Exact Mass: 612.1955
Exact Mass Matches: 612.1955
Found 301 metabolites which its exact mass value is equals to given mass value 612.1955,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Novobiocin
Novobiocin is only found in individuals that have used or taken this drug. It is an antibiotic compound derived from Streptomyces niveus. It has a chemical structure similar to coumarin. Novobiocin binds to DNA gyrase, and blocks adenosine triphosphatase (ATPase) activity. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p189) [PubChem]Novobiocin is an aminocoumarin. Aminocoumarins are very potent inhibitors of bacterial DNA gyrase and work by inhibiting the GyrB subunit of the enzyme involved in energy tranduction. Novobiocin as well as the other aminocoumarin antibiotics act as competitive inhibitors of the ATPase reaction catalysed by GyrB. D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic CONFIDENCE standard compound; INTERNAL_ID 1168 CONFIDENCE standard compound; INTERNAL_ID 1167 Novobiocin (Albamycin) is a potent and orally active antibiotic. Novobiocin also is a DNA gyrase inhibitor and a heat shock protein 90 (Hsp90) antagonist. Novobiocin has the potential for the research of highly beta-lactam-resistant pneumococcal infections. Novobiocin shows anti-orthopoxvirus activity[1][2][3][4][6].
Oxidized glutathione
Oxidized glutathione, also known as glutathione disulfide or GSSG, belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by the formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. In humans, oxidized glutathione is involved in the metabolic disorder called leukotriene C4 synthesis deficiency pathway. Outside of the human body, oxidized glutathione has been detected, but not quantified in several different foods, such as leeks, star anises, mamey sapotes, climbing beans, and common persimmons. Oxidized glutathione is a glutathione dimer formed by a disulfide bond between the cysteine sulfhydryl side chains during the course of being oxidized. Glutathione participates in leukotriene synthesis and is a cofactor for the enzyme glutathione peroxidase. It is also important as a hydrophilic molecule that is added to lipophilic toxins and waste in the liver during biotransformation before they can become part of the bile. Glutathione is also needed for the detoxification of methylglyoxal, a toxin produced as a by-product of metabolism. This detoxification reaction is carried out by the glyoxalase system. Glyoxalase I (EC 4.4.1.5) catalyzes the conversion of methylglyoxal and reduced glutathione into S-D-lactoyl-glutathione. Glyoxalase II (EC 3.1.2.6) catalyzes the hydrolysis of S-D-lactoyl-glutathione into glutathione and D-lactate. Glutathione disulfide (GSSG) - oxidized glutathione - is a disulfide derived from two glutathione molecules. In living cells, glutathione disulfide is reduced into two molecules of glutathione with reducing equivalents from the coenzyme NADPH. This reaction is catalyzed by the enzyme glutathione reductase. [Wikipedia]. Glutathione disulfide is found in many foods, some of which are jute, millet, malabar plum, and acorn. [Spectral] Glutathione disulfide (exact mass = 612.15196) and 3,4-Dihydroxy-L-phenylalanine (exact mass = 197.06881) and AMP (exact mass = 347.06308) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. [Spectral] Glutathione disulfide (exact mass = 612.15196) and AMP (exact mass = 347.06308) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID G008; [MS2] KO008986 C26170 - Protective Agent KEIO_ID G008 Glutathione oxidized (L-Glutathione oxidized) is produced by the oxidation of glutathione. Detoxification of reactive oxygen species is accompanied by production of glutathione oxidized. Glutathione oxidized can be used for the research of sickle cells and erythrocytes[1][2]. Glutathione oxidized (GSSG) is produced by the oxidation of glutathione. Detoxification of reactive oxygen species is accompanied by production of glutathione oxidized. Glutathione oxidized can be used for the research of sickle cells and erythrocytes[1].
