Exact Mass: 478.0778808
Exact Mass Matches: 478.0778808
Found 346 metabolites which its exact mass value is equals to given mass value 478.0778808,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Aureomykoin
A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06A - Antibiotics for topical use > D06AA - Tetracycline and derivatives J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01A - Tetracyclines > J01AA - Tetracyclines D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AA - Antibiotics D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic
4-Methoxyglucobrassicin
An indolylmethylglucosinolic acid that is glucobrassicin bearing a methoxy substituent at position 4 on the indole ring.
Neoglucobrassicin
Neoglucobrassicin, also known as MIMG, belongs to the class of organic compounds known as alkylglucosinolates. These are organic compounds containing a glucosinolate moiety that carries an alkyl chain. Outside of the human body, neoglucobrassicin has been detected, but not quantified in, several different foods, such as swedes, garden cress, Brussel sprouts, Chinese cabbages, and kohlrabis. This could make neoglucobrassicin a potential biomarker for the consumption of these foods. Neoglucobrassicin is widespread in Brassica species and found in the Cruciferae, Tovariaceae, Capparidaceae, and Resedaceae. Widespread in Brassica subspecies and found in the Cruciferae, Tovariaceae, Capparidaceae and Resedaceae
Metacycline hydrochloride
C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic
2-Palmitoyl/stearoyl-2-O-sulfo-alpha,alpha-trehalose
C15H26O15S (478.09923660000004)
Isorhamnetin 3-galactoside
Isorhamnetin 3-galactoside is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Isorhamnetin 3-galactoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Isorhamnetin 3-galactoside can be synthesized from beta-D-galactose. Isorhamnetin 3-galactoside can also be synthesized into isorhamnetin. Isorhamnetin 3-galactoside can be found in a number of food items such as caraway, common bean, almond, and green bean, which makes isorhamnetin 3-galactoside a potential biomarker for the consumption of these food products. Isorhamnetin 3-O-beta-D-galactopyranoside is a glycosyloxyflavone that is isorhamnetin substituted at position 3 by a beta-D-galactosyl residue. It has a role as a metabolite. It is a beta-D-galactoside, a monosaccharide derivative, a glycosyloxyflavone, a monomethoxyflavone and a trihydroxyflavone. It is functionally related to an isorhamnetin and a beta-D-galactose. Cacticin is a natural product found in Lysimachia patungensis, Artemisia igniaria, and other organisms with data available. A glycosyloxyflavone that is isorhamnetin substituted at position 3 by a beta-D-galactosyl residue.
Nepitrin
Nepitrin is a member of flavonoids and a glycoside. Nepitrin is a natural product found in Centaurea bracteata, Arnica longifolia, and other organisms with data available. Nepitrin is found in herbs and spices. Nepitrin is a constituent of rosemary (Rosmarinus officinalis) Constituent of rosemary (Rosmarinus officinalis). Nepitrin is found in herbs and spices and rosemary. Nepitrin, isolated from Scrophularia striata, possess significant anti-inflammatory and anti-arthritic activity[1][2]. Nepitrin, isolated from Scrophularia striata, possess significant anti-inflammatory and anti-arthritic activity[1][2].
Quercetin 3-O-glucuronide
Quercetin 3-O-glucuronide is a cocoa and tea metabolite in plasma and urine. Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid. Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid.
Alliumoside A
Present in onions. Isorhamnetin 4-glucoside is found in allium (onion), onion-family vegetables, and garden onion (variety). Isorhamnetin 4-glucoside is found in allium (onion). Isorhamnetin 4-glucoside is present in onion
2-O-(4-Hydroxycinnamoyl)-1-O-galloyl-beta-D-glucopyranoside
2-O-(4-Hydroxycinnamoyl)-1-O-galloyl-beta-D-glucopyranoside is found in green vegetables. 2-O-(4-Hydroxycinnamoyl)-1-O-galloyl-beta-D-glucopyranoside is isolated from Rheum species. Isolated from Rheum subspecies 2-O-(4-Hydroxycinnamoyl)-1-O-galloyl-beta-D-glucopyranoside is found in green vegetables.
