucose lactate acetate
3-[4-Hydroxy-3-[3-(4-hydroxyphenyl)prop-2-enoyloxy]phenyl]prop-2-enoic acid
5'-Fluoro-2'-deoxyuridine monophosphate
Fluorodeoxyuridine monophosphate
Tris(2-chloropropyl) phosphate
C9H18Cl3O4P (326.00082480000003)
cis-o-Coumaric acid 2-glucoside
Isolated from Melilotus alba (white melilot), Melilotus altissima (tall yellow sweet clover) and other plants. trans-o-Coumaric acid 2-glucoside is found in herbs and spices and pulses. Isolated from Melilotus alba (white melilot). cis-o-Coumaric acid 2-glucoside is found in herbs and spices and pulses.
Feruloyltartaric acid
Feruloyltartaric acid, also known as trans-fertaric acid or feruloyltartarate, belongs to coumaric acids and derivatives class of compounds. Those are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. Feruloyltartaric acid is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Feruloyltartaric acid can be found in common grape, grape wine, sherry, and vinegar, which makes feruloyltartaric acid a potential biomarker for the consumption of these food products.
Bilobalide
Bilobalide is a terpenoid trilactone found in extracts of Ginkgo biloba. Bilobalide is a natural product found in Ginkgo biloba with data available. See also: Ginkgo (part of). relative retention time with respect to 9-anthracene Carboxylic Acid is 0.473 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.474 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.470 Bilobalide, a sesquiterpene trilactone constituent of Ginkgo biloba, inhibits the NMDA-induced efflux of choline with an IC50 value of 2.3 μM. Bilobalide prevents apoptosis through activation of the PI3K/Akt pathway in SH-SY5Y cells. Exerts protective and trophic effects on neurons[1][2]. Bilobalide, a sesquiterpene trilactone constituent of Ginkgo biloba, inhibits the NMDA-induced efflux of choline with an IC50 value of 2.3 μM. Bilobalide prevents apoptosis through activation of the PI3K/Akt pathway in SH-SY5Y cells. Exerts protective and trophic effects on neurons[1][2].
Boeravinone A
Boeravinone A is a member of rotenones. boeravinone A is a natural product found in Boerhavia diffusa with data available.
1,11-Dihydroxy-9,10-methylenedioxy-6a,12a-didehydrorotenone
3,5-Dimethoxy-6,7-methylenedioxyflavone
5,7-Dimethoxy-3,4-methylenedioxyflavone
7,8-Dimethoxy-3,4-methylenedioxyflavone
Pyrithiobac
C13H11ClN2O4S (326.01280360000004)
CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4676; ORIGINAL_PRECURSOR_SCAN_NO 4672 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4673; ORIGINAL_PRECURSOR_SCAN_NO 4671 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4704; ORIGINAL_PRECURSOR_SCAN_NO 4702 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4691; ORIGINAL_PRECURSOR_SCAN_NO 4686 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4777; ORIGINAL_PRECURSOR_SCAN_NO 4775 ORIGINAL_ACQUISITION_NO 4777; CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 4775 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4684; ORIGINAL_PRECURSOR_SCAN_NO 4679 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9063; ORIGINAL_PRECURSOR_SCAN_NO 9062 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9090; ORIGINAL_PRECURSOR_SCAN_NO 9088 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9119; ORIGINAL_PRECURSOR_SCAN_NO 9117 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9108; ORIGINAL_PRECURSOR_SCAN_NO 9106 CONFIDENCE standard compound; INTERNAL_ID 400; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9136; ORIGINAL_PRECURSOR_SCAN_NO 9132
Tris(1-chloro-2-propyl) phosphate
C9H18Cl3O4P (326.00082480000003)
3,5,7-Ttrihydroxylchromone 3-O-??-D-xylopyranoside
4-Methoxy-1,6-phenazinedicarboxylic acid dimethyl ester
2,2-Dimethyl-5,8,9-trihydroxy-2H,6H-pyrano[3,2-b]xanthen-6-one
3-O-(3,4-Dihydroxycinnamoyl),Me ester-2,3,4-Trihydroxy-2-methylbutanoic acid,
3,4,3,4-bis(O,O-methylene)ellagic acid|[1,3]dioxolo[6,7][2]benzopyrano[5,4,3-cde]-1,3-dioxolo[4,5-g][2]benzopyran-5,11-dione
6-hydroxy-2,7,8-trimethoxy-5H-phenanthro[4,5-bcd]pyran-5-one|ochracinanthrone