Protochlorophyllide
Protochlorophyllide is found in fruits. Protochlorophyllide is isolated from the seed husks of Cucurbita pepo Chlorophyll itself is bound to proteins and can transfer the absorbed energy in the required direction. Protochlorophyllide, differently, mostly occurs in the free form and under light conditions acts as photosensitizer, forming highly toxic free radicals. Hence plants need an efficient mechanism of regulating the amount of chlorophyll precursor. In angiosperms, this is done at the step of D-Aminolevulinic acid (ALA), one of the intermediate compounds in the biosynthesis pathway. Plants that are fed by ALA accumulate high and toxic levels of protochlorophyllide, so do the mutants with the damaged regulatory system. Despite of numerous past attempts to find the mutant that overacumulates protochlorophyllide under usual conditions, only one such gene (flu) is currently (2009) known. Flu (first described in ) is a nuclear - encoded, chloroplast - located protein that appears containing only protein - protein interaction sites. It is currently not know which other proteins interact through this linker. The regulatory protein is a transmembrane protein that is located in the thylakoid membrane. Later it was discovered that Tigrina mutants in barley, known long time ago, are also mutated in the same gene It is not obvious why no mutants of any other gene were observed; maybe mutations in other proteins, involved into the regulatory chain, are fatal. Flu is a single gene, not a member of the gene family. Protochlorophyllide , more accurate monovinyl protochlorophyllide, is an immediate precursor of chlorophyll a that lacks the phytol side chain of chlorophyll. Unlike chlorophyll, protochlorophyllide is highly fluorescent; mutants that accumulate it glow in red if irradiated by the blue lightIn Angiosperms, the last step, conversion of protochlorophyllide to chlorophyll, is light - dependent and such plants are pale (etiolated) if grown in the darkness. Gymnosperms, algae, and photosynthetic bacteria additionally have another, light - independent enzyme and grow green in the darkness as well. The enzyme that converts protochlorophyllide to chlorophyll is protochlorophyllide reductase , EC 1.3.1.33. There are two structurally unrelated proteins with this activity: the light - dependent and the dark - operative. The light dependent reductase needs light to operate. The dark - operative version is a completely different protein, consisting of three subunits that exhibit significant sequence similarity to the three subunits of nitrogenase, which catalyzes the formation of ammonia from dinitrogen. This enzyme might be evolutionary older but (being similar to nitrogenase) is highly sensitive to free oxygen and does not work if its concentration exceeds about 3 \\%. Hence the alternative, light dependent version needed to evolve
13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester
Neohesperidin dihydrochalcone
Neohesperidin dihydrochalcone is found in sweet orange. Intensely sweet, 612 times more sweet than sucrose. Acceptable daily intake: 5 mg/kg (1987). Neohesperidin dihydrochalcone is a permitted in EU at low concs. (=10 ppm) for certain applications, e.g. low-alcohol beer. Generally recognised as safe (GRAS) in the USA. Practical use limited by slow development of taste sensation and peculiar aftertaste Neohesperidin dihydrochalcone, sometimes abbreviated to neohesperidin DC or simply NHDC, is an artificial sweetener derived from citrus. The European Union approved NHDCs use as a sweetener in 1994. It has not been approved as a sweetener in the United States. It is sometimes said that NHDC is considered a Generally Recognized as Safe flavour enhancer by the Flavour and Extract Manufacturers Association, which is a trade group with no legal standing. NHDC has never appeared on the FDAs GRAS listing Intensely sweet, 612 times more sweet than sucrose. ADI 5 mg/kg (1987). Permitted in EU at low concs. (=10 ppm) for certain applications, e.g. low-alcohol beer. Generally recognised as safe (GRAS) in the USA. Practical use limited by slow development of taste sensation and peculiar aftertaste Neohesperidin dihydrochalcone is a synthetic glycoside chalcone, is added to various foods and beverages as a low caloric artificial sweetener. Neohesperidin dihydrochalcone is a synthetic glycoside chalcone, is added to various foods and beverages as a low caloric artificial sweetener.
Hydroxysafflor yellow A
Hydroxysafflor yellow A is found in fats and oils. Hydroxysafflor yellow A is a constituent of the flower petals of Carthamus tinctorius (safflower). Constituent of the flower petals of Carthamus tinctorius (safflower). Hydroxysafflor yellow A is found in fats and oils and herbs and spices. Hydroxysafflor yellow A is a flavonoid natural product isolated from the traditional Chinese medicine safflower and has anti-cancer activity. Hydroxysafflor yellow A is a flavonoid natural product isolated from the traditional Chinese medicine safflower and has anti-cancer activity.
