Exact Mass: 458.1273

Exact Mass Matches: 458.1273

Found 500 metabolites which its exact mass value is equals to given mass value 458.1273, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Epigallocatechin gallate

Benzoic acid, 3,4,5-trihydroxy-, 3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester, (2R-cis)-

C22H18O11 (458.0849)

Epigallocatechin gallate (EGCG) is the principal catechin in tea from Camellia sinensis, the most consumed beverage worldwide (after water). Depending on brew time and temperature, a single cup of green tea may contain 100-200 mg EGCG. To control the dose of EGCG administered in experimental studies, green tea solids (GTS) or capsules of green tea extract standardized to EGCG content are often employed. However, there is considerable variability in the EGCG content of commercially available dietary supplements, ranging from 12-143\\\\\\\\% of the tablet or capsule weight. While standardizing tea preparations to EGCG or using highly purified EGCG for research presents an important strategy for the conduct of precise studies as well as the ability to replicate experiments, it is worth noting this approach limits the potential contributions and possible synergy with other bioactive tea ingredients, including caffeine and other flavonoids. Human studies of the bioavailability of green tea catechins reveal these compounds to be poorly absorbed, with <0.1\\\\\\\\% of ingested catechins appearing in blood. Most ingested EGCG is rapidly cleared from blood with an elimination half-life of {approx}3 h and preferentially excreted via bile to the colon. The growing interest in the role of EGCG in health promotion and disease prevention is reflected by an exponential growth of research publications in this field. (J Am Coll Nutr. 2007 Aug;26(4):362S-365S). (-)-epigallocatechin 3-gallate is a gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin. It has a role as an antineoplastic agent, an antioxidant, a Hsp90 inhibitor, a neuroprotective agent, a plant metabolite, a geroprotector and an apoptosis inducer. It is a gallate ester, a polyphenol and a member of flavans. It is functionally related to a (-)-epigallocatechin. Epigallocatechin gallate has been investigated for the treatment of Hypertension and Diabetic Nephropathy. (-)-Epigallocatechin gallate is a natural product found in Limoniastrum guyonianum, Scurrula atropurpurea, and other organisms with data available. Epigallocatechin Gallate is a phenolic antioxidant found in a number of plants such as green and black tea. It inhibits cellular oxidation and prevents free radical damage to cells. It is under study as a potential cancer chemopreventive agent. (NCI) A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin. COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D020011 - Protective Agents > D016587 - Antimutagenic Agents D020011 - Protective Agents > D000975 - Antioxidants D000970 - Antineoplastic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 808; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2759; ORIGINAL_PRECURSOR_SCAN_NO 2758 CONFIDENCE standard compound; INTERNAL_ID 808; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2748; ORIGINAL_PRECURSOR_SCAN_NO 2746 CONFIDENCE standard compound; INTERNAL_ID 808; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2762; ORIGINAL_PRECURSOR_SCAN_NO 2760 ORIGINAL_ACQUISITION_NO 2759; CONFIDENCE standard compound; INTERNAL_ID 808; 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 2758 CONFIDENCE standard compound; INTERNAL_ID 808; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2759; ORIGINAL_PRECURSOR_SCAN_NO 2756 CONFIDENCE standard compound; INTERNAL_ID 808; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5920; ORIGINAL_PRECURSOR_SCAN_NO 5917 CONFIDENCE standard compound; INTERNAL_ID 808; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5910; ORIGINAL_PRECURSOR_SCAN_NO 5905 CONFIDENCE standard compound; INTERNAL_ID 808; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2828; ORIGINAL_PRECURSOR_SCAN_NO 2826 ORIGINAL_PRECURSOR_SCAN_NO 2760; CONFIDENCE standard compound; INTERNAL_ID 808; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2762 CONFIDENCE standard compound; INTERNAL_ID 808; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5924; ORIGINAL_PRECURSOR_SCAN_NO 5919 CONFIDENCE standard compound; INTERNAL_ID 808; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2754; ORIGINAL_PRECURSOR_SCAN_NO 2752 CONFIDENCE standard compound; INTERNAL_ID 179 Annotation level-1 (-)-Epigallocatechin Gallate (EGCG) is a major polyphenol in green tea, which can inhibit cell proliferation and induce cell apoptosis. (-)-Epigallocatechin Gallate inhibits glutamate dehydrogenase 1/2 (GDH1/2, GLUD1/2) activity. (-)-Epigallocatechin Gallate has a potent anticancer, antioxidant and anti-inflammatory properties against various types of cancers such as colorectal cancer, myeloid leukemia, thyroid carcinoma[1][2][3][4]. (-)-Epigallocatechin Gallate (EGCG) is a major polyphenol in green tea, which can inhibit cell proliferation and induce cell apoptosis. (-)-Epigallocatechin Gallate inhibits glutamate dehydrogenase 1/2 (GDH1/2, GLUD1/2) activity. (-)-Epigallocatechin Gallate has a potent anticancer, antioxidant and anti-inflammatory properties against various types of cancers such as colorectal cancer, myeloid leukemia, thyroid carcinoma[1][2][3][4]. (-)-Epigallocatechin Gallate (EGCG) is a major polyphenol in green tea, which can inhibit cell proliferation and induce cell apoptosis. (-)-Epigallocatechin Gallate inhibits glutamate dehydrogenase 1/2 (GDH1/2, GLUD1/2) activity. (-)-Epigallocatechin Gallate has a potent anticancer, antioxidant and anti-inflammatory properties against various types of cancers such as colorectal cancer, myeloid leukemia, thyroid carcinoma[1][2][3][4]. (-)-Epigallocatechin Gallate (EGCG) is a major polyphenol in green tea, which can inhibit cell proliferation and induce cell apoptosis. (-)-Epigallocatechin Gallate inhibits glutamate dehydrogenase 1/2 (GDH1/2, GLUD1/2) activity. (-)-Epigallocatechin Gallate has a potent anticancer, antioxidant and anti-inflammatory properties against various types of cancers such as colorectal cancer, myeloid leukemia, thyroid carcinoma[1][2][3][4]. (-)-Epigallocatechin Gallate (EGCG) is a major polyphenol in green tea, which can inhibit cell proliferation and induce cell apoptosis. (-)-Epigallocatechin Gallate inhibits glutamate dehydrogenase 1/2 (GDH1/2, GLUD1/2) activity. (-)-Epigallocatechin Gallate has a potent anticancer, antioxidant and anti-inflammatory properties against various types of cancers such as colorectal cancer, myeloid leukemia, thyroid carcinoma[1][2][3][4]. (-)-Epigallocatechin Gallate (EGCG) is a major polyphenol in green tea, which can inhibit cell proliferation and induce cell apoptosis. (-)-Epigallocatechin Gallate inhibits glutamate dehydrogenase 1/2 (GDH1/2, GLUD1/2) activity. (-)-Epigallocatechin Gallate has a potent anticancer, antioxidant and anti-inflammatory properties against various types of cancers such as colorectal cancer, myeloid leukemia, thyroid carcinoma[1][2][3][4].

