Exact Mass: 430.1328786
Exact Mass Matches: 430.1328786
Found 500 metabolites which its exact mass value is equals to given mass value 430.1328786,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Benzofenap
C22H20Cl2N2O3 (430.08509100000003)
Benzofenap is found in cereals and cereal products. Benzofenap is a herbicide used on rice. Herbicide used on rice. Benzofenap is found in cereals and cereal products.
Ononin
Widely distributed in the Leguminosae subfamily Papilionoideae, e.g. in Medicago sativa (alfalfa) and Trifolium subspecies Formononetin 7-glucoside is found in chickpea, soy bean, and pulses. Ononin is found in chickpea. Ononin is widely distributed in the Leguminosae subfamily Papilionoideae, e.g. in Medicago sativa (alfalfa) and Trifolium species. Acquisition and generation of the data is financially supported in part by CREST/JST. IPB_RECORD: 381; CONFIDENCE confident structure Ononin is an isoflavone that inhibits the growth of Pluchea lanceolata in soil. Ononin is an isoflavone that inhibits the growth of Pluchea lanceolata in soil.
Stypandrol
Sesartemin
Isolated from roots of Artemisia absinthium (wormwood). Diasesartemin is found in alcoholic beverages and herbs and spices. Diasesartemin is found in alcoholic beverages. Diasesartemin is isolated from roots of Artemisia absinthium (wormwood).
Bispyribac
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4218; ORIGINAL_PRECURSOR_SCAN_NO 4215 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4230; ORIGINAL_PRECURSOR_SCAN_NO 4228 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4222; ORIGINAL_PRECURSOR_SCAN_NO 4220 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8980; ORIGINAL_PRECURSOR_SCAN_NO 8978 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4228; ORIGINAL_PRECURSOR_SCAN_NO 4226 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9013; ORIGINAL_PRECURSOR_SCAN_NO 9011 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8981; ORIGINAL_PRECURSOR_SCAN_NO 8979 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4239; ORIGINAL_PRECURSOR_SCAN_NO 4235 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4236; ORIGINAL_PRECURSOR_SCAN_NO 4234 INTERNAL_ID 162; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9005; ORIGINAL_PRECURSOR_SCAN_NO 9003 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9005; ORIGINAL_PRECURSOR_SCAN_NO 9003 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9025; ORIGINAL_PRECURSOR_SCAN_NO 9024 CONFIDENCE standard compound; INTERNAL_ID 162; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9031; ORIGINAL_PRECURSOR_SCAN_NO 9028
Avizafone
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate
Coumestrin
Constituent of Glycine max (soybean). Coumestrin is found in alfalfa, soy bean, and pulses. Coumestrin is found in alfalfa. Coumestrin is a constituent of Glycine max (soybean).
5-hydroxy-7-methoxy-2-phenyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
Cubebinone
Cubebinone is found in herbs and spices. Cubebinone is a constituent of Piper cubeba (cubeb pepper). Constituent of Piper cubeba (cubeb pepper). Cubebinone is found in herbs and spices.
Daidzein 7-O-glucuronide
Daidzein 7-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
3,4,5-trihydroxy-6-[(7-hydroxy-4-oxo-2-phenyl-4H-chromen-5-yl)oxy]oxane-2-carboxylic acid
8-Acetoxy-4'-methoxypinoresinol
Constituent of Olea europaea (olive). 8-Acetoxy-4-methoxypinoresinol is found in many foods, some of which are olive, herbs and spices, pomes, and fats and oils. 8-Acetoxy-4-methoxypinoresinol is found in fats and oils. 8-Acetoxy-4-methoxypinoresinol is a constituent of Olea europaea (olive).
5,7-Dihydroxy-6-methoxyflavone 5-rhamnoside
5,7-Dihydroxy-6-methoxyflavone 5-rhamnoside is found in fruits. 5,7-Dihydroxy-6-methoxyflavone 5-rhamnoside is a constituent of the seeds of Trichosanthes anguina (snake gourd). Constituent of the seeds of Trichosanthes anguina (snake gourd). 5,7-Dihydroxy-6-methoxyflavone 5-rhamnoside is found in fruits.
2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-6-yl]-3,4-dihydroxy-6-methyl-3,4-dihydro-2H-pyran-5(6H)-one
Ketoprofen glucuronide
Ketoprofen glucuronide is a natural human metabolite of ketoprofen generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Ketoprofen glucuronide is a natural human metabolite of ketoprofen generated in the liver by UDP glucuonyltransferase.