Safflomin A
Safflomin A is found in fats and oils. Safflomin A is a pigment from safflower (Carthamus tinctorius Hydroxysafflor yellow A is a flavonoid natural product isolated from the traditional Chinese medicine safflower and has anti-cancer activity. Hydroxysafflor yellow A is a flavonoid natural product isolated from the traditional Chinese medicine safflower and has anti-cancer activity.
Carthamidin 6,7-diglucoside
Carthamidin 6,7-diglucoside is found in fats and oils. Carthamidin 6,7-diglucoside is a constituent of the flowers of Carthamus tinctorius (safflower). Constituent of the flowers of Carthamus tinctorius (safflower). Carthamidin 6,7-diglucoside is found in fats and oils and herbs and spices.
Aromadendrin 3,7-diglucoside
Aromadendrin 3,7-diglucoside is found in pulses. Aromadendrin 3,7-diglucoside is a constituent of broad bean (Vicia faba) leaves. Constituent of broad bean (Vicia faba) leaves. Aromadendrin 3,7-diglucoside is found in pulses.
cyclic RGD
N-(5-(5-(2,4-Dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl)-2,4-dimethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists
5,6,7,4'-Tetrahydroxyflavanone 6,7-diglucoside
5,6,7,4-tetrahydroxyflavanone 6,7-diglucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 5,6,7,4-tetrahydroxyflavanone 6,7-diglucoside can be found in safflower, which makes 5,6,7,4-tetrahydroxyflavanone 6,7-diglucoside a potential biomarker for the consumption of this food product.
ferrileghemoglobin
Ferrileghemoglobin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Ferrileghemoglobin can be found in a number of food items such as lotus, epazote, wax apple, and yellow bell pepper, which makes ferrileghemoglobin a potential biomarker for the consumption of these food products.
ferroleghemoglobin
Ferroleghemoglobin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Ferroleghemoglobin can be found in a number of food items such as blackcurrant, white mustard, mung bean, and garland chrysanthemum, which makes ferroleghemoglobin a potential biomarker for the consumption of these food products.
Sinensal-alpha
Safflomin A
Hydroxysafflor yellow A is a C-glycosyl compound that is 3,4,5-trihydroxycyclohexa-2,5-dien-1-one which is substituted by beta-D-glucosyl groups at positions 2 and 4, and by a p-hydroxycinnamoyl group at position 6. It is the main bioactive compound of a traditional Chinese medicine obtained from safflower (Carthamus tinctorius). It has a role as an anti-inflammatory agent, an antioxidant, a platelet aggregation inhibitor, an antineoplastic agent, a radical scavenger, an EC 3.2.1.48 (sucrose alpha-glucosidase) inhibitor, a neuroprotective agent and a plant metabolite. It is a C-glycosyl compound, a member of phenols, an enone and an enol. Hydroxysafflor Yellow A is a natural product found in Carthamus tinctorius with data available. Hydroxysafflor yellow A is a flavonoid natural product isolated from the traditional Chinese medicine safflower and has anti-cancer activity. Hydroxysafflor yellow A is a flavonoid natural product isolated from the traditional Chinese medicine safflower and has anti-cancer activity.
Neohesperidin_dihydrochalcone
Neohesperidin dihydrochalcone appears as off-white crystals or powder. Insoluble in water. (NTP, 1992) Neohesperidin dihydrochalcone is a member of the dihydrochalcones that is 3,2,4,6-tetrahydroxy-4-methoxydihydrochalcone attached to a neohesperidosyl residue at position 4 via glycosidic linkage. It is found in sweet orange. It has a role as an environmental contaminant, a xenobiotic, a plant metabolite and a sweetening agent. It is a neohesperidoside, a disaccharide derivative and a member of dihydrochalcones. Neohesperidin dihydrochalcone is a natural product found in Vicia faba, Citrus deliciosa, and Citrus reticulata with data available. A member of the dihydrochalcones that is 3,2,4,6-tetrahydroxy-4-methoxydihydrochalcone attached to a neohesperidosyl residue at position 4 via glycosidic linkage. It is found in sweet orange. Neohesperidin dihydrochalcone is a synthetic glycoside chalcone, is added to various foods and beverages as a low caloric artificial sweetener. Neohesperidin dihydrochalcone is a synthetic glycoside chalcone, is added to various foods and beverages as a low caloric artificial sweetener.