Raltitrexed

(2S)-2-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}thiophen-2-yl)formamido]pentanedioic acid

C21H22N4O6S (458.126)

Raltitrexed is only found in individuals that have used or taken this drug. It is a chemotherapy drug manufactured AstraZeneca Company, is an antimetabolite used in chemotherapy. It is an inhibitor of thymidylate synthase.Raltitrexed is an antineoplastic Agents and folic acid antagonists. Raltitrexed inhibits thymidylate synthase (TS) leading to DNA fragmentation and cell death. It is transported into cells via a reduced folate carrier. Inside the cell Raltitrexed is extensively polyglutamated, which enhances thymidylate synthase inhibitory power and duration. Inhibition of this enzyme results in decreased synthesis of thymidine triphosphate which is required for DNA synthesis. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BA - Folic acid analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2021 - Thymidylate Synthase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents Same as: D01064

FMNH2

{[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy}phosphonic acid

C17H23N4O9P (458.1203)

FMNH2 is the reduced form of flavin mononucleotide. It is a substrate of the enzyme FMN reductase (EC 1.5.1.29), an enzyme that catalyzes the chemical reaction FMNH2 + NAD(P)+ <=> FMN + NAD(P)H + H+. Flavin mononucleotide (FMN), or riboflavin-5′-phosphate, is a biomolecule produced from riboflavin (vitamin B2) by the enzyme riboflavin kinase and functions as prosthetic group of various oxidoreductases including NADH dehydrogenase. During a catalytic cycle, the reversible interconversion of oxidized (FMN), semiquinone (FMNH•) and reduced (FMNH2) forms occurs in the various oxidoreductases. FMN is a stronger oxidizing agent than NAD and is particularly useful because it can take part in both one- and two-electron transfers. FMNH is a substrate for 2,4-dienoyl-CoA reductase (mitochondrial). [HMDB]

8-Demethyltetracenomycin C

C22H18O11 (458.0849)

A member of the class of tetracenes that is tetracenomycin C in which the methoxy group at position 3 is replaced by a phenolic OH.

I-123 BMIPP

I-123-beta-methyl-p-iodophenyl-methylpentadecanoic acid

C22H35IO2 (458.1682)

C1446 - Radiopharmaceutical Compound > C2124 - Radioconjugate Same as: D06608

5a,11a-Dehydrooxytetracycline

C22H22N2O9 (458.1325)

A member of the class of tetracyclines with formula C22H22N2O9 that is an intermediate in the biosynthesis of oxytetracycline by Streptomyces rimosus.

ent-Gallocatechin 3-gallate

Benzoic acid, 3,4,5-trihydroxy-, 3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester, (2S-trans)-

C22H18O11 (458.0849)