1,3,5-trihydroxy-13,13-dimethyl-2H-pyran[7,6-b]xanthen-9-one
(2R,2S,4S)-gamma-Glutamylmarasmine|gamma-Glutamylmarasmine
C10H18N2O6S2 (326.06062479999997)
(4S,5S,8S,9R,10S)-8,9,10-trihydroxy-4-[4-hydroxy-3-methoxyphenyl]-1,6-dioxaspiro[4,5]decan-2-one|foveospirolide
(E)-1-oxo-3,4-dihydro-1H-isochromen-7-yl 3-(3,4-dihydroxyphenyl)acrylate
2,2-Dimethyl-6,10,11-trihydroxy-2,7-dihydropyrano[3,2-c]xanthene-7-one
4-O-(p-coumaroyl)-D-glucopyranose|4-O-p-Cumaroyl-glucopyranose|4-p-Cumaroyl-glucose
7,8-dimethoxy-3,4-methylenedioxy-phenanthrene-1-carboxylic acid|demethylaristofolin C
(-)-[(3SR,3aSR,8bSR)-7-bromo-1,2,3,8b-tetrahydro-3,6,8b-trimethyl-3aH-benzo[b]cyclopenta[d]furan-3a-yl]methyl hydroperoxide|laureperoxide
C15H19BrO3 (326.05174839999995)
(-)-3-O-galloylshikimic acid|(-)-shikimic acid 3-O-gallate|3-O-galloyl shikimic acid|3-O-galloyl-(-)-shikimic acid|3-O-Galloylshikimic acid|5-O-galloylshikimic acid|shikimic acid 5-O-gallate
5,7-dimethoxy-6-(3-chloro-2-hydroxy-3-methylbutyl)coumarin|5,7-Dimethoxy-6-(3-chlor-2-hydroxy-3-methyl-butyl)-cumarin|5,7-dimethoxy-6-(3-chloro-2-hydroxy-3-methylbutyl)coumarin
3-O-(alpha-D-glucopyranosyluronic acid)-D-xylose|O-alpha-D-Glucuronopyranosyl-(1->3)-D-xylopyranose
rel-(2R,3R)-2-(4-hydroxyphenyl)-4-[(E)-1-(4-hydroxyphenyl)methylidene]-5-oxotetrahydro-3-furancarboxylic acid
2-O-(3,4-Dihydroxycinnamoyl),Me ester-2,3,4-Trihydroxy-2-methylbutanoic acid,
(5-O-feruloyl)-L-arabinose|5-O-(E)-feruloyl-L-arabinofuranose|5-O-(trans-feruloyl)-alpha-L-arabinofuranose|5-O-(trans-feruloyl)-L-arabinofuranose|5-O-(trans-feruloyl)-L-Araf|5-O-trans-feruloyl-L-arabinofuranose
(1R,2S)-1,2-epoxyneomajucin|(1S,2R,4S,6S,7S,11R,12R,15R)-6,11,15-trihydroxy-2,7-dimethyl-3,9,13-trioxapentacyclo[10.3.1.01,6.02,4.07,11]hexadecane-10,14-dione|1,2-epoxyneomajucin
4H-1-Benzopyran-4-one, 2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-
2-(1-hydroxy-1-methylethyl)-9-methoxy-1,8-dioxa-dicyclopenta[b,g]naphthalene-4,10-dione
4-O-galloyl-(-)-shikimic acid|4-O-Galloylshikimic acid
3-Acetonyl-1,8-dihydroxy-6-methoxy-anthrachinon|3-acetonyl-1,8-dihydroxy-6-methoxy-anthraquinone|Dermoquinone
5H-Phenanthro(4,5-bcd)pyran-5,9,10-trione, 1,8-dihydroxy-2-methoxy-6-methyl-
4,5-methylenedioxy-7,2-dimethoxyflavone|millettocalyxin A
(+)-6-(3-Chloro-2-hydroxy-3-methylbutyl)-5,7-dimethoxycoumarin
(E)-3-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-2-hydroxy-4-methoxyphenyl]propanoic acid
4,5-dihydroxy-9,10-dioxo-3-propylanthracene-2-carboxylic acid
Tris(1-chloro-2-propyl)phosphate
C9H18Cl3O4P (326.00082480000003)
CONFIDENCE standard compound; INTERNAL_ID 2470 CONFIDENCE standard compound; INTERNAL_ID 8810
Melilotoside
C15H18O8_2-Propenoic acid, 3-[4-(beta-D-glucopyranosyloxy)phenyl]-, (2E)
C15H18O8_beta-D-Glucopyranose, 1-O-[(2E)-3-(2-hydroxyphenyl)-1-oxo-2-propen-1-yl]
(E)-3-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
(E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
(1S,4R,7S,8S,11S)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo[6.6.0.0¹,¹¹.0⁴,⁸]tetradecane-2,6,13-trione
3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-2-hydroxy-4-methoxyphenyl]propanoic acid
(1S,4R,7S,8S,11S)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo[6.6.0.0¹,¹¹.0⁴,⁸]tetradecane-2,6,13-trione_major
3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-2-hydroxy-4-methoxyphenyl]propanoic acid_major
(E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid_major
3-[5-(3,4-dihydroxy-4-methyl-5-oxooxolan-2-yl)-2-hydroxy-4-methoxyphenyl]propanoic acid_22.6\\%
(1S,4R,7S,8S,11S)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo[6.6.0.0¹,¹¹.0⁴,⁸]tetradecane-2,6,13-trione_75.9\\%
(1S,4R,7S,8S,11S)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo[6.6.0.0¹,¹¹.0⁴,⁸]tetradecane-2,6,13-trione_78.0\\%
6-(2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)-1-PHENYL-2-THIOBIUREA
Dihydrosterigmatocystin
A sterigmatocystin whose skeleton comprises a xanthone ring system ortho-fused to a dihydrofuranofuran moiety.