Safflomin
Hydroxysafflor yellow A is a C-glycosyl compound that is 3,4,5-trihydroxycyclohexa-2,5-dien-1-one which is substituted by beta-D-glucosyl groups at positions 2 and 4, and by a p-hydroxycinnamoyl group at position 6. It is the main bioactive compound of a traditional Chinese medicine obtained from safflower (Carthamus tinctorius). It has a role as an anti-inflammatory agent, an antioxidant, a platelet aggregation inhibitor, an antineoplastic agent, a radical scavenger, an EC 3.2.1.48 (sucrose alpha-glucosidase) inhibitor, a neuroprotective agent and a plant metabolite. It is a C-glycosyl compound, a member of phenols, an enone and an enol. Hydroxysafflor Yellow A is a natural product found in Carthamus tinctorius with data available. A C-glycosyl compound that is 3,4,5-trihydroxycyclohexa-2,5-dien-1-one which is substituted by beta-D-glucosyl groups at positions 2 and 4, and by a p-hydroxycinnamoyl group at position 6. It is the main bioactive compound of a traditional Chinese medicine obtained from safflower (Carthamus tinctorius). Hydroxysafflor yellow A is a flavonoid natural product isolated from the traditional Chinese medicine safflower and has anti-cancer activity. Hydroxysafflor yellow A is a flavonoid natural product isolated from the traditional Chinese medicine safflower and has anti-cancer activity.
Flavoplatycoside
GalNAcFucGlcNAcGA-I
[Chemical] Source; sea squirt H-antigen (limited periodate oxide)
GalNAcFucGlcNAcGA-II
[Chemical] Source; sea squirt H-antigen (limited periodate oxide)
Divinylprotochlorophyllide; 2,4-Divinylprotochlorophyllide; Mg-2,4-Divinyl-phaeoporphyrin a5-monomethylester; 3,8-Divinyl protochlorophyllide a
2,4,5-trihydroxy-4-methoxydihydrochalcone 3,5-di-O-beta-D-glucopyranoside
(S)-torosachrysone 8-O-beta-D-gentiobioside|torososachrysone 8-O-beta-gentiobioside
3,4,5-trimethoxyphenyl 1-O-beta-D-[5-O-(4-methoxybenzoyl)]apiofuranosyl-(1->6)-beta-D-glucopyranoside|3,4,5-Trimethoxyphenyl 1-O-??-D-[5-O-(4-methoxybenzoyl)]-apiofuranosyl-(1鈥樏傗垎6)-??-D-glucopyranoside
8-O-[6-O-(5-O-syringoyl-beta-D-apiofuranosyl)-beta-D-glucopyranosyl]-4-hydroxyphenylethyl alcohol|eryciboside H
3,4-dimethoxyphenyl 1-O-beta-D-[5-O-(3,4-dimethoxybenzoyl)]apiofuranosyl-(1->6)-beta-D-glucopyranoside
4-hydroxymethyl-2-methoxyphenyl 1-O-beta-D-[5-O-(3,4-dimethoxybenzoyl)]apiofuranosyl-(1->6)-beta-D-glucopyranoside
1-O-gentiobiosyl-3,7-dimethoxy-8-hydroxyxanthone|1-O-[beta-D-glucopyranosyl-(1?6)-beta-D-glucopyranosyl]-8-hydroxy-3,7-dimethoxyxanthone
1,8-Dihydroxy-3,7-dimethoxyxanthone-4-O-alpha-L-rhamnosyl (1->2)-O-beta-D-glucopyranoside
1-O-[beta?D-xylopyranosyl-(1?6)-beta?D-glucopyranosyl]-8-hydroxy-3,4,5-trimethoxyxanthone
8-O-[beta?D-xylopyranosyl-(1?6)-beta?D-glucopyranosyl]-1-hydroxy-3,4,5-trimethoxyxanthone
(7S,8S,7?S,8?R)-4,9,4?-trihydroxy-3,5,3?,5?,7?-pentamethoxy-7,9?-epoxylignan 9-O-beta-D-glucopyranoside|ligalbumoside B
9-(beta-D-glucopyranosyloxy)-3,5,3,5 -tetramethoxy-7,9-epoxylignane-4,4,7-triol|pseuderanoside
eriocauloside C|jaceosidin 7-O-beta-D-(6-O-p-hydroxybenzoyl)glucopyranoside
1-O-[beta-D-glucopyranosyl-(1?6)-beta-D-glucopyranosyl]-8-hydroxy-3,5-dimethoxyxanthone|kouitchenside H
nagilactone A 7-O-alpha-L-arabinopyranosyl-(1->4)-beta-D-xylopyranoside
1-O-[beta-D-xylopyranosyl-(1?6)-beta-D-glucopyranosyl]-7-hydroxy-3,4,8-trimethoxyxanthone|kouitchenside A
2-carbomethoxy-3-prenyl-1,4-naphthoquinone-1,4-di-O-beta-D-glucopyranoside