(-)-gallocatechin gallate is a gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-gallocatechin. A natural product found in found in green tea. It has a role as an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor, a human xenobiotic metabolite, an antineoplastic agent and a plant metabolite. It is a gallate ester, a polyphenol and a catechin. It is functionally related to a (-)-gallocatechin and a gallic acid. It is an enantiomer of a (+)-gallocatechin gallate. (-)-Gallocatechin gallate is a natural product found in Senegalia catechu, Paeonia lactiflora, and other organisms with data available. Ent-gallocatechin 3-gallate, also known as (-)-gallocatechol gallic acid, is a member of the class of compounds known as catechin gallates. Catechin gallates are organic compounds containing a gallate moiety glycosidically linked to a catechin. Ent-gallocatechin 3-gallate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Ent-gallocatechin 3-gallate can be found in tea, which makes ent-gallocatechin 3-gallate a potential biomarker for the consumption of this food product. A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-gallocatechin. A natural product found in found in green tea. (-)-Gallocatechin gallate is the polyphenol isolated from tea, with cancer-preventive activities. (-)-Gallocatechin gallate is the polyphenol isolated from tea, with cancer-preventive activities. (-)-Gallocatechin gallate is the polyphenol isolated from tea, with cancer-preventive activities. (-)-Gallocatechin gallate is the polyphenol isolated from tea, with cancer-preventive activities.

Valechlorin

4-[(Acetyloxy)methyl]-7-(chloromethyl)-7-hydroxy-1-[(3-methylbutanoyl)oxy]-1H,6H,7H,7ah-cyclopenta[c]pyran-6-yl 3-methylbutanoic acid

C22H31ClO8 (458.1707)

Constituent of Valeriana officinalis (valerian). Valechlorin is found in tea, fats and oils, and herbs and spices. Valechlorin is found in fats and oils. Valechlorin is a constituent of Valeriana officinalis (valerian). Valechlorin is an iridoid monoterpenoid.

6'-O-Acetyldaidzin

[6-[3-(4-Hydroxyphenyl)-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl ethanoate

C23H22O10 (458.1213)

Isolated from soybean seeds (Glycine max); potential nutriceutical. 6-Acetyldaidzin is found in many foods, some of which are soy yogurt, miso, soy milk, and soy bean. 6-O-Acetyldaidzin is found in miso. 6-O-Acetyldaidzin is isolated from soybean seeds (Glycine max); potential nutriceutica

2'-(E)-Feruloyl-3-(arabinosylxylose)

4-Hydroxy-5-(hydroxymethyl)-2-[(2,3,5-trihydroxyoxan-4-yl)oxy]oxolan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

C20H26O12 (458.1424)

2-(E)-Feruloyl-3-(arabinosylxylose) is found in cereals and cereal products. 2-(E)-Feruloyl-3-(arabinosylxylose) is isolated from corn hull

a-L-Fucopyranosyl-(1->2)-b-D-galactopyranosyl-(1->2)-D-xylose

2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[(2,4,5-trihydroxyoxan-3-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C17H30O14 (458.1635)

a-L-Fucopyranosyl-(1->2)-b-D-galactopyranosyl-(1->2)-D-xylose is found in pulses. a-L-Fucopyranosyl-(1->2)-b-D-galactopyranosyl-(1->2)-D-xylose is a constituent in the cell wall material of scarlet runner bean (Phaseolus coccineus). Constituent in the cell wall material of scarlet runner bean (Phaseolus coccineus). a-L-Fucopyranosyl-(1->2)-b-D-galactopyranosyl-(1->2)-D-xylose is found in pulses.

7-Hydroxy-4-methylphthalide O-[arabinosyl-(1->6)-glucoside]

4-methyl-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-1,3-dihydro-2-benzofuran-1-one

C20H26O12 (458.1424)

7-Hydroxy-4-methylphthalide O-[arabinosyl-(1->6)-glucoside] is a constituent of the bark of Quillaja saponaria (soap-bark tree). Constituent of the bark of Quillaja saponaria (soap-bark tree)

cis-p-Coumaric acid 4-[apiosyl-(1->2)-glucoside]

(2E)-3-{4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]phenyl}prop-2-enoic acid

C20H26O12 (458.1424)

cis-p-Coumaric acid 4-[apiosyl-(1->2)-glucoside] is found in herbs and spices. cis-p-Coumaric acid 4-[apiosyl-(1->2)-glucoside] is a constituent of Salvia officinalis (sage). Constituent of Salvia officinalis (sage). cis-p-Coumaric acid 4-[apiosyl-(1->2)-glucoside] is found in tea and herbs and spices.

3-Galloylgallocatechin

(2R,3S)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoic acid

C22H18O11 (458.0849)

Gallocatechin gallate (GCG) is the ester of gallocatechin and gallic acid and a type of catechin. It is an epimer of epigallocatechin gallate (EGCG). [Wikipedia]. Gallocatechin 3-gallate is found in many foods, some of which are common walnut, peanut, almond, and common hazelnut. 3-Galloylgallocatechin is found in almond. Gallocatechin gallate (GCG) is the ester of gallocatechin and gallic acid and a type of catechin. It is an epimer of epigallocatechin gallate (EGCG). (Wikipedia).