Daidzein 4'-O-glucuronide
Daidzein 4-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
(3S,5R,6S)-6-[2-(3-Benzoylphenyl)propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Fostriecin
(3-{[3-(2-Amino-2-Oxoethyl)-1-Benzyl-2-Ethyl-1h-Indol-5-Yl]oxy}propyl)phosphonic Acid
C22H27N2O5P (430.16575020000005)
LY-311727 is a potent secretory non-pancreatic phospholipase A2 (sPLA2) inhibitor (IC50 <1 μM for group IIA sPLA2). sPLA2 is an important proinflammatory enzyme[1][2].
Formononetin-B-D-glucuronide sodium salt
Diethyl 6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
5-(1,1-Dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide
C20H19FN4O4S (430.11109860000005)
Derhamnosylmaysin
Derhamnosylmaysin is a member of the class of compounds known as flavonoid c-glycosides. Flavonoid c-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Derhamnosylmaysin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Derhamnosylmaysin can be found in corn, which makes derhamnosylmaysin a potential biomarker for the consumption of this food product.
Chrysin 7-glucuronide
Chrysin-7-O-glucuronide is a member of flavonoids and a glucosiduronic acid. Chrysin-7-O-glucuronide is a natural product found in Scutellaria indica, Scutellaria immaculata, and other organisms with data available. Chrysin-7-O-glucuronide is a flavonoid extracted from Scutellaria baicalensis, with antioxidant activity[1]. Chrysin-7-O-glucuronide is a flavonoid extracted from Scutellaria baicalensis, with antioxidant activity[1].
Ononin
Ononin is a 4-methoxyisoflavone that is formononetin attached to a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as a plant metabolite. It is a monosaccharide derivative, a member of 4-methoxyisoflavones and a 7-hydroxyisoflavones 7-O-beta-D-glucoside. It is functionally related to a formononetin. Ononin is a natural product found in Cicer chorassanicum, Thermopsis lanceolata, and other organisms with data available. See also: Astragalus propinquus root (part of). A 4-methoxyisoflavone that is formononetin attached to a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. Ononin is an isoflavone that inhibits the growth of Pluchea lanceolata in soil. Ononin is an isoflavone that inhibits the growth of Pluchea lanceolata in soil.
Daidzein 7-O-beta-D-glucoside 4-O-methylate
β-acetoxyisovalerylalkannin
Butanoic acid, 3-(acetyloxy)-3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (S)- is a natural product found in Alkanna tinctoria with data available. Beta-Acetoxyisovalerylshikonin is a naphthoquinone derivative isolated from Arnebia euchroma[1][2]. Beta-Acetoxyisovalerylshikonin is a naphthoquinone derivative isolated from Arnebia euchroma[1][2].
Torosaflavone B
Alvaradoin F
A C-glycosyl compound that is 1,8-dihydroxy-3-methylanthracen-9(10H)-one substituted by a (1-O-acetyl)-alpha-L-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 10R stereoisomer). It is isolated from the leaves of Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma.
Acacetin 7-O-alpha-L-rhamnopyranoside
Catechin 3-O-(1,6-dihydroxy-2-cyclohexene-1-carboxylate)
[1S-(1alpha,4aalpha,7aalpha)]-7-[(acetyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
Alternanthin
3,7-Dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one
4-Hydroxyacetophenone 4-O-(6-O-beta-D-apiofuranosyl)-beta-D-glucopyranoside
fostriecin
A structurally unique, naturally-occurring phosphate monoester isolated from the soil bacterium Streptomyces pulveraceus. It inhibits DNA topoisomerase II as well as several protein phosphatase including PP2A and PPA4, and exhibits potent antitumor activity against several cancer cell lines.
4-Methoxypuerarin
4'-Methoxypuerarin (4'-O-Methylpuerarin), an isoflavone diglycoside, is isolated from Pueraria lobata[1]. 4'-Methoxypuerarin (4'-O-Methylpuerarin), an isoflavone diglycoside, is isolated from Pueraria lobata[1].
3,7-Dihydroxy-8-methylflavone 7-rhamnoside
8,9-Methylenedioxypterocarpan 3-O-alpha-L-rhamnoside
Aliarin 4-methyl ether
3,5,8,3-Tetramethoxy-6,7:4,5-bis(methylenedioxy)flavone
Coumestrin
ononin
Origin: Plant; Formula(Parent): C22H22O9; Bottle Name:Ononin; PRIME Parent Name:Formononetin-7-O-glucoside; PRIME in-house No.:S0305, Pyrans Annotation level-1 Ononin is an isoflavone that inhibits the growth of Pluchea lanceolata in soil. Ononin is an isoflavone that inhibits the growth of Pluchea lanceolata in soil.