1-O-p-Coumaroyl-beta-D-glucose
trans-p-Coumaric acid 4-glucoside
N-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide
METHYL 3-([[3-(TRIFLUOROMETHYL)PHENYL]THIO]METHYL)BENZOATE
C16H13F3O2S (326.05883140000003)
cis-1,2-dicyano-1,2-bis(2,4,5-trimethyl-3-thienyl)ethene
5-Chloro-1-(4-fluorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
4-(4-acetylpiperazin-1-yl)-3-bromobenzoic acid
C13H15BrN2O3 (326.02659800000004)
ethyl 3-bromo-4-(4-methylpiperazin-1-yl)benzoate
C14H19BrN2O2 (326.06298139999996)
3-bromo-4-(4-propan-2-ylpiperazin-1-yl)benzoic acid
C14H19BrN2O2 (326.06298139999996)
3-bromo-4-[(4-ethylpiperazin-1-yl)methyl]benzoic acid
C14H19BrN2O2 (326.06298139999996)
methyl 3-bromo-4-[(3-methylpiperazin-1-yl)methyl]benzoate
C14H19BrN2O2 (326.06298139999996)
2-BROMO-1-[3,5-DI(TERT-BUTYL)-4-HYDROXYPHENYL]ETHAN-1-ONE
1-CYCLOPROPYL-5-AMIDO-6,7,8-TRIFLUORO-1,4-DIHYDRO-4-OXO-3- QUINOLINECARBOXYLIC ACID ETHYL ESTER
C15H13F3N2O3 (326.08782240000005)
TRANS-1,2-DICYANO-1,2-BIS(2,4,5-TRIMETHYL-3-THIENYL)ETHENE
(11-Bromoundecyl)(chloro)dimethylsilane
C13H28BrClSi (326.08320580000003)
4-Boc-7-Bromo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
C14H19BrN2O2 (326.06298139999996)
(6Z,6Z)-6,6-{1,2-Ethanediylbis[imino(Z)methylylidene]}bis(2,4-c yclohexadien-1-one) - nickel (1:1)
C16H16N2NiO2 (326.05651859999995)
1-(2,4-DICHLOROPHENETHYL)HYDRAZINEHYDROCHLORIDE
C15H16Cl2N2O2 (326.05887759999996)
2-(2-Acethydrazide)-7-chloro-5-phenyl-2H-1,4-dibenzodiazopine-2-one
calcium; (E)-4-ethoxy-4-oxo-but-2-enoic acid; hydrogen(-1) anion
5-chloro-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
3-Bromo-N-cyclohexyl-5-nitrobenzamide
C13H15BrN2O3 (326.02659800000004)
2-(6-BROMOQUINOLIN-4-YL)-1-(PYRIDIN-2-YL)ETHANONE
C16H11BrN2O (326.00546959999997)
N-(5-CHLORO-2-METHYL-4-NITROPHENYL)-BENZENESULFONAMIDE
C13H11ClN2O4S (326.01280360000004)
3-[(4μ-Chloro-1-naphthyloxy)methyl]phenylboronic acid
Silane, [(5-bromo-2,3-dihydro-1H-inden-1-yl)oxy](1,1-dimethylethyl)dimethyl-
ethyl 2-[5,6-dichloro-2-(cyanoamino)-4H-quinazolin-3-yl]acetate
p-[[(4-chlorobutyl)sulphonyl]amino]benzenesulphonamide
tert-Butyl (6-bromofuro[3,2-b]pyridin-2-yl)methylcarbamate
C13H15BrN2O3 (326.02659800000004)
6-Chloro-9-beta-D-(2,3-isopropylidene)ribofuranosylpurine
C13H15ClN4O4 (326.07817800000004)
[4-(6-acetyloxy-1-benzothiophen-2-yl)phenyl] acetate
C18H14O4S (326.06127640000005)
(3-((4-METHOXYBENZYL)OXY)-5-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
2-(2-Anilinovinyl)-3-(3-sulfopropyl)-2-thiazolinium inner salt
4-(4-ISOBUTYLPHENYL)-5-METHYL-1,3-THIAZOL-2-AMINE HYDROBROMIDE
1-Boc-5-bromo-6-Methoxy-1H-indazole
C13H15BrN2O3 (326.02659800000004)
2-Boc-5-bromo-1,2,3,4-tetrahydroisoquinolin-8-amine
C14H19BrN2O2 (326.06298139999996)
3-(2-BROMO-PHENYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C14H19BrN2O2 (326.06298139999996)
3-(3-BROMO-PHENYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C14H19BrN2O2 (326.06298139999996)
3-(4-BROMO-PHENYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C14H19BrN2O2 (326.06298139999996)
4-CHLORO-2-[2-PHENYLVINYL]-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDINE
C18H15ClN2S (326.06444200000004)
4,6-DIPHENYLTHIENO[3,4-D]-1,3-DIOXOL-2-ONE 5,5-DIOXIDE
2-IODOMETHYL-CYCLOPROPANE-1,1-DICARBOXYLIC ACID DIETHYL ESTER
3-(4-Bromophenyl)-1-Phenyl-1H-Pyrazole-4-Carbaldehyde
C16H11BrN2O (326.00546959999997)
5-Bromo-1-phenyl-2,3-bipyridin-6(1H)-one
C16H11BrN2O (326.00546959999997)
4-(3-Bromophenyl)-6-phenyl-2(1H)-pyrimidinone
C16H11BrN2O (326.00546959999997)
Ethyl(triphenyl)phosphoniumchlorid
C20H20ClP (326.09910800000006)
2-(4-(2-Bromoethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C14H20BBrO3 (326.06887800000004)
2-(3-(2-Bromoethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C14H20BBrO3 (326.06887800000004)