12-Hydroxynevirapine glucuronide

(2S,3S,4S,5R)-3,4,5-trihydroxy-6-{[2-(2-hydroxycyclopropyl)-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,9,12,14-heptaen-10-yl]oxy}oxane-2-carboxylic acid

C21H22N4O8 (458.1438)

12-Hydroxynevirapine glucuronide is a metabolite of nevirapine. Nevirapine, also marketed under the trade name Viramune, is a non-nucleoside reverse transcriptase inhibitor (NNRTI) used to treat HIV-1 infection and AIDS. As with other antiretroviral drugs, HIV rapidly develops resistance if nevirapine is used alone, so recommended therapy consists of combinations of three or more antiretrovirals. (Wikipedia)

2-Hydroxynevirapine glucuronide

(2S,3S,4S,5R,6S)-6-({2-cyclopropyl-10-hydroxy-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H22N4O8 (458.1438)

2-Hydroxynevirapine glucuronide is a metabolite of nevirapine. Nevirapine, also marketed under the trade name Viramune, is a non-nucleoside reverse transcriptase inhibitor (NNRTI) used to treat HIV-1 infection and AIDS. As with other antiretroviral drugs, HIV rapidly develops resistance if nevirapine is used alone, so recommended therapy consists of combinations of three or more antiretrovirals. (Wikipedia)

3-Hydroxynevirapine glucuronide

(2S,3S,4S,5R)-6-({2-cyclopropyl-6-hydroxy-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,9,12,14-heptaen-10-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H22N4O8 (458.1438)

3-Hydroxynevirapine glucuronide is a metabolite of nevirapine. Nevirapine, also marketed under the trade name Viramune, is a non-nucleoside reverse transcriptase inhibitor (NNRTI) used to treat HIV-1 infection and AIDS. As with other antiretroviral drugs, HIV rapidly develops resistance if nevirapine is used alone, so recommended therapy consists of combinations of three or more antiretrovirals. (Wikipedia)

8-Hydroxynevirapine glucuronide

(2R,3R,4R,5S,6R)-6-({2-cyclopropyl-7-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H22N4O8 (458.1438)

8-Hydroxynevirapine glucuronide is a metabolite of nevirapine. Nevirapine, also marketed under the trade name Viramune, is a non-nucleoside reverse transcriptase inhibitor (NNRTI) used to treat HIV-1 infection and AIDS. As with other antiretroviral drugs, HIV rapidly develops resistance if nevirapine is used alone, so recommended therapy consists of combinations of three or more antiretrovirals. (Wikipedia)

(-)-Gallocatechin gallate

5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoic acid

C22H18O11 (458.0849)

Fluoxastrobin

[(2-{[6-(2-chlorophenoxy)-5-fluoropyrimidin-4-yl]oxy}phenyl)(5,6-dihydro-1,4,2-dioxazin-3-yl)methylidene](methoxy)amine

C21H16ClFN4O5 (458.0793)

Iodofiltic Acid

15-(4-iodophenyl)-3-methylpentadecanoic acid

C22H35IO2 (458.1682)

Lorglumide

4-{[(3,4-dichlorophenyl)(hydroxy)methylidene]amino}-4-(dipentylcarbamoyl)butanoic acid

C22H32Cl2N2O4 (458.1739)

D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent

Gallocatechin 3'-gallate

2,3-dihydroxy-5-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]phenyl 3,4,5-trihydroxybenzoate

C22H18O11 (458.0849)

Gallocatechin 3-gallate is a member of the class of compounds known as catechin gallates. Catechin gallates are organic compounds containing a gallate moiety glycosidically linked to a catechin. Thus, gallocatechin 3-gallate is considered to be a flavonoid lipid molecule. Gallocatechin 3-gallate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Gallocatechin 3-gallate can be found in tea, which makes gallocatechin 3-gallate a potential biomarker for the consumption of this food product.

ent-Epigallocatechin 3-gallate

(2S,3S)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

C22H18O11 (458.0849)

Ent-epigallocatechin 3-gallate is a member of the class of compounds known as catechin gallates. Catechin gallates are organic compounds containing a gallate moiety glycosidically linked to a catechin. Ent-epigallocatechin 3-gallate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Ent-epigallocatechin 3-gallate can be found in tea, which makes ent-epigallocatechin 3-gallate a potential biomarker for the consumption of this food product.

10,14-Dihydroxy-11-methoxy-3,3-dimethyl-12-(3-methyl-2-butenyl)-[1]benzopyrano[5,6-b]xanthen-13(3H)-one

2,18-dihydroxy-19-methoxy-7,7-dimethyl-20-(3-methylbut-2-en-1-yl)-8,15-dioxapentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1,3(12),4(9),5,10,13,16,18,20-nonaen-22-one

C28H26O6 (458.1729)

MulberrosideC

(2S,3R,4S,5R)-2-[3-hydroxy-5-(6-hydroxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl)phenoxy]oxane-3,4,5-triol

C24H26O9 (458.1577)

Mulberroside C is a natural product found in Morus lhou, Morus wittiorum, and Morus alba with data available. Mulberroside C is one of the main bioactive constituents in mulberry (Morus alba L.)[1]. Mulberroside C is a HCV replicon inhibitor. Antiviral activity[2]. Mulberroside C is one of the main bioactive constituents in mulberry (Morus alba L.)[1]. Mulberroside C is a HCV replicon inhibitor. Antiviral activity[2].