Pedaliin
Pedaliin is found in fats and oils. Pedaliin is from leaves of Sesamum indicum (sesame
Isorhamnetin 7-glucoside
Isolated from various plants inc. Brassica napus (oilseed rape). Isorhamnetin 7-glucoside is found in sea-buckthornberry, german camomile, and brassicas. Isorhamnetin 7-glucoside is found in brassicas. Isorhamnetin 7-glucoside is isolated from various plants including Brassica napus (oilseed rape Brassicin, a natural Flavonoid, possesses radical scavenging activity[1]. Brassicin, a natural Flavonoid, possesses radical scavenging activity[1].
6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
3,4,5-trihydroxy-6-{[3,5,6-trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid
Estragonoside
Estragonoside is found in herbs and spices. Estragonoside is a constituent of Artemisia dracunculus (tarragon). Constituent of Artemisia dracunculus (tarragon). Estragonoside is found in herbs and spices.
6-{[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Pollenin B
Pollenin B is found in tea. Pollenin B is isolated from the pollen of Camellia sinensis (tea). Isolated from the pollen of Camellia sinensis (tea). Pollenin B is found in tea.
1,3,5,8-Tetrahydroxy-6-methoxy-2-methylanthraquinone 8-O-b-D-glucoside
1,3,5,8-Tetrahydroxy-6-methoxy-2-methylanthraquinone 8-O-b-D-glucoside is found in fruits. 1,3,5,8-Tetrahydroxy-6-methoxy-2-methylanthraquinone 8-O-b-D-glucoside is isolated from Diospyros discolor (mabolo). Isolated from Diospyros discolor (mabolo). 1,3,5,8-Tetrahydroxy-6-methoxy-2-methylanthraquinone 8-O-b-D-glucoside is found in fruits.
Eupafolin 4'-glucoside
Eupafolin 4-glucoside is found in herbs and spices. Eupafolin 4-glucoside is a constituent of rosemary (Rosmarinus officinalis). Constituent of rosemary (Rosmarinus officinalis). Eupafolin 4-glucoside is found in herbs and spices.
Azaleatin 3-glucoside
Azaleatin 3-glucoside is found in nuts. Azaleatin 3-glucoside is isolated from apples and pecan nuts. Isolated from pecan nuts Carya pecan and apples. Azaleatin 3-galactoside is found in pomes and nuts.
8-Hydroxyluteolin 4'-methyl ether 8-glucoside
8-Hydroxyluteolin 4-methyl ether 8-glucoside is found in herbs and spices. 8-Hydroxyluteolin 4-methyl ether 8-glucoside is isolated from Althaea officinalis (marsh mallow). Isolated from Althaea officinalis (marsh mallow). 8-Hydroxyhesperetin 8-glucoside is found in tea, herbs and spices, and root vegetables.
6-{[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4-oxo-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Quercetin-4'-glucuronide
Quercetin-4-glucuronide is found in fruits, a constituent of guava. It is a metabolite of the dietary flavonols found in urine.
6-Methoxyluteolin 3'-glucoside
6-Methoxyluteolin 3-glucoside is found in herbs and spices. 6-Methoxyluteolin 3-glucoside is a constituent of rosemary Rosmarinus officinalis. Constituent of rosemary Rosmarinus officinalis. 6-Methoxyluteolin 3-glucoside is found in herbs and spices.
Hesperetin 3'-O-glucuronide
Hesperetin 3-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Hesperetin 7-O-glucuronide
Hesperetin 7-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Quercetin 3'-O-glucuronide
Quercetin 3-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Hesperetin 5-glucuronide
AUREOMYCIN
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents
Cefcanel
C19H18N4O5S3 (478.04392980000006)
Chembl456066
Edta citrate
5-Methoxyglucobrassicin
5-methoxyglucobrassicin is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. 5-methoxyglucobrassicin is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 5-methoxyglucobrassicin can be found in broccoli, cauliflower, and kohlrabi, which makes 5-methoxyglucobrassicin a potential biomarker for the consumption of these food products.
Lappaphen A
C27H26O4S2 (478.12724360000004)
Lappaphen b belongs to guaianolides and derivatives class of compounds. Those are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative. Lappaphen b is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Lappaphen b can be found in burdock, which makes lappaphen b a potential biomarker for the consumption of this food product.