2-(6-Bromobenzo[d][1,3]dioxol-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-(3-Bromo-5-ethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C14H20BBrO3 (326.06887800000004)
2-CHLORO-N-{4-[(PYRIMIDIN-2-YLAMINO)SULFONYL]PHENYL}ACETAMIDE
C12H11ClN4O3S (326.02403660000004)
4-Chloro-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]py ridine-5-carboxylic acid
2-Pentafluorophenyl-malonic acid diethyl ester
C13H11F5O4 (326.05774660000003)
Dimethyl [2-oxo-3-[3-(trifluoromethyl)phenoxy]propyl]phosphonate
C12H14F3O5P (326.05309200000005)
4-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-quinoxaline
Tris(4-hydroxyphenyl)phosphine oxide
C18H15O4P (326.07079200000004)
4-Bromo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyr idine
C13H19BrN2OSi (326.04499439999995)
5-tert-butyl-2-[(2,4-dichlorophenyl)methyl]pyrazole-3-carboxylic acid
C15H16Cl2N2O2 (326.05887759999996)
ethyl 1-(3,4-dichlorophenyl)-4,5-dihydrofuro[2,3-c]pyrazole-3-carboxylate
Dimethyl(acetylacetonate)gold(III), (99.9\\%-Au)
C7H13AuO2 (326.05810979999995)
METHYL 4-(TRIFLUOROMETHYL)-6-(THIOPHEN-2-YL)-1H-PYRROLO[2,3-B]PYRIDINE-2-CARBOXYLATE
7-(4-methylsulfanylphenyl)-5-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
N,N-Dinitroso-p-phenylenediamine-N,N-diacetic Acid
Poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate)
p-Nitrophenyl 2-Azido-2-deoxy-a-D-galactopyranoside
ethyl 2-(aMinoMethyl)-6-broMo-5-hydroxy-1-Methyl-1H-indole-3-carboxylate
C13H15BrN2O3 (326.02659800000004)
N-(6-iodoquinolin-4-yl)diazenyl-N-methyl-methanamine
Methyl 2-(4-bromophenyl)-5,8-dioxaspiro[3.4]octane-2-carboxylate
C14H15BrO4 (326.01536500000003)
4-(1-Sulfo-1-carboxylethyl) Edaravone
C13H14N2O6S (326.05725440000003)
5,7-bis(trifluoromethyl)-3-cyano-2-(methylthio)pyrazolo[1,5-a]pyrimidine
Brasofensine
C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent
N-(2,3-Difluoro-benzyl)-4-sulfamoyl-benzamide
C14H12F2N2O3S (326.05366660000004)
(2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid
C15H12Cl2O4 (326.01126120000004)
trans-p-Coumaroyl beta-D-glucopyranoside
Trans-p-coumaroyl beta-d-glucopyranoside, also known as 1-O-(4-hydroxycinnamoyl)-beta-D-glucose or 1-O-(4-coumaroyl)-β-D-glucoside, is a member of the class of compounds known as hydroxycinnamic acid glycosides. Hydroxycinnamic acid glycosides are glycosylated hydoxycinnamic acids derivatives. Trans-p-coumaroyl beta-d-glucopyranoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Trans-p-coumaroyl beta-d-glucopyranoside can be found in tea, which makes trans-p-coumaroyl beta-d-glucopyranoside a potential biomarker for the consumption of this food product.
2-[[(4-Chlorophenyl)sulfonyl](2-pyridinyl)amino]acetic acid
C13H11ClN2O4S (326.01280360000004)
4-(1-Methyltetrazol-5-yl)sulfanyl-5-phenylthieno[2,3-d]pyrimidine
4-[[(2-Methyl-1,3-benzothiazol-6-yl)-oxomethyl]amino]benzoic acid methyl ester
C17H14N2O3S (326.07250940000006)
4-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
N-(2-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide
C17H14N2O3S (326.07250940000006)
(2S)-2-(4-(2,4-Dichlorophenoxy)phenoxy)propanoic acid
C15H12Cl2O4 (326.01126120000004)
4-(2,6-Dichlorostyryl)-6,6-dimethyl-2-(methylsulfanyl)-1,6-dihydropyrimidine
2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-phenylacetamide
C17H14N2O3S (326.07250940000006)
2-[(4-Chlorophenyl)methyl]-4-(prop-2-enylthio)quinazoline
C18H15ClN2S (326.06444200000004)
5-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxymethyl]-2-furancarboxylic acid
5-(1,3-benzodioxol-5-yl)-3-[3-(methylthio)phenyl]-1H-imidazol-2-one
C17H14N2O3S (326.07250940000006)
6-O-(trans-4-coumaroyl)-beta-D-glucopyranose
An O-acyl carbohydrate that is beta-D-glucose bearing a trans-4-coumaroyl substituent at position 6.