[3aS-[3aR,4R,5S(Z),6S,10Z,11aS*]]-2,3,3a,4,5,6,7,11a-Octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-4-[(2-methyl-1-oxo-2-propenyl)oxy]-2,7-dioxo-6,9-epoxycyclodeca[b]furan-5-yl ester 2-methyl-2-butenoic acid

[3aS-[3aR*,4R*,5S*(Z),6S*,10Z,11aS*]]-2,3,3a,4,5,6,7,11a-Octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-4-[(2-methyl-1-oxo-2-propenyl)oxy]-2,7-dioxo-6,9-epoxycyclodeca[b]furan-5-yl ester 2-methyl-2-butenoic acid

C24H26O9 (458.1577)

[3aS-(3aR,4R,5S,6S,10Z,11aS*)]-2,3,3a,4,5,6,7,11a-Octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-4-[(2-methyl-1-oxo-2-propenyl)oxy]-2,7-dioxo-6,9-epoxycyclodeca[b]furan-5-yl ester 3-methyl-2-butenoic acid

[3aS-(3aR*,4R*,5S*,6S*,10Z,11aS*)]-2,3,3a,4,5,6,7,11a-Octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-4-[(2-methyl-1-oxo-2-propenyl)oxy]-2,7-dioxo-6,9-epoxycyclodeca[b]furan-5-yl ester 3-methyl-2-butenoic acid

C24H26O9 (458.1577)

Chrysin 7-(4-acetylglucoside)

7-[(4-O-Acetyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-phenyl-4H-1-benzopyran-4-one

C23H22O10 (458.1213)

CJ 13357

C23H26N2O8 (458.1689)

Linichlorin C

C21H27ClO9 (458.1344)

Kopsimaline B

C23H26N2O8 (458.1689)

Epigallocatechin 7-O-gallate

(2R,3R) -3,5,7,3,4,5-Hexahydroxyflavan 7-O-gallate

C22H18O11 (458.0849)

6-O-Acetyldaidzin

Origin: Plant, Coumarins

11-hydroxysulfurmycinone

C23H22O10 (458.1213)

3-O-acetylfrangulin

C23H22O10 (458.1213)

(+)-Leucocyanidin gallate

C22H18O11 (458.0849)

5-methyl-wogonin-7-glucuronide

C23H22O10 (458.1213)

2,4,6-trihydroxybenzoic acid-4-O-3,4,6-triacetylglucoside

C19H22O13 (458.106)

C17H30O14

C17H30O14 (458.1635)

<2-O-(trans-feruloyl)-alpha-L-arabinofuranosyl>-(1->5)-L-arabinofuranose|O-(2-O-trans-feruloyl-alpha-L-arabinofuranosyl)-(1<>5)-alpha-L-arabinofuranose|O-(2-O-trans-feruloyl-alpha-L-arabinofuranosyl)-(1[]5)-alpha-L-arabinofuranose|O-[2-O-(trans-feruloyl)-alpha-L-arabinofuranosyl]-(1-5)-L-arabinofuranose

5-[2,3-epoxy-3-methylbutyl]-3-O-beta-D-xylopyranosyl-6,5-dihydroxy-2-phenylbenzofuran|moracinoside M

C24H26O9 (458.1577)

His Thr Ser Asp

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]butanedioic acid

C17H26N6O9 (458.1761)

(±)-Phrymarolin II

[(3R,3aS,6S,6aR)-3-(1,3-benzodioxol-5-yloxy)-6-(6-methoxy-1,3-benzodioxol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-yl] acetate

C23H22O10 (458.1213)

Tea polyphenol

5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate

C22H18O11 (458.0849)

D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D020011 - Protective Agents > D016587 - Antimutagenic Agents D020011 - Protective Agents > D000975 - Antioxidants D000970 - Antineoplastic Agents

fluoxastrobin

NCGC00380783-01_C24H26O9_

C24H26O9 (458.1577)

Raltitrexed

C21H22N4O6S (458.126)

L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BA - Folic acid analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2021 - Thymidylate Synthase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents

Epigallocatechin-3-monogallate

C22H18O11 (458.0849)

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-hydroxypropanoic acid

C18H26N4O8S (458.1471)

1H-Indole-3-acetic acid, 5-[[(methylamino)sulfonyl]methyl]- glucuronide

C18H22N2O10S (458.0995)

Tyr Ser Cys Ser

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid

C18H26N4O8S (458.1471)

Tyr Ser Ser Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid

C18H26N4O8S (458.1471)

His-Phe4Cl-OH

(S)-2-(3-(2-(1H-imidazol-4-yl)ethoxy)-4-nitrobenzamido)-3-(4-chlorophenyl)propanoic acid

C21H19ClN4O6 (458.0993)

AM-2233

C22H23IN2O (458.0855)

2'-(E)-Feruloyl-3-(arabinosylxylose)

4-hydroxy-5-(hydroxymethyl)-2-[(2,3,5-trihydroxyoxan-4-yl)oxy]oxolan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C20H26O12 (458.1424)