Isorhamnetin 3-beta-D-glucoside
Isorhamnetin 3-beta-d-glucoside, also known as isorhamnetin-3-glu, is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Isorhamnetin 3-beta-d-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Isorhamnetin 3-beta-d-glucoside can be synthesized from beta-D-glucose. Isorhamnetin 3-beta-d-glucoside can also be synthesized into isorhamnetin. Isorhamnetin 3-beta-d-glucoside can be found in sea-buckthornberry, which makes isorhamnetin 3-beta-d-glucoside a potential biomarker for the consumption of this food product. Isorhamnetin 3-beta-d-glucoside may be a unique S.cerevisiae (yeast) metabolite. Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1]. Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1].
Riboflavin 5'-phosphate, sodium
C17H20N4NaO9P (478.08655600000003)
It is used as a food additive . Riboflavin phosphate sodium (FMN-Na) is a derivative of Riboflavin (vitamin B2) which is an essential nutrient for animals. Riboflavin phosphate sodium can be used for the research of progressive keratoconus, corneal ectasia and irregular astigmatism[1][2]. Riboflavine phosphate sodium is a very effective NAD+-recycling agent[3].
4-Methoxyglucobrassicin
4-methoxyglucobrassicin is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. 4-methoxyglucobrassicin is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 4-methoxyglucobrassicin can be found in a number of food items such as broccoli, chinese mustard, chinese cabbage, and capers, which makes 4-methoxyglucobrassicin a potential biomarker for the consumption of these food products.
7-methylsulfinylheptyl glucosinolate
C15H28NO10S3 (478.08752880000003)
7-methylsulfinylheptyl glucosinolate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 7-methylsulfinylheptyl glucosinolate can be found in a number of food items such as kumquat, chinese cabbage, medlar, and banana, which makes 7-methylsulfinylheptyl glucosinolate a potential biomarker for the consumption of these food products.
Querciturone
Acquisition and generation of the data is financially supported in part by CREST/JST. Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid. Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid.
Miquelianin
Miquelianin is a quercetin O-glycoside that consists of quercetin attached to a beta-D-glucuronopyranosyl moiety at position 3 via a glycosidic linkage. Isolated from Salvia and Phaseolus vulgaris, it exhibits antioxidant and antidepressant activities. It has a role as a metabolite, an antioxidant and an antidepressant. It is a beta-D-glucosiduronic acid and a quercetin O-glycoside. quercetin 3-O-glucuronide is a natural product found in Theobroma grandiflorum, Eucalyptus cypellocarpa, and other organisms with data available. See also: Bilberry (part of); Theobroma grandiflorum seed (part of). A quercetin O-glycoside that consists of quercetin attached to a beta-D-glucuronopyranosyl moiety at position 3 via a glycosidic linkage. Isolated from Salvia and Phaseolus vulgaris, it exhibits antioxidant and antidepressant activities. Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid. Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid.
3-Glucosylisorhamnetin
Isorhamnetin 3-O-beta-D-glucopyranoside is a glycosyloxyflavone that is isorhamnetin substituted at position 3 by a beta-D-glucosyl residue. It has a role as a metabolite. It is a monosaccharide derivative, a glycosyloxyflavone, a monomethoxyflavone, a trihydroxyflavone and a beta-D-glucoside. It is functionally related to an isorhamnetin and a beta-D-glucose. isorhamnetin-3-O-glucoside is a natural product found in Astragalus varius, Phoenix canariensis, and other organisms with data available. Isorhamnetin 3-O-glucoside is a metabolite found in or produced by Saccharomyces cerevisiae. See also: Ginkgo (part of). A glycosyloxyflavone that is isorhamnetin substituted at position 3 by a beta-D-glucosyl residue. Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1]. Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1].
Methyl paederosidate
C19H26O12S (478.11449160000006)
Paederosidic acid methyl ester is a natural product found in Paederia scandens and Paederia foetida with data available. Paederosidic acid methyl ester is a ATP‐sensitive K+ channel activator, isolated from P.?scandens. Paederosidic acid methyl ester exhibits significant central analgesic activity, and enhances the threshold of pain by activating ATP‐sensitive K+ channel in the brain and spinal cord level[1]. Paederosidic acid methyl ester is a ATP‐sensitive K+ channel activator, isolated from P.?scandens. Paederosidic acid methyl ester exhibits significant central analgesic activity, and enhances the threshold of pain by activating ATP‐sensitive K+ channel in the brain and spinal cord level[1].