n-(2,6-Diflouro-benzyl)-4-sulfamoyl-benzamide
C14H12F2N2O3S (326.05366660000004)
4-(Aminosulfonyl)-N-[(2,4-difluorophenyl)methyl]-benzamide
C14H12F2N2O3S (326.05366660000004)
4-(Aminosulfonyl)-N-[(2,5-difluorophenyl)methyl]-benzamide
C14H12F2N2O3S (326.05366660000004)
(2R)-2-{(1R)-2-Oxo-1-[(2-thienylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
trans-p-Coumaric acid 4-glucoside
Trans-p-coumaric acid 4-glucoside, also known as 4-O-beta-D-glucosyl-4-coumaric acid or 4-O-beta-D-glucosyl-4-hydroxycinnamate, 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. Trans-p-coumaric acid 4-glucoside is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Trans-p-coumaric acid 4-glucoside can be found in loquat, which makes trans-p-coumaric acid 4-glucoside a potential biomarker for the consumption of this food product. trans-p-Coumaric acid 4-glucoside is found in blackcurrant. trans-p-Coumaric acid 4-glucoside is a constituent of Brassica species and other plant species.
trans-p-Coumaroyl beta-D-glucopyranoside
Trans-p-coumaroyl beta-d-glucopyranoside, also known as 1-O-(4-hydroxycinnamoyl)-beta-D-glucose or 1-O-(4-coumaroyl)-β-D-glucoside, is a member of the class of compounds known as hydroxycinnamic acid glycosides. Hydroxycinnamic acid glycosides are glycosylated hydoxycinnamic acids derivatives. Trans-p-coumaroyl beta-d-glucopyranoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Trans-p-coumaroyl beta-d-glucopyranoside can be found in tea, which makes trans-p-coumaroyl beta-d-glucopyranoside a potential biomarker for the consumption of this food product.
10H-3,10a-Epidithiopyrazino[1,2-a]indole-1,4-dione, 2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-, [3R-(3alpha,5abeta,6beta,10aalpha)]-
7,9-Dimethoxy-6-phenyl-[1,3]dioxolo[4,5-g]chromen-8-one
(7S,8S)-7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-diene-10,14-dione
N-6-mercaptohexanoylthreonine phosphate
C10H17NO7PS-3 (326.04633220000005)
2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxylate
C16H10N2O6-2 (326.05388400000004)
(2S,3R,4S,5R)-3,5,6-trihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
[5-(2,4-Dioxopyrimidin-1-yl)-5-fluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
[[5-(2,4-Dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-fluoromethyl] dihydrogen phosphate
[2-[2,3,4,5-Tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]acetyl] 2-hydroxypropaneperoxoate
2-[2-oxo-1-[(2-thiophen-2-ylacetyl)amino]ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
3-[4-Hydroxy-3-[3-(4-hydroxyphenyl)prop-2-enoyloxy]phenyl]prop-2-enoic acid
1-(4-Methoxyphenyl)-3-[(2-oxo-3-indolyl)amino]thiourea
2-(4-Benzofuro[3,2-d]pyrimidinylthio)-1-thiophen-2-ylethanone
N-[(E)-1-(furan-2-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
6-[(E)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-4-(trifluoromethyl)pyrimidin-2(1H)-one
C15H13F3N2O3 (326.08782240000005)
(2S,3S)-trans-fertaric acid
A cinnamate ester obtained by formal condensation of the carboxy group of trans-ferulic acid with one of the hydroxy groups of D-tartaric acid.
2-Chloro-4-(3,4-dimethoxyphenyl)-6-phenylpyrimidine
1-Methyl-4-[(4-methylphenyl)thio]-3-nitro-2-quinolinone
C17H14N2O3S (326.07250940000006)
4-{[(E)-3-Mercapto-5-phenyl-[1,2,4]triazol-4-ylimino]-methyl}-2-methoxy-phenol
3-Chloro-1-(2-chlorophenyl)-4-(4-morpholinyl)pyrrole-2,5-dione
[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid
N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-furancarboxamide
C17H14N2O3S (326.07250940000006)
N-[(E)-1-(1,3-Benzodioxol-5-yl)ethylideneamino]-1,3-benzodioxole-5-carboxamide
beta-D-Glucopyranose, 1-O-[(2E)-3-(2-hydroxyphenyl)-1-oxo-2-propen-1-yl]-
1-(Phenylmethyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
C15H13F3N2OS (326.07006440000004)
4-[2,3,5,6-Tetrafluoro-4-(1-propen-1-yl)phenoxy]benzoic acid
C16H10F4O3 (326.05660379999995)
(5E)-5-benzylidene-1-(4-fluorobenzoyl)-2-sulfanylideneimidazolidin-4-one
3-(4-Fluorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
N-(3-cyano-2-thiophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
C15H10N4O3S (326.04735900000003)
4-(2,5-Dimethylfuran-3-yl)-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,11(15)-tetraen-7-one
3-[[[5-(Phenylmethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid
C17H14N2O3S (326.07250940000006)
6-O-(trans-4-coumaroyl)-alpha-D-glucopyranose
An O-acyl carbohydrate that is alpha-D-glucose bearing a trans-4-coumaroyl substituent at position 6.