6-o-acetyldaidzin

[6-[3-(4-Hydroxyphenyl)-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl ethanoate

C23H22O10 (458.1213)

cis-p-Coumaric acid 4-[apiosyl-(1->2)-glucoside]

(2E)-3-{4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]phenyl}prop-2-enoic acid

C20H26O12 (458.1424)

Valechlorin

4-[(acetyloxy)methyl]-7-(chloromethyl)-7-hydroxy-1-[(3-methylbutanoyl)oxy]-1H,6H,7H,7aH-cyclopenta[c]pyran-6-yl 3-methylbutanoate

C22H31ClO8 (458.1707)

a-L-Fucopyranosyl-(1->2)-b-D-galactopyranosyl-(1->2)-D-xylose

2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[(2,4,5-trihydroxyoxan-3-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C17H30O14 (458.1635)

7-Hydroxy-4-methylphthalide O-[arabinosyl-(1->6)-glucoside]

4-methyl-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-1,3-dihydro-2-benzofuran-1-one

C20H26O12 (458.1424)

Ethanaminium, N, N,N-triethyl-, (T-4)-tetrachloronickelate(2-) (2:1)

C16H40Cl4N2Ni (458.1299)

Gadolinium(III) acetylacetonate hydrate

C15H24GdO6 (458.0814)

RHODAMINE 116 PERCHLORATE

C22H19ClN2O7 (458.0881)

2-[(2-cyanoethyl)[p-[(p-nitrophenyl)azo]phenyl]amino]ethyl carbanilate

C24H22N6O4 (458.1702)

[bis(4-amino-3,5-dimethylphenyl)-(2,6-dichlorophenyl)methoxy]boronic acid

C23H25BCl2N2O3 (458.1335)

N-(2-fluorophenyl)-2-[4-methyl-5-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide

C20H19FN6O4S (458.1172)

1-(PERFLUOROHEXYL)DEC-1-ENE

C16H19F13 (458.1279)

3,4,5-TRIMETHOXYCINNAMIC ACID ANHYDRIDE

C24H26O9 (458.1577)

Phenolphthalein dibutyrate

C28H26O6 (458.1729)

2-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-5-[(4-nitrophenyl)azo]thiophene-3-carbonitrile

C22H18N8O2S (458.1273)

REACTIVEREDNO5

C24H16Cl2N6 (458.0813)

Tetradecamethylhexasiloxane

C14H42O5Si6 (458.1648)

trifluoromethanesulfonate,2,4,6-triphenylpyrylium

C24H17F3O4S (458.08)

1,1,1,3,5,7,7,7-OCTAMETHYL-3,5-BIS(TRIM&

C14H42O5Si6 (458.1648)

(S,S)-DIPAMP

C28H28O2P2 (458.1564)

Cinnamyltriphenylphosphonium Bromide

C27H24BrP (458.0799)

BMS-2

1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide

C25H16F2N4O3 (458.119)

[(1R,2S,3R,4R,5R,6S)-3-benzoyloxy-4-butanoyloxy-2,5,6-trihydroxycyclohexyl] benzoate

C24H26O9 (458.1577)

ethane-1,2-diol,hexanedioic acid,1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene

C23H26N2O8 (458.1689)

N-(2-HYDROXY-5-(1-HYDROXY-2-(2-METHYL-1-PHENYLPROPAN-2-YLAMINO)ETHYL)PHENYL)METHANE

C19H27BrN2O4S (458.0875)

fmoc-pro-onp

C26H22N2O6 (458.1478)

C.I. Basic Brown 4

C21H24Cl2N8 (458.1501)

3,4-DI-O-ACETYL-1,2-O-ISOPROPYLIDENE-5-O-TOSYL-ALPHA-L-SORBOPYRANSE

C20H26O10S (458.1247)

Canagliflozin Impurity 17

C24H23FO6S (458.1199)

(r,r)-dipamp

C28H28O2P2 (458.1564)

Acid Blue 129

C23H19N2NaO5S (458.0912)

(2S)-6-[(2-bromophenyl)methoxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

C19H27BrN2O6 (458.1052)

POLY(STYRENE-CO-VINYLBENZYL CHLORIDE-CO-DIVINYLBENZENE)

C27H29Cl3 (458.1335)

Triethylene glycol bis(p-toluenesulfonate)

C20H26O8S2 (458.1069)

ethylene glycol bis[4-(2-fluorobenzoyl)phenyl] ether

C28H20F2O4 (458.133)

N-(6-{[3-(4-Bromophenyl)-1,2-benzisothiazol-6-YL]oxy}hexyl)-N-methylprop-2-EN-1-amine

C23H27BrN2OS (458.1027)

cis-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl 3,4,5-trihydroxybenzoate

C22H18O11 (458.0849)

8-Hydroxynevirapine glucuronide

C21H22N4O8 (458.1438)

3-Deoxyoctulosonic acid disaccharide

C16H26O15 (458.1272)

N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]-2-thiophenesulfonamide

C22H26N4O3S2 (458.1446)

n-[(9-beta-d-Ribofuranosyl-2-methylthiopurin-6-yl)carbamoyl]threonine

C16H22N6O8S (458.122)