Mearnsitrin
5,2,4,5-Tetrahydroxy-7-methoxy-4-phenylcoumarin 5-O-glucoside
Quercetin 3-methyl ether 5-glucoside
Tamarixetin 3-galactoside
3,4-Dihydro-3-methoxypaederoside
C19H26O12S (478.11449160000006)
Isoetin 4-glucuronide
6-Hydroxykaempferol 4-methyl ether 7-glucoside
Isorhamnetin 5-galactoside
Paederosidic acid methyl ester
C19H26O12S (478.11449160000006)
Paederosidic acid methyl ester is a ATP‐sensitive K+ channel activator, isolated from P.?scandens. Paederosidic acid methyl ester exhibits significant central analgesic activity, and enhances the threshold of pain by activating ATP‐sensitive K+ channel in the brain and spinal cord level[1]. Paederosidic acid methyl ester is a ATP‐sensitive K+ channel activator, isolated from P.?scandens. Paederosidic acid methyl ester exhibits significant central analgesic activity, and enhances the threshold of pain by activating ATP‐sensitive K+ channel in the brain and spinal cord level[1].
14S-Bromo-1S-hydroxy-1,2,13,14-tetrahydrosphaerococcenol A
5,6,7,4-Tetrahydroxy-8-methoxyisoflavone 7-O-glucoside
8-C-Rhamnosyleuropetin
Quercetin 5-glucuronide
Miquelianin
Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid. Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid.
Rhamnetin 3-glucoside
Tamarixin
Isorhamnetin 3-galactoside
Isorhamnetin 3-glucoside
Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1]. Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1].
Nepitrin
Nepitrin, isolated from Scrophularia striata, possess significant anti-inflammatory and anti-arthritic activity[1][2]. Nepitrin, isolated from Scrophularia striata, possess significant anti-inflammatory and anti-arthritic activity[1][2].
Nepetin 4-glucoside
Quercetin 4-glucuronide
6-O-[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]-1-O-(3,4,5-trihydroxybenzoyl)hexopyranose
3,15-dibromo-7,12,16-trihydroxyisopimar-9(11)-ene|3,15-Dibromo-9(11)-isopimarene-7,16-diol-12alpha-Hydroxy
2-O-beta-D-glycopyranosyl-1,2,4,8-tetrahydroxy-6-methoxy-3-methylanthraquinone
(S)-(-)-5,7,3,5-tetrahydroxyflavanone 7-O-(methyl beta-D-glucopyranosiduronate)|garccowaside C
3-O-methylellagic acid 4-O-(beta-D-glucoside)|3-O-methylellagic acid 4-glucoside
ophioglonol 4-O-beta-D-glucopyranoside
A homoflavonoid glycoside that is ophioglonol attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage. It has been isolated from Ophioglossum pedunculosum.
3-methoxyellagic acid 4-O-beta-D-1C4-glucopyranoside|3-O-methylellagic acid 4-O-beta-D-glucopyranoside
1,2:4,5-Di-O-isopropylidene,3-brosyl-Muco-Inositol
4-O-(6-O-galloyl-beta-D-glucopyranosyl)-cis-p-coumaric acid|4-O-(6-O-Galloyl-??-D-glucopyranosyl)-cis-p-coumaric acid
ophioglonol 7-O-beta-D-glucopyranoside|pedunculosumoside G
5,7,3,4-tetrahydroxy-6-methoxy-8-C-beta-D-glucopyranosyl flavonoside
quercetin 3-O-beta-D-glucuronopyranosylmethyl ester
(1S)-1,5-anhydro-1-C-[3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-D-glucitol|flemiphilippininside
(3-[3-hydroxy-5-methoxyphenyl]-5-methoxy-7-oxo-3,7-dihydro-2H-[1,4]dioxino[2,3-c]xanthen-2-yl)methyl acetate|hypericorin A
11-O-beta-D-glucopyranosyloxy-5-methoxy-6-oxabenzochrysen-1-one|haemodoroxychrysenose
11-O-deacetylpinnaterpene C|rel-(1R,3aR,4R,7S,7aR,9S)-4-bromo-1-{[(1R,4R)-4-bromo-1-hydroxy-3,3-dimethylcyclohexyl]methyl}-octahydro-7-methyl-7,3a-(epoxymethano)-3aH-inden-9-ol
5,7,3,4-tetrahydroxyflavone 2-O-beta-D-glucopyranuronide
7-Me ether-3,3,4,5,5,7-Hexahydroxy-8-rhamnopyranosylflavone
Eriodictyl 7-O-??-D-(6-methyl ester)-glucuronopyranoside
1-O-[(E)-p-coumaroyl]-3-O-galloyl-beta-D-glucopyranose|beta-D-glucopyranose 1-[(2E)-3-(4-hydroxyphenyl)prop-2-enoate] 3-(3,4,5-trihydroxybenzoate)
3-hydroxytectoridin|4H-1-benzopyran-4-one, 3-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-7-(beta-D-glucopyranosyloxy)-|Ordoritin-glucoside
(-)-shikimic acid 3,4-O-digallate|3,4-Di-O-galloylshikimic acid
CCG-100602
CCG-100602 is a specific inhibitor of myocardin-related transcription factor A/serum response factor (MRTF-A/SRF) signaling. CCG-100602 specifically block MRTF-A nuclear localization and thus inhibit the fibrogenic transcription factor SRF[1][2].