4-methoxy-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide
C15H13F3N2O3 (326.08782240000005)
N-(1,3-benzodioxol-5-ylmethylene)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-quinolinamine
1,1-Difluoro-2-[(4-hydroxy-1-adamantyl)oxy]-2-oxoethanesulfonic acid
C12H16F2O6S (326.06356200000005)
(2R,3R)-cis-fertaric acid
A cinnamate ester obtained by formal condensation of the carboxy group of cis-ferulic acid with one of the hydroxy groups of L-tartaric acid.
(2S,3S)-cis-fertaric acid
A cinnamate ester obtained by formal condensation of the carboxy group of cis-ferulic acid with one of the hydroxy groups of D-tartaric acid.
3-O-(cis-4-coumaroyl)-beta-D-glucopyranose
An O-acyl carbohydrate that is beta-D-glucose bearing a cis-4-coumaroyl substituent at position 3.
3-O-(trans-4-coumaroyl)-beta-D-glucopyranose
An O-acyl carbohydrate that is beta-D-glucose bearing a trans-4-coumaroyl substituent at position 4.
[(E)-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethylideneamino] 4-(trifluoromethyl)benzoate
C15H13F3N2O3 (326.08782240000005)
(3E)-3-[[4-(Methylamino)-3-nitrophenyl]methylidene]thiochromen-4-one
C17H14N2O3S (326.07250940000006)
6-(4-Ethenyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
1-(3,4-Dihydroxyphenyl)-3-(4-methoxy-1-benzofuran-5-yl)propane-1,3-dione
2-[(2E)-2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]azaniumyl-4-hydroxy-4-oxobutanoate
2-(1,3-Benzothiazol-2-yl)-4-chloro-3-oxo-4-phenylbutanenitrile
2-(6-Carboxy-3,4,5-trihydroxyoxan-2-yl)oxy-3-hydroxybutanedioic acid
[1-(7-Hydroxy-2-oxochromen-8-yl)-3-methylbut-3-en-2-yl] hydrogen sulate
C14H14O7S (326.04602140000003)
3,4,5-Trihydroxy-6-[(3-phenyloxiran-2-yl)methoxy]oxane-2-carboxylic acid
4,5-Dihydroxy-9,10-dioxo-3-propylanthracene-2-carboxylic acid
(1S,4R,7S,8S,11S)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo[6.6.0.01,11.04,8]tetradecane-2,6,13-trione
[(1R,12R)-6,8,11,19-tetraoxapentacyclo[10.8.0.02,10.05,9.013,18]icosa-2(10),3,5(9),13(18),14,16-hexaen-16-yl] acetate
2-[(2-Benzothiazolyl)azo]-4-(dimethylamino)benzoic acid
(2R,3R)-trans-fertaric acid
A cinnamate ester obtained by formal condensation of the carboxy group of trans-ferulic acid with one of the hydroxy groups of L-tartaric acid.
acetaminophen O-beta-D-glucosiduronate
A beta-D-glucosiduronate that is the conjugate base of acetaminophen O-beta-D-glucosiduronic acid, obtained by deprotonation of the carboxy group.