5a-Hydroxy-2-isopropyl-4-(4-oxo-3(4H)-quinazolinyl)-4,5,5a,9c-tetrahydro-3H-2a,9b-diazacyclopenta[jk]fluorene-1,3(2H)-dione
1,5-Anhydro-2-O-(6-O-benzoyl-α-L-galactopyranosyl)-D-glucitol
rel-(7S,8R,1S,5S,6S)-6-Acetoxy-3-hydroxy-3,5-dimethoxy-4,5-methylenedioxy-4-oxo-Delta-1,3,5,2,8-8.1,7.5-neolignan
7-beta-D-Glucopyranosyloxy-2-(4-methoxy-phenyl)-chromen-4-on|7-beta-D-glucopyranosyloxy-2-(4-methoxy-phenyl)-chromen-4-one|tilianin
8-Me ether,3-O-alpha-L-rhamnopyranoside-1,3,8-Trihydroxy-2-methylanthraquinone
5-methoxy-8-(4-methoxy-6-oxo-6H-pyran-2-yl)-1,7-diphenyl-2-oxa-bicyclo[4.2.0]oct-4-en-3-one
1-(3-Methylbutanoyl),1-(3-methyl-2-butenoyl)-4-[5-(Hydroxymethyl)-[2,2-bithiophen-5-yl]]-3-butyn-1-ol
C23H26O4S2 (430.12724360000004)
2-({6-O-[(4-hydroxy-3-methoxyphenyl)carbonyl]-beta-D-glucopyranosyl}oxy)-2-methylbutanoic acid
2,3,4,7,8-Penta-Me ether,5-Ac-2,3,4,5,7,8-Hexahydroxyflavon
cynaropicrin-3-O-(4-hydroxymethacrylate)|cynaropicrin-3-O-<4-hydroxymethacrylate>
5-Senecioyloxymethylene-2-(4-isovaleryloxybut-3-ynyl)dithiophene
C23H26O4S2 (430.12724360000004)
1-(3-Methylbutanoyl),1-(2-methyl-2E-butenoyl)-4-[5-(Hydroxymethyl)-[2,2-bithiophen-5-yl]]-3-butyn-1-ol
C23H26O4S2 (430.12724360000004)
Acetic acid 2,3-bis(3-methoxy-4-acetoxyphenyl)propyl ester
(+)-cyanobacterin|4-hydroxy-4-isopropyl-5-[(4-methoxyphenyl)methylene]-3-[(3-chloro-4,5-methylenedioxyphenyl)methyl]-dihydro-2(3H)-furanone|cyanobacterin
5,7-dihydroxy-3-(3-hydroxymethylbutyl)-3,6,4-trimethoxyflavone
3-O-benzoylpolygolitosyl-(2->1)-alpha-galactose|polygalatenoside B
2,3-cis-2-(hydroxymethyl)-3-{bis[5-methoxy-3,4-(methylenedioxy)phenyl]methyl}butyrolactone
(1R,3S,5R,6R,7R,8S)-3-acetoxy-13,14,15-trimethylene-12-oxododecahydroazuleno[6,7-beta]furan-8-yl 17-(acetoxymethyl)acrylate|cynaropicrin B diacetate
3,4,8,9,10,11-Hexamethoxy-5,7-dihydro[2]benzopyrano[4,3-b][1]benzopyran-7-one
methyl rel-(1R,2S,3S)-2-(7-methoxy-1,3-benzodioxol-5-yl)-3-(2,4,5-trimethoxyphenyl)cyclobutanecarboxylate
9-methoxy-7-methoxymethyl-10-alpha-L-rhamnopyranosyloxy-5H-dibenzo[a,c][7]annulen-3-ol|subavenoside F
7-beta-D-glucopyranosyloxymethyl-9-methoxy-5H-dibenzo[a,c][7]annulen-10-ol|subavenoside A
[(3-hydroxy-3-methylglutaryl)methyl]phenyl-4-O-beta-D-glucopyranoside
10-beta-D-glucopyranosyloxy-7-hydroxymethyl-9-methoxy-5H-dibenzo[a,c][7]annulene|subavenoside D
Thiobiscephalosporolide A|thiobiscephalosporolide-A
beta-D-galactopyranosyl-(1->4)-3,6-anhydro-L-galactose diethyl dithioacetal|O4-beta-D-Galactopyranosyl-3,6-anhydro-L-galactose-diaethyldithioacetal|O4-beta-D-galactopyranosyl-3,6-anhydro-L-galactose-diethyldithioacetal
5-Tigloyloxymethylene-2-(4-isovaleryloxybut-3-ynyl)dithiophene
C23H26O4S2 (430.12724360000004)
1D-tetra-O-acetyl-1,3-bis-acetylamino-1,3-dideoxy-allo-inositol|Hexacetylstreptamin
Demecycline
C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic
chrysin 7-glucuronide|chrysin 7-O-beta-glucuronide
acetophenone-2-O-[beta-D-apiofuranosyl-1->6-O-beta-D-glucopyranoside]
O2-Me-5a,6-Dihydro-3-(1H-indol-3-yl)-1,4-dimethoxy-10bH-benzofuro[2,3-b]indole-2,10b-diol
2-<(2H-1,3-Benzodioxol-5-yl)methyl>-3-<(3,4-dimethoxyphenyl)methyl>bernsteinsaeuredimethylester
2,3-dinor Fluprostenol
Chrysin-7-O-glucuronide
Chrysin-7-O-glucuronide is a member of flavonoids and a glucosiduronic acid. Chrysin-7-O-glucuronide is a natural product found in Scutellaria indica, Scutellaria immaculata, and other organisms with data available. Chrysin-7-O-glucuronide is a flavonoid extracted from Scutellaria baicalensis, with antioxidant activity[1]. Chrysin-7-O-glucuronide is a flavonoid extracted from Scutellaria baicalensis, with antioxidant activity[1].