Stachyanthuside A
Stachyanthuside A is a natural product found in Eucalyptus globulus with data available.
Brassicin
Isorhamnetin 7-O-beta-D-glucopyranoside is a glycosyloxyflavone that is isorhamnetin substituted at position 7 by a beta-D-glucosyl residue. It has a role as a metabolite. It is a beta-D-glucoside, a glycosyloxyflavone, a monomethoxyflavone, a monosaccharide derivative and a trihydroxyflavone. It is functionally related to a beta-D-glucose and an isorhamnetin. Isorhamnetin 7-glucoside is a natural product found in Salix caprea, Sedum acre, and other organisms with data available. A glycosyloxyflavone that is isorhamnetin substituted at position 7 by a beta-D-glucosyl residue. Brassicin, a natural Flavonoid, possesses radical scavenging activity[1]. Brassicin, a natural Flavonoid, possesses radical scavenging activity[1].
Pedaliin
Pedaliin is a member of flavonoids and a glycoside. Pedaliin is a natural product found in Pterogyne nitens, Dracocephalum tanguticum, and Sesamum indicum with data available.
Chlortetracycline
A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06A - Antibiotics for topical use > D06AA - Tetracycline and derivatives J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01A - Tetracyclines > J01AA - Tetracyclines A member of the class of tetracyclines with formula C22H23ClN2O8 isolated from Streptomyces aureofaciens. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AA - Antibiotics D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 3680
4-Methoxy-3-indolylmethyl glucosinolate
Acquisition and generation of the data is financially supported by the Max-Planck-Society
quercetin 3-O-glucuronide
Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid. Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid.
Isorhamnetin-3-O-glucoside
Isorhamnetin 3-o-b-d-glucopyranoside, also known as isorhamnetin-3-O-galactoside, is a member of the class of compounds known as flavonoid-3-o-glycosides. Flavonoid-3-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Thus, isorhamnetin 3-o-b-d-glucopyranoside is considered to be a flavonoid lipid molecule. Isorhamnetin 3-o-b-d-glucopyranoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Isorhamnetin 3-o-b-d-glucopyranoside can be found in a number of food items such as common grape, caraway, ginkgo nuts, and grape wine, which makes isorhamnetin 3-o-b-d-glucopyranoside a potential biomarker for the consumption of these food products. Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1]. Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1].
isorhamnetin 3-O-glucoside
Acquisition and generation of the data is financially supported in part by CREST/JST. Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1]. Isorhamnetin-3-O-glucoside, a natural compound widely contained in many vegetables and rice, could be metabolized in intestinal microbiota after digestion[1].
quercetin-3-glucuronide
Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid. Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid.
(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-7-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
[3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate
(3R,4R,5R)-3-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid
5,7-dihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-methoxychromen-4-one
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
(3R,4S,5R)-4-hydroxy-3,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid
Isorhamnetin 3-O-galactoside
QUERCETIN GLUCURONIDE
Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid. Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid.
Quercetin 3-glucuronide
Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid. Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid.
Neoglucobrassicin
An indolyl carbohydrate that is glucobrassicin methoxy substituted at position 1 of the indole moiety.
QUERCETIN-3-O-GLUCURONIDE
Annotation level-1 Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid. Miquelianin (Quercetin 3-O-glucuronide) is a metabolite of quercetin and a type of natural flavonoid.