2,4,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
(2-methylpropoxy)[(2-{[(2-methylpropoxy)methanethioyl]sulfanyl}ethyl)sulfanyl]methanethione
3a-chloro-6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-tetrahydrocyclopenta[c]furan-1-one
C15H15ClO6 (326.05571199999997)
(3r,5as,6s,10ar)-6-hydroxy-2-methyl-3,10a-bis(methylsulfanyl)-3h,5ah,6h,10h-pyrazino[1,2-a]indole-1,4-dione
(1s,2r,3r)-1,2,6,7-tetrahydroxy-3-methyl-1h,2h,3h-cyclohexa[a]fluorene-4,11-dione
6,9,11-trihydroxy-2,2-dimethyl-1,5-dioxatetraphen-10-one
3,5,10,13,15,20-hexaoxahexacyclo[9.9.2.0²,⁶.0⁸,²¹.0¹²,¹⁶.0¹⁸,²²]docosa-1(21),2(6),7,11(22),12(16),17-hexaene-9,19-dione
15-hydroxy-11-methoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,9,11,14,16,18-hexaen-13-one
methyl 8-hydroxy-9-oxo-6-(2-oxopropyl)xanthene-1-carboxylate
methyl 7-hydroxy-2-(4-methoxyphenyl)-4-oxochromene-5-carboxylate
5,10-dihydroxy-4-(hydroxymethyl)-1h-anthra[1,2-c]furan-3,6,11-trione
(1s,13s)-17-methoxy-5,7,11,14-tetraoxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15,17,19-hexaen-21-one
1,3,5-trihydroxy-13,13-dimethyl-2h-pyran[6,7-b]-xanthen-9-one
{"Ingredient_id": "HBIN001061","Ingredient_name": "1,3,5-trihydroxy-13,13-dimethyl-2h-pyran[6,7-b]-xanthen-9-one","Alias": "NA","Ingredient_formula": "C18H14O6","Ingredient_Smile": "CC1(C=CC2=C(O1)C(=C3C(=C2)C(=O)C4=C(C=C(C=C4O3)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21707","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3',4'-methylenedi oxy-6,7-dimethoxyflavone
{"Ingredient_id": "HBIN007500","Ingredient_name": "3',4'-methylenedi oxy-6,7-dimethoxyflavone","Alias": "NA","Ingredient_formula": "C18H14O6","Ingredient_Smile": "COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC4=C(C=C3OC)OCO4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14356","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,5,7-ttrihydroxylchromone 3-o-β-d-xylopyra-noside
{"Ingredient_id": "HBIN007586","Ingredient_name": "3,5,7-ttrihydroxylchromone 3-o-\u03b2-d-xylopyra-noside","Alias": "NA","Ingredient_formula": "C14H14O9","Ingredient_Smile": "C1C(C(C(C(O1)OC2=COC3=CC(=CC(=C3C2=O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "22055","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-(3,4-dimethoxyphenyl)-2h-[1,3]dioxolo[4,5-g]chromen-8-one
6-(3-chloro-2-hydroxy-3-methylbutyl)-5,7-dimethoxychromen-2-one
(2s)-2-amino-4-{[(1r)-1-carboxy-2-[(r)-(methylsulfanyl)methanesulfinyl]ethyl]-c-hydroxycarbonimidoyl}butanoic acid
C10H18N2O6S2 (326.06062479999997)
(1s,3r,12s)-12-bromo-1,11,11-trimethyl-6-methylidene-2,5-dioxatricyclo[8.4.0.0³,⁷]tetradec-7-ene
(5r)-4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)cyclohex-1-ene-1-carboxylic acid
8-(1-bromoprop-1-en-1-yl)-6-hydroxy-4,4-dimethyl-5-oxatricyclo[4.4.0.0¹,³]dec-8-ene-7,10-dione
C14H15BrO4 (326.01536500000003)
3-bromo-12,14-dihydroxy-2,8,11,13-tetraazatetracyclo[7.6.0.0²,⁶.0¹⁰,¹⁴]pentadeca-3,5,11-trien-7-one
10,15-dihydroxy-2,6,8,20-tetraoxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-1(13),3,5(9),10,14,16,18-heptaen-12-one
8-methoxy-6,7-dioxo-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid
5,8,9-trihydroxy-2,2-dimethyl-1,11-dioxatetracen-6-one
(3r,7s)-15-hydroxy-11-methoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,9,11,14,16,18-hexaen-13-one
(2r,3r,4e)-2-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxooxolane-3-carboxylic acid
(1s,3r,10s,12s)-12-bromo-1,11,11-trimethyl-6-methylidene-2,5-dioxatricyclo[8.4.0.0³,⁷]tetradec-7-ene
4,10-dihydroxy-5-methoxy-1h-anthra[1,2-c]furan-3,6,11-trione
4-bromo-n-[3-(2,5-dihydroxyimidazol-4-ylidene)propyl]-1h-pyrrole-2-carboxamide
8,9,11-trihydroxy-2,2-dimethyl-1,5-dioxatetraphen-10-one
(3s,7r)-11-hydroxy-15-methoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,9,11,14,16,18-hexaen-13-one
2-(2h-1,3-benzodioxol-5-yl)-7,8-dimethoxychromen-4-one
(5r)-3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohex-1-ene-1-carboxylic acid
6-(2-hydroxy-2-oxo-6h-1,3,2λ⁵-dioxaphosphinin-4-yl)-1,3-dimethylpteridine-2,4-dione
C11H11N4O6P (326.04161960000005)
4,15-dihydroxy-6,8,12,21-tetraoxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-1(13),3,5(9),10,14,16,18-heptaen-2-one
6,9,12-trihydroxy-2,2-dimethyl-1,10-dioxatetraphen-5-one