(+)-syringaresinol-O-beta-D-glucopyranoside|(7R,8R,7R,8R)-3,3,5,5-tetramethoxy-4,4-dihydroxy-7,9:7,9-diepoxylignan-4-O-beta-D-glucopyranoside|aketrilignoside A
2,4-dimethoxyphenyl 1-O-beta-D-[5-O-3,4-dimethoxybenzoyl)]-apiofuranosyl-(1->6)-beta-D-glucopyranoside
3,5-di-C-glucosyl-2,4,4,6-tetrahydroxydibenzoylmethane
FilixicacidABA
1-O-Gentiobiosyl-3,7-dimethoxy-8-hydroxyxanthone
Neohesperidin dihydrochalcone
CONFIDENCE standard compound; EAWAG_UCHEM_ID 2814 Neohesperidin dihydrochalcone is a synthetic glycoside chalcone, is added to various foods and beverages as a low caloric artificial sweetener. Neohesperidin dihydrochalcone is a synthetic glycoside chalcone, is added to various foods and beverages as a low caloric artificial sweetener.
L(-)-Glutathione
Formula(Parent): C20H32N6O12S2; Bottle Name:Glutathione (oxidized form); PRIME Parent Name:Glutathione Disulfide; PRIME in-house No.:0235; SubCategory_DNP: Peptides, Oligopeptides Glutathione oxidized (L-Glutathione oxidized) is produced by the oxidation of glutathione. Detoxification of reactive oxygen species is accompanied by production of glutathione oxidized. Glutathione oxidized can be used for the research of sickle cells and erythrocytes[1][2]. Glutathione oxidized (GSSG) is produced by the oxidation of glutathione. Detoxification of reactive oxygen species is accompanied by production of glutathione oxidized. Glutathione oxidized can be used for the research of sickle cells and erythrocytes[1].
Oxigluthione
Glutathione oxidized (L-Glutathione oxidized) is produced by the oxidation of glutathione. Detoxification of reactive oxygen species is accompanied by production of glutathione oxidized. Glutathione oxidized can be used for the research of sickle cells and erythrocytes[1][2]. Glutathione oxidized (GSSG) is produced by the oxidation of glutathione. Detoxification of reactive oxygen species is accompanied by production of glutathione oxidized. Glutathione oxidized can be used for the research of sickle cells and erythrocytes[1].
C27H32O16_beta-D-Glucopyranoside, 4-carboxy-2-methoxyphenyl 2-O-[(2S,3R,4S)-tetrahydro-3,4-dihydroxy-4-[[(4-hydroxy-3-methoxybenzoyl)oxy]methyl]-2-furanyl]
Glutathione (oxidized)
Glutathione oxidized (L-Glutathione oxidized) is produced by the oxidation of glutathione. Detoxification of reactive oxygen species is accompanied by production of glutathione oxidized. Glutathione oxidized can be used for the research of sickle cells and erythrocytes[1][2]. Glutathione oxidized (GSSG) is produced by the oxidation of glutathione. Detoxification of reactive oxygen species is accompanied by production of glutathione oxidized. Glutathione oxidized can be used for the research of sickle cells and erythrocytes[1].
Oxidized glutathione
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; YPZRWBKMTBYPTK_STSL_0172_Oxidized glutathione_8000fmol_180506_S2_LC02_MS02_115; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. Glutathione oxidized (L-Glutathione oxidized) is produced by the oxidation of glutathione. Detoxification of reactive oxygen species is accompanied by production of glutathione oxidized. Glutathione oxidized can be used for the research of sickle cells and erythrocytes[1][2]. Glutathione oxidized (GSSG) is produced by the oxidation of glutathione. Detoxification of reactive oxygen species is accompanied by production of glutathione oxidized. Glutathione oxidized can be used for the research of sickle cells and erythrocytes[1].