Lorglumide, (S)-

C22H32Cl2N2O4 (458.1739)

Lorglumide, (R)-

C22H32Cl2N2O4 (458.1739)

4-[[4-[(Z)-2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid

C26H22N2O6 (458.1478)

4-[2-[[3-(4-Methylphenyl)-5-triazolo[1,5-a]quinazolinyl]amino]ethyl]benzenesulfonamide

C24H22N6O2S (458.1525)

4-[(diethylamino)sulfonyl]-N-[1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide

C21H26N6O4S (458.1736)

Iodofiltic acid (123I)

C22H35IO2 (458.1682)

C1446 - Radiopharmaceutical Compound > C2124 - Radioconjugate

4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide

C19H25F3N6O2S (458.1712)

N-[Isoleucinyl]-N-[adenosyl]-diaminosufone

C16H26N8O6S (458.1696)

5-(4-Phenoxyphenyl)-5-(4-Pyrimidin-2-Ylpiperazin-1-Yl)pyrimidine-2,4,6(2h,3h)-Trione

C24H22N6O4 (458.1702)

Teavigo

(-)-Epigallocatechin gallate (85\\% (-)-epigallocatechin gallate, 10\\% (-)-epigallocatechin, 5\\% (-)- epicatechin gallate)

C22H18O11 (458.0849)

COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D020011 - Protective Agents > D016587 - Antimutagenic Agents D020011 - Protective Agents > D000975 - Antioxidants D000970 - Antineoplastic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS (-)-Epigallocatechin Gallate (EGCG) is a major polyphenol in green tea, which can inhibit cell proliferation and induce cell apoptosis. (-)-Epigallocatechin Gallate inhibits glutamate dehydrogenase 1/2 (GDH1/2, GLUD1/2) activity. (-)-Epigallocatechin Gallate has a potent anticancer, antioxidant and anti-inflammatory properties against various types of cancers such as colorectal cancer, myeloid leukemia, thyroid carcinoma[1][2][3][4]. (-)-Epigallocatechin Gallate (EGCG) is a major polyphenol in green tea, which can inhibit cell proliferation and induce cell apoptosis. (-)-Epigallocatechin Gallate inhibits glutamate dehydrogenase 1/2 (GDH1/2, GLUD1/2) activity. (-)-Epigallocatechin Gallate has a potent anticancer, antioxidant and anti-inflammatory properties against various types of cancers such as colorectal cancer, myeloid leukemia, thyroid carcinoma[1][2][3][4]. (-)-Epigallocatechin Gallate (EGCG) is a major polyphenol in green tea, which can inhibit cell proliferation and induce cell apoptosis. (-)-Epigallocatechin Gallate inhibits glutamate dehydrogenase 1/2 (GDH1/2, GLUD1/2) activity. (-)-Epigallocatechin Gallate has a potent anticancer, antioxidant and anti-inflammatory properties against various types of cancers such as colorectal cancer, myeloid leukemia, thyroid carcinoma[1][2][3][4]. (-)-Epigallocatechin Gallate (EGCG) is a major polyphenol in green tea, which can inhibit cell proliferation and induce cell apoptosis. (-)-Epigallocatechin Gallate inhibits glutamate dehydrogenase 1/2 (GDH1/2, GLUD1/2) activity. (-)-Epigallocatechin Gallate has a potent anticancer, antioxidant and anti-inflammatory properties against various types of cancers such as colorectal cancer, myeloid leukemia, thyroid carcinoma[1][2][3][4]. (-)-Epigallocatechin Gallate (EGCG) is a major polyphenol in green tea, which can inhibit cell proliferation and induce cell apoptosis. (-)-Epigallocatechin Gallate inhibits glutamate dehydrogenase 1/2 (GDH1/2, GLUD1/2) activity. (-)-Epigallocatechin Gallate has a potent anticancer, antioxidant and anti-inflammatory properties against various types of cancers such as colorectal cancer, myeloid leukemia, thyroid carcinoma[1][2][3][4]. (-)-Epigallocatechin Gallate (EGCG) is a major polyphenol in green tea, which can inhibit cell proliferation and induce cell apoptosis. (-)-Epigallocatechin Gallate inhibits glutamate dehydrogenase 1/2 (GDH1/2, GLUD1/2) activity. (-)-Epigallocatechin Gallate has a potent anticancer, antioxidant and anti-inflammatory properties against various types of cancers such as colorectal cancer, myeloid leukemia, thyroid carcinoma[1][2][3][4].

6-O-ACETYLDAIDZIN

[6-[3-(4-Hydroxyphenyl)-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl ethanoate

C23H22O10 (458.1213)

(1S,4aS,11R,12R,12aR)-3-carbamoyl-1-(dimethylazaniumyl)-4a,7,11,12-tetrahydroxy-11-methyl-4,5,6-trioxo-1,4,4a,5,6,11,12,12a-octahydrotetracen-2-olate

C22H22N2O9 (458.1325)

Deoxynortryptoquialanone

C25H22N4O5 (458.159)

2-Hydroxynevirapine glucuronide

C21H22N4O8 (458.1438)

10,14-Dihydroxy-11-methoxy-3,3-dimethyl-12-(3-methyl-2-butenyl)-[1]benzopyrano[5,6-b]xanthen-13(3H)-one

C28H26O6 (458.1729)

Chartaceone A3

C28H26O6 (458.1729)

A chartaceone A with 2S, 5R-configuration.