4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)cyclohex-1-ene-1-carboxylic acid
(11r)-14,15-dimethoxy-3,5,10-trioxapentacyclo[9.7.1.0²,⁶.0⁸,¹⁹.0¹³,¹⁸]nonadeca-1(19),2(6),7,13,15,17-hexaen-9-one
6,7,11-trihydroxy-2,2-dimethyl-1,5-dioxatetraphen-10-one
10-hydroxy-2-[2-(hydroxymethyl)oxiran-2-yl]-1h,2h-furo[3,2-a]xanthen-11-one
3,5,14-trimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one
3-benzyl-6-(hydroxymethyl)-3,6-bis(methylsulfanyl)pyrazine-2,5-diol
(1r,7s,8r,11r)-7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.0¹,⁹.0³,⁸]pentadeca-3,5-diene-10,14-dione
3,9,11-trihydroxy-10-methyl-5,7-dioxatetraphene-6,12-dione
4-(2h-1,3-benzodioxol-5-yl)-5,7-dimethoxychromen-2-one
5,8-dihydroxy-11-methoxy-2-methyl-8h,9h-indeno[5,6-h]chromene-4,10-dione
(4e)-3,4-dihydroxy-2,5-diphenylhexa-2,4-dienedioic acid
7,9-dimethoxy-6-phenyl-2h-[1,3]dioxolo[4,5-g]chromen-8-one
3,8-dihydroxy-9,10-dioxo-1-propylanthracene-2-carboxylic acid
8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dihydroxy-6-methylpteridin-7-one
(4r,8r)-2,4,18-trihydroxy-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
2,3-dihydroxy-2-[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]butanedioic acid
6-[(2s)-3-chloro-2-hydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one
(2z)-3-({hydroxy[2-(4-hydroxybenzamido)phenyl]methylidene}amino)prop-2-enoic acid
6,8,12-trihydroxy-2,2-dimethyl-1,10-dioxatetraphen-5-one
(2e,4e)-3,4-dihydroxy-2,5-diphenylhexa-2,4-dienedioic acid
3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)cyclohex-1-ene-1-carboxylic acid
5,8,10-trihydroxy-2,2-dimethyl-1,6-dioxatetracen-11-one
(2r)-10-hydroxy-2-[(2s)-2-(hydroxymethyl)oxiran-2-yl]-1h,2h-furo[3,2-a]xanthen-11-one
7-[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-imino-1h-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
7,12-dihydroxy-13-methoxy-6-methyl-2-oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,9,10-trione
5-hydroxy-3-(4-hydroxy-3-nitrophenyl)-4-(4-hydroxyphenyl)pyrrol-2-one
C16H10N2O6 (326.05388400000004)
2-amino-4-{[1-carboxy-2-(methylsulfanyl)methanesulfinylethyl]-c-hydroxycarbonimidoyl}butanoic acid
C10H18N2O6S2 (326.06062479999997)
7-methoxy-2-(6-methoxy-2h-1,3-benzodioxol-5-yl)chromen-4-one
methyl 6,10-dihydroxy-8-oxo-14-thiatetracyclo[7.6.1.0²,⁷.0¹³,¹⁶]hexadeca-1(15),2,4,6,9(16),10,12-heptaene-15-carboxylate
2-(2h-1,3-benzodioxol-5-yl)-5,7-dimethoxychromen-4-one
4-bromo-n-{3-[(4z)-2,5-dihydroxyimidazol-4-ylidene]propyl}-1h-pyrrole-2-carboxamide
1,2,6,7-tetrahydroxy-3-methyl-1h,2h,3h-cyclohexa[a]fluorene-4,11-dione
(3r,6r)-3-benzyl-6-(hydroxymethyl)-3,6-bis(methylsulfanyl)pyrazine-2,5-diol
(1r,9r,10s,14s)-3-bromo-12,14-dihydroxy-2,8,11,13-tetraazatetracyclo[7.6.0.0²,⁶.0¹⁰,¹⁴]pentadeca-3,5,11-trien-7-one
6-acetyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
5,10-dimethoxy-2,3-dihydro-1,4-dioxatetracene-6,11-dione
1,8-dihydroxy-3-methoxy-6-(2-oxopropyl)anthracene-9,10-dione
(1s,3r,6s)-8-[(1z)-1-bromoprop-1-en-1-yl]-6-hydroxy-4,4-dimethyl-5-oxatricyclo[4.4.0.0¹,³]dec-8-ene-7,10-dione
C14H15BrO4 (326.01536500000003)
(4e)-2-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxooxolane-3-carboxylic acid
5,10-dihydroxy-4-methoxy-1h-anthra[1,2-c]furan-3,6,11-trione
5-[(4-hydroxy-6-oxopyran-2-yl)methyl]-2-(2-oxopropyl)chromen-4-one
5-(2-hydroxypropan-2-yl)-16-methoxy-4,14-dioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1(9),3(7),5,10,12,15-hexaene-2,8-dione
11-hydroxy-15-methoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,9,11,14,16,18-hexaen-13-one
7,12-dihydroxy-13-methoxy-5-methyl-2-oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,9,10-trione
3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohex-1-ene-1-carboxylic acid
(1r,3s,6s)-8-[(1e)-1-bromoprop-1-en-1-yl]-6-hydroxy-4,4-dimethyl-5-oxatricyclo[4.4.0.0¹,³]dec-8-ene-7,10-dione
C14H15BrO4 (326.01536500000003)
7,9,12-trihydroxy-2,2-dimethyl-1,5-dioxatetraphen-10-one
(3r,4s,5r)-3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohex-1-ene-1-carboxylic acid
n-{8-[(acetyloxy)methyl]-3-oxophenoxazin-2-yl}ethanimidic acid
methyl 8-hydroxy-3-methoxy-1-methyl-9,10-dioxoanthracene-2-carboxylate
(3ar,4s,6ar)-3a-chloro-6a-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-4-hydroxy-tetrahydrocyclopenta[c]furan-1-one
C15H15ClO6 (326.05571199999997)