4-Methoxyglucobrassicin (4-Methoxy-3-indolylmethyl glucosinolate)
Neoglucobrassicin (1-Methoxy-3-indolylmethyl glucosinolate)
[3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate
2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-7-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
(3R,4R,5R)-3-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid [IIN-based: Match]
5,7-dihydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-methoxychromen-4-one [IIN-based: Match]
2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one [IIN-based: Match]
(3R,4R,5R)-3-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid [IIN-based on: CCMSLIB00000848156]
[3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate_major
[3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate_26.4\\%
[3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate_54.5\\%
Asp Asp Asp Asp
GW 590735
C23H21F3N2O4S (478.11740620000006)
Quercetin-4-glucuronide
Estragonoside
Alliumoside A
2-O-(4-Hydroxycinnamoyl)-1-O-galloyl-b-D-glucopyranoside
1-Methoxy-4-phenylpyridinium iodide
Pollenin B
6-Methoxyluteolin 3'-glucoside
Nepetin 4'-glucoside
Quercetin 3'-glucuronide
N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)phenyl]acetamide
N-(3,5-dichlorophenyl)-4-[(5E)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
AZD-7547
C19H18ClF3N2O5S (478.05770040000004)
1,5-Bis(2-carboxyanilino)anthraquinone
2-Mercaptobenzothiazolyl-(Z)-(2-aminothiazol-4-yl)-2-(tert-butoxycarbonyl) isopropoxyiminoacetate
C20H22N4O4S3 (478.08031320000003)
4-[[(4-hydroxy-3-methoxyphenyl)-(4-sulfamoylanilino)methyl]amino]benzenesulfonamide
(6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C19H18N4O5S3 (478.04392980000006)
sodium 1-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]-2-methylpropane-2-sulphonate
C19H20ClN2NaO5S2 (478.03998200000007)
2-amino-4-[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile
3,4-Dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid
Beigene-283
C25H17F3N4O3 (478.12526879999996)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2336 - Raf Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor Lifirafenib (BGB-283) is a novel and potent Raf Kinase and EGFR inhibitor with IC50 values of 23 and 29 nM for recombinant BRafV600E and EGFR, respectively.
2-Methyl-2-(4-((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxamido)methyl)phenoxy)propanoic acid
C23H21F3N2O4S (478.11740620000006)
Riboflavin sodium phosphate
C17H20N4NaO9P (478.08655600000003)
D018977 - Micronutrients > D014815 - Vitamins Riboflavin phosphate sodium (FMN-Na) is a derivative of Riboflavin (vitamin B2) which is an essential nutrient for animals. Riboflavin phosphate sodium can be used for the research of progressive keratoconus, corneal ectasia and irregular astigmatism[1][2]. Riboflavine phosphate sodium is a very effective NAD+-recycling agent[3].
Pedunculosumoside G
A homoflavonoid glycoside that is ophioglonol attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has been isolated from Ophioglossum pedunculosum.
(3R,4R,5R)-3-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]cyclohexene-1-carboxylic acid
2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
isorhamnetin 4-O-beta-D-glucopyranoside
A glycosyloxyflavone that is isorhamnetin substituted at position 4 by a beta-D-glucosyl residue.
3-O-methyltricetin 3-O-alpha-L-rhamnopyranoside
A glycosyloxyflavone that is 3-O-methyltricetin substituted by an alpha-L-rhamnopyranosyl residue at position 3.
Myricitrin-5-methyl ether
A monomethoxyflavone that is the 5-methyl ether derivative of myricitrin. Isolated from Rhododendron yedoense var poukhanense, it exhibits antioxidant activity.
7-(Methylsulfinyl)heptyl-glucosinolate
C15H28NO10S3- (478.08752880000003)
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(4-methoxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate
7-methylsulfinylheptyl glucosinolate
C15H28NO10S3- (478.08752880000003)
3-L-methionyl-AMP
An L-methionine derivative that is the ester obtained by formal condensation of the carboxy group of L-methionine with the 3-hydroxy group of AMP.