Chartaceone A4

C28H26O6 (458.1729)

A chartaceone A with 2S, 5S-configuration.

Src Inhibitor-5

C23H27ClN4O4 (458.1721)

chartaceone A2

C28H26O6 (458.1729)

A chartaceone A with 2R, 5S-configuration.

chartaceone A1

C28H26O6 (458.1729)

A chartaceone A with 2R, 5R-configuration.

(+-)-chartaceone B

(2E)-2-[(2-fluorophenyl)methylidene]-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one

C26H23FN4O3 (458.1754)

4-[2-[3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]amino]propanoylamino]ethylsulfanyl]-4-oxobutanoic acid

C15H27N2O10PS (458.1124)

1-Deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2H-benzo[G]pteridin-1-ID-10(5H)-YL)-5-O-phosphonato-D-ribitol

C17H23N4O9P (458.1203)

Tomudex

Raltitrexed

C21H22N4O6S (458.126)

lorglumide

C22H32Cl2N2O4 (458.1739)

(+)-gallocatechin gallate

C22H18O11 (458.0849)

A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3S)-hydroxy group of (+)-gallocatechin.

3-Hydroxynevirapine glucuronide

C21H22N4O8 (458.1438)

2-(E)-Feruloyl-3-(arabinosylxylose)

C20H26O12 (458.1424)

(+-)-chartaceone A

C28H26O6 (458.1729)

A racemate composed of equimolar concentrations of chartaceone A1, A2, A3 and A4. It has been isolated from the barks of Cryptocarya chartacea.

chartaceone A

C28H26O6 (458.1729)

A dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7 and a 6-carboxy-1-phenylhex-1-en-3-yl group at position 6.

5a,11a-dehydrooxytetracycline zwitterion

C22H22N2O9 (458.1325)

A zwitterion obtained by transfer of a proton from the 2-hydroxy group to the adjacent tertiary amino group of 5a,11a-dehydrooxytetracycline; major species at pH 7.3.

FMNH2

C17H23N4O9P (458.1203)

The reduced 1,5-dihydro form of flavin mononucleotide.

daidzein 7-(6-O-acetyl-beta-D-glucoside)

C23H22O10 (458.1213)

A glycosyloxyisoflavone that is daidzein in which the phenolic hydrogen at position 7 has been replaced by a 6-O-acetyl-beta-D-glucosyl residue.

ST 19:5;O8;S

C19H22O11S (458.0883)

ST 20:4;O7;S

C20H26O10S (458.1247)

ST 21:3;O6;S

C21H30O9S (458.161)

CC-90003

C22H21F3N6O2 (458.1678)

CC-90003 is an irreversible and selective inhibitor of ERK 1/2 with antitumor activity.

Quinine (sulfate hydrate)

2-[2-(4-{5-[2-(2,5-dihydroxyphenyl)ethyl]-2-hydroxyphenoxy}phenyl)ethyl]benzene-1,4-diol

C28H26O6 (458.1729)

1-O-p-coumaroyl-β-D-xylopyranosyl-(1→6)-β-D-glucopyraboside

C20H26O12 (458.1424)

{"Ingredient_id": "HBIN002928","Ingredient_name": "1-O-p-coumaroyl-\u03b2-D-xylopyranosyl-(1\u21926)-\u03b2-D-glucopyraboside","Alias": "NA","Ingredient_formula": "C20H26O12","Ingredient_Smile": "C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(=O)C=CC3=CC=C(C=C3)O)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37115","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

5,3'-diacetoxy-3,6,7,4'-tetramethoxyflavone

C23H22O10 (458.1213)

{"Ingredient_id": "HBIN011014","Ingredient_name": "5,3'-diacetoxy-3,6,7,4'-tetramethoxyflavone","Alias": "NA","Ingredient_formula": "C23H22O10","Ingredient_Smile": "CC(=O)OC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC(=O)C)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5318","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

8-o-β-d-(6'-o-acetyl)glucopyranosylchrysopha-nol

C23H22O10 (458.1213)

{"Ingredient_id": "HBIN013845","Ingredient_name": "8-o-\u03b2-d-(6'-o-acetyl)glucopyranosylchrysopha-nol","Alias": "NA","Ingredient_formula": "C23H22O10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "401","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

(1'r,2s,2'r,12's,14's,17's,19's,21's)-21'-hydroxy-2',6',6',14',19'-pentamethyl-7',16',18'-trioxaspiro[oxirane-2,11'-pentacyclo[12.6.1.0²,¹².0⁵,¹⁰.0¹⁷,²¹]henicosane]-4',9'-diene-3',8',15',20'-tetrone

9-[(acetyloxy)methyl]-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl 3-chloro-2-hydroxy-2-methylpropanoate

C21H27ClO9 (458.1344)