Novobiocin
D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents A coumarin-derived antibiotic obtained from Streptomyces niveus. C254 - Anti-Infective Agent > C258 - Antibiotic Origin: Microbe, Coumarins Novobiocin (Albamycin) is a potent and orally active antibiotic. Novobiocin also is a DNA gyrase inhibitor and a heat shock protein 90 (Hsp90) antagonist. Novobiocin has the potential for the research of highly beta-lactam-resistant pneumococcal infections. Novobiocin shows anti-orthopoxvirus activity[1][2][3][4][6].
Hydroxysaffloryellow A
Hydroxysafflor yellow A is a flavonoid natural product isolated from the traditional Chinese medicine safflower and has anti-cancer activity. Hydroxysafflor yellow A is a flavonoid natural product isolated from the traditional Chinese medicine safflower and has anti-cancer activity.
His Met Tyr Tyr
His Tyr Met Tyr
His Tyr Tyr Met
Met His Tyr Tyr
Met Asn Trp Tyr
Met Asn Tyr Trp
Met Trp Asn Tyr
Met Trp Tyr Asn
Met Tyr His Tyr
Met Tyr Asn Trp
Met Tyr Trp Asn
Met Tyr Tyr His
Asn Met Trp Tyr
Asn Met Tyr Trp
Asn Trp Met Tyr
Asn Trp Tyr Met
Asn Tyr Met Trp
Asn Tyr Trp Met
Trp Met Asn Tyr
Trp Met Tyr Asn
Trp Asn Met Tyr
Trp Asn Tyr Met
Trp Tyr Met Asn
Trp Tyr Asn Met
Tyr His Met Tyr
Tyr His Tyr Met
Tyr Met His Tyr
Tyr Met Asn Trp
Tyr Met Trp Asn
Tyr Met Tyr His
Tyr Asn Met Trp
Tyr Asn Trp Met
Tyr Trp Met Asn
Tyr Trp Asn Met
Tyr Tyr His Met
Tyr Tyr Met His
Carthamidin 6,7-diglucoside
Aromadendrin 3,7-diglucoside
(1S)-1,5-Anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-D-glucitol tetraacetate
1,3-diisocyanato-2-methylbenzene,2,4-diisocyanato-1-methylbenzene,hexanedioic acid,hexane-1,6-diol
N-[4-chloro-3-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]myristamide
R-3,3-Bis(4-(1,1-dimethylethyl)phenyl)-1,1-binaphthyl-2,2-diyl hydrogenphosphate
acetyloxymethyl 2-[4-[bis[2-oxo-2-(2-oxopropoxymethoxy)ethyl]amino]phenyl]-1H-indole-6-carboxylate
9-Phenyl-9-(4-phenyl-2-quinazolinyl)-3,3-bi-9H-carbazole
Hesperidin dihydrochalcone
Ralimetinib Mesylate
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
Ispinesib mesylate
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent
magnesium;3-[(11E,12R,21S,22S)-16-ethenyl-11-ethylidene-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxido-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,13(25),14,16,18,20(23)-decaen-22-yl]propanoate
magnesium;3-[(21S,22S)-16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxido-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),3,5(26),8,10(25),11,13,15,17,19-undecaen-22-yl]propanoate
1-(4-hydroxyphenyl)-3-[2,4,6-trihydroxy-3,5-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propane-1,3-dione
2,5,7-trihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3H-chromen-4-one
(6Z)-2,5-dihydroxy-6-[(Z)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2,4-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione
5-hydroxy-2-(4-hydroxyphenyl)-6,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-2,3-dihydrochromen-4-one
(6E)-2,5-dihydroxy-6-[(Z)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-4-[hydroxy-(3,4,5-trihydroxyoxan-2-yl)methyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione
eriodictoyl-7-O-sophoroside
A a disaccharide derivative consisting of eriodictyol beta-D-glucoside having a beta-D-glucosyl residue attached at the 2-position. Isolated from the aerial parts of Globularia alypum, it exhibits antioxidant activity.