4-Methylsulfonylbenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
2-methyl-5-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]-3-benzofurancarboxylic acid butyl ester
N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide
C22H20Cl2N2O4S (478.05207800000005)
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(9,10-dioxo-2-anthracenyl)acetamide
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide
C21H19ClN2O5S2 (478.04238740000005)
isorhamnetin 7-O-beta-L-glucopyranoside
A glycosyloxyflavone that is isorhamnetin substituted at position 7 by a beta-L-glucosyl residue.
isorhamnetin 3-O-beta-L-glucopyranoside
A glycosyloxyflavone that is isorhamnetin substituted at position 3 by a beta-L-glucosyl residue.
N-(4-ethoxyphenyl)-4-[[4-(methylthio)phenyl]sulfonylamino]benzenesulfonamide
C21H22N2O5S3 (478.06908020000003)
1-[1-chloro-2-[(2-nitrophenyl)thio]-4-phenyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-8-yl]ethanone
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2,4,6-trifluorophenyl)sulfonylpiperazine
(4S,4aS,6S,12aS)-7-chloro-4-(dimethylamino)-6,10,12a-trihydroxy-6-methyl-1,3,11,12-tetraoxo-4a,5,5a,11a-tetrahydro-4H-tetracene-2-carboxamide
isorhamnetin 3-O-beta-L-galactopyranoside
A glycosyloxyflavone that is isorhamnetin substituted at position 3 by a beta-L-galactosyl residue.
isorhamnetin 4-O-beta-L-glucopyranoside
A glycosyloxyflavone that is isorhamnetin substituted at position 4 by a beta-L-glucosyl residue.
ICR 340 dihydrochloride
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds
(4S,4aS,5aR,6S,12aS)-7-chloro-4-(dimethylamino)-6,10,12a-trihydroxy-6-methyl-1,3,11,12-tetraoxo-4a,5,5a,11a-tetrahydro-4H-tetracene-2-carboxamide
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
2-O-(4-Hydroxycinnamoyl)-1-O-galloyl-beta-D-glucopyranoside
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(4-methoxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate
3-O-methylquercetin-7-O-beta-D-glucopyranoside
A quercetin O-glucoside that is 3-O-methylquercetin attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It has been isolated from Ophioglossum pedunculosum and Lepisorus contortus.
Belvarafenib
Belvarafenib (HM95573) is a potent and pan RAF (Rapidly Accelerated Fibrosarcoma) inhibitor, with IC50s of 56 nM, 7 nM and 5 nM for B-RAF, B-RAFv600E and C-RAF respectively[1].
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-4-one
3,5,6-trihydroxy-2-(4-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
methyl 5-hydroxy-7-({[(methylsulfanyl)carbonyl]oxy}methyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylate
C19H26O12S (478.11449160000006)
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
5,7-dihydroxy-2-(3-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-6-methoxychromen-4-one
2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-7-{[(2s,3r,4s,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methoxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
5,7-dihydroxy-2-(3-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-(hydroxymethyl)chromen-4-one
2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-7-methoxy-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one
(2s,3r,4s,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl (2s,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
3-{[(2s,3r,4r,5r)-5-[(1s)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
5,6-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
(1s,3s,4s,4as,6s,8s,8as,10as)-1-bromo-8a-(bromomethyl)-8-isopropyl-4,10a-dimethyl-2,3,4a,6,7,8,9,10-octahydro-1h-phenanthrene-3,4,6-triol
5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}chromen-4-one
(3r,4r,5r)-3-hydroxy-4,5-bis(3,4,5-trihydroxybenzoyloxy)cyclohex-1-ene-1-carboxylic acid
1-bromo-8a-(bromomethyl)-8-isopropyl-4,10a-dimethyl-2,3,4a,4b,5,8,9,10-octahydro-1h-phenanthrene-3,4,5-triol
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl (2s,3s,4s,5r,6s)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
(2s,3s,4s,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-4-oxochromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-4-one
5,6-dihydroxy-2-(hydroxymethyl)-1-methoxy-3-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}anthracene-9,10-dione
4-{[6-({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxybenzoic acid
2-(3,4-dihydroxyphenyl)-5,8-dihydroxy-7-methoxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-4-one
(3s,3ar,6as,9ar,9br)-3-hydroxy-6,9-dimethylidene-3-{2-oxo-2-[5'-(prop-1-yn-1-yl)-[2,2'-bithiophen]-5-yl]ethyl}-octahydroazuleno[4,5-b]furan-2-one
C27H26O4S2 (478.12724360000004)