1-[4-[[(2S,4S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)-1-propanone
(3S,3S,4R,5S)-7-bromo-5-[2-[4-(2-hydroxyethyl)-1-triazolyl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-1,3,5-trimethyl-2-spiro[indole-3,2-oxolane]one
4-[(4S,5R)-5-[[[(2-fluoroanilino)-oxomethyl]-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide
4-[(4S,5S)-5-[[[(2-fluoroanilino)-oxomethyl]-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide
4-[(4R,5R)-5-[[[(2-fluoroanilino)-oxomethyl]-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide
4-[(4S,5R)-5-[[[(2-fluoroanilino)-oxomethyl]-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide
4-[(4R,5S)-5-[[[(2-fluoroanilino)-oxomethyl]-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide
4-[(4R,5R)-5-[[[(2-fluoroanilino)-oxomethyl]-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide
4-[(4S,5S)-5-[[[(2-fluoroanilino)-oxomethyl]-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide
4-[(4R,5S)-5-[[[(2-fluoroanilino)-oxomethyl]-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-N,N-dimethylbenzamide
6-[3,5-Dihydroxy-2-[3-(3-hydroxyphenyl)propanoyl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[3-(3-oxo-3-{2,4,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}propyl)phenoxy]oxane-2-carboxylic acid
4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S)-3,4-dihydroxy-4-[(4-hydroxy-3-methoxybenzoyl)oxymethyl]oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-methoxybenzoic acid
N-[(2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-6-(2-oxoethoxy)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Oxiglutatione
C26170 - Protective Agent Glutathione oxidized (L-Glutathione oxidized) is produced by the oxidation of glutathione. Detoxification of reactive oxygen species is accompanied by production of glutathione oxidized. Glutathione oxidized can be used for the research of sickle cells and erythrocytes[1][2]. Glutathione oxidized (GSSG) is produced by the oxidation of glutathione. Detoxification of reactive oxygen species is accompanied by production of glutathione oxidized. Glutathione oxidized can be used for the research of sickle cells and erythrocytes[1].
N-(5-(5-(2,4-Dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl)-2,4-dimethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists
bacteriochlorophyllide g(2-)
A cyclic tetrapyrrole anion that is obtained from bacteriochlorophyllide g via deprotonation of the carboxy group and formation of a carbide ion. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
RO8994
RO8994 is a highly potent and selective MDM2 inhibitor with IC50 of nM (HTRF binding assay) and 20 nM (MTT proliferation assay).
4-(4-{[(2s,3r,4s,5s,6r)-3-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-methoxybenzoyloxy)-3-methoxybenzoic acid
[(3s,4r,5r)-5-{[(2r,3s,4s,5r,6s)-6-(2-acetyl-5-methoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4-dihydroxyoxolan-3-yl]methyl 3,4,5-trihydroxybenzoate
(2s,3s,4s,5s,6s)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4-dimethoxybenzoate
3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-1,6-dihydroxy-2,7-dimethoxyxanthen-9-one
6-hydroxy-3-methoxy-6-methyl-1-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-7,8-dihydro-5h-anthracene-9,10-dione
(3s)-3,9-dihydroxy-6-methoxy-3-methyl-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2,4-dihydroanthracen-1-one
{[(3r,4s,5r,6r)-6-{[3-(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-amido)-4-hydroxy-8-methyl-2-oxochromen-7-yl]oxy}-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl]oxy}methanimidic acid
(2r,3s,4r,5r,6s)-6-(2-acetyl-5-methoxyphenoxy)-2-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-4,5-dihydroxyoxan-3-yl 3,4,5-trihydroxybenzoate
7-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydro-1-benzopyran-4-one
8-hydroxy-3-methyl-1,6-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})tetraphene-7,12-dione
methyl 2,10,12,14-tetrakis(acetyloxy)-3,16-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-ene-9-carboxylate
(2s,3s,5s,7r,10r,11r)-19-[(2e,4e)-hexa-2,4-dienoyl]-3,14,15,18-tetrahydroxy-9-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-5,7,17-trimethyl-4-oxahexacyclo[11.8.0.0²,⁷.0³,¹¹.0⁵,¹⁰.0¹⁶,²¹]henicosa-1(21),13,15,17,19-pentaene-6,8,12-trione
2,5-dihydroxy-6-[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]-2-[(2s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione
2,13-bis(acetyloxy)-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl hexanoate
5-hydroxy-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
(1r,2r,3r,5r,7s,8r,11r,12s,13r,14s,15r,16r,17s,19r)-2,13-bis(acetyloxy)-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl hexanoate
[(6-{[3-(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-amido)-4-hydroxy-8-methyl-2-oxochromen-7-yl]oxy}-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl)oxy]methanimidic acid
2-{4-[3a,6a-dihydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-tetrahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
[(3s,4r,5r)-5-{[(2r,3s,4s,5r,6s)-6-{4-[(1r)-1,2-dihydroxyethyl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4-dihydroxyoxolan-3-yl]methyl 4-methoxybenzoate
1-o-gentiobiosyl-3,7-dimethoxy-8-hydroxy-xanthone
{"Ingredient_id": "HBIN002913","Ingredient_name": "1-o-gentiobiosyl-3,7-dimethoxy-8-hydroxy-xanthone","Alias": "NA","Ingredient_formula": "C27H32O16","Ingredient_Smile": "COC1=C(C2=C(C=C1)OC3=C(C2=O)C(=CC(=C3)OC)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)O","Ingredient_weight": "612.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8300","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11972355","DrugBank_id": "NA"}
2,4-dimethoxyphenol 1-o-β-d-[5-o-(3,4-di-methoxybenzoyl)]-apiofuranosyl-(1→6)-β-d-glucopyranoside
{"Ingredient_id": "HBIN004341","Ingredient_name": "2,4-dimethoxyphenol 1-o-\u03b2-d-[5-o-(3,4-di-methoxybenzoyl)]-apiofuranosyl-(1\u21926)-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C28H36O15","Ingredient_Smile": "COC1=CC(=C(C=C1)OC2C(C(C(C(O2)COC3C(C(CO3)(COC(=O)C4=CC(=C(C=C4)OC)OC)O)O)O)O)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6273","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2''-o-(3''',4'''-dimethoxybenzoyl)orientin
{"Ingredient_id": "HBIN006165","Ingredient_name": "2''-o-(3''',4'''-dimethoxybenzoyl)orientin","Alias": "NA","Ingredient_formula": "C30H28O14","Ingredient_Smile": "COC1=C(C=C(C=C1)C(=O)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)O)CO)O)O)OC","Ingredient_weight": "612.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6206","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21578039","DrugBank_id": "NA"}
(2r)-eriodictyol-7,4'-di-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN006542","Ingredient_name": "(2r)-eriodictyol-7,4'-di-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C27H32O16","Ingredient_Smile": "C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15297","TCMID_id": "7279","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4,5-trimethoxyphenyl 1-o-β-d-[5-o-(4-meth-oxybenzoyl)]-apiofuranosyl-(1→6)-β-d-gluco-pyranoside
{"Ingredient_id": "HBIN007302","Ingredient_name": "3,4,5-trimethoxyphenyl 1-o-\u03b2-d-[5-o-(4-meth-oxybenzoyl)]-apiofuranosyl-(1\u21926)-\u03b2-d-gluco-pyranoside","Alias": "NA","Ingredient_formula": "C28H36O15","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21911","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-dimethoxyphenyl 1-o-β-d-[5-o-(3,4-di-methoxybenzoyl)]-apiofuranosyl-(1→6)-β-d-glucopyranoside
{"Ingredient_id": "HBIN007436","Ingredient_name": "3,4-dimethoxyphenyl 1-o-\u03b2-d-[5-o-(3,4-di-methoxybenzoyl)]-apiofuranosyl-(1\u21926)-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C28H36O15","Ingredient_Smile": "COC1=CC(=C(C=C1)OC2C(C(C(C(O2)COC3C(C(CO3)(COC(=O)C4=CC(=C(C=C4)OC)OC)O)O)O)O)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6280","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxyxanthone
{"Ingredient_id": "HBIN013294","Ingredient_name": "7-hydroxyxanthone","Alias": "NA","Ingredient_formula": "C27H32O16","Ingredient_Smile": "COC1=C(C(=C(C2=C1OC3=C(C2=O)C=C(C=C3)O)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)O)O)O)O)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10831","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