4-methyloxy-Daidzin
Regaloside F
Regaloside F is a natural product found in Lilium auratum and Lilium mackliniae with data available.
3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid
C19H26O11_Ethanone, 1-[4-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]phenyl]
C19H26O11_1,5-Anhydro-2-O-(6-O-benzoyl-alpha-D-galactopyranosyl)-D-glucitol
C19H26O11_5-{[4-(beta-D-Glucopyranosyloxy)benzyl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid
[(2R,3R,4S,5R,6S)-6-[(3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl benzoate
MK-274
C18H12F6N4O2 (430.08644039999996)
CONFIDENCE standard compound; INTERNAL_ID 342; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4920; ORIGINAL_PRECURSOR_SCAN_NO 4919 CONFIDENCE standard compound; INTERNAL_ID 342; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4855; ORIGINAL_PRECURSOR_SCAN_NO 4854 CONFIDENCE standard compound; INTERNAL_ID 342; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4943; ORIGINAL_PRECURSOR_SCAN_NO 4942 CONFIDENCE standard compound; INTERNAL_ID 342; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4866; ORIGINAL_PRECURSOR_SCAN_NO 4864 CONFIDENCE standard compound; INTERNAL_ID 342; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4444; ORIGINAL_PRECURSOR_SCAN_NO 4442 CONFIDENCE standard compound; INTERNAL_ID 342; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4865; ORIGINAL_PRECURSOR_SCAN_NO 4862 CONFIDENCE standard compound; INTERNAL_ID 342; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9221; ORIGINAL_PRECURSOR_SCAN_NO 9219 CONFIDENCE standard compound; INTERNAL_ID 342; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9252; ORIGINAL_PRECURSOR_SCAN_NO 9249 ORIGINAL_PRECURSOR_SCAN_NO 9265; CONFIDENCE standard compound; INTERNAL_ID 342; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9267 CONFIDENCE standard compound; INTERNAL_ID 342; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9267; ORIGINAL_PRECURSOR_SCAN_NO 9265 DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; INTERNAL_ID 342; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9354; ORIGINAL_PRECURSOR_SCAN_NO 9352 CONFIDENCE standard compound; INTERNAL_ID 342; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9354; ORIGINAL_PRECURSOR_SCAN_NO 9352 CONFIDENCE standard compound; INTERNAL_ID 342; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9301; ORIGINAL_PRECURSOR_SCAN_NO 9299 CONFIDENCE standard compound; INTERNAL_ID 342; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9176; ORIGINAL_PRECURSOR_SCAN_NO 9173
[(2R,3R,4S,5R,6S)-6-[(3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl benzoate_8.5\\%
[(2R,3R,4S,5R,6S)-6-[(3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl benzoate_major
Ala Cys His Thr
C16H26N6O6S (430.16344560000005)
Ala Cys Thr His
C16H26N6O6S (430.16344560000005)
Ala Asp Glu Pro
C17H26N4O9 (430.16997060000006)
Ala Asp Pro Glu
C17H26N4O9 (430.16997060000006)
Ala Glu Asp Pro
C17H26N4O9 (430.16997060000006)
Ala Glu Pro Asp
C17H26N4O9 (430.16997060000006)
Ala His Cys Thr
C16H26N6O6S (430.16344560000005)
Ala His Thr Cys
C16H26N6O6S (430.16344560000005)
Ala Pro Asp Glu
C17H26N4O9 (430.16997060000006)
Ala Pro Glu Asp
C17H26N4O9 (430.16997060000006)
Ala Thr Cys His
C16H26N6O6S (430.16344560000005)
Ala Thr His Cys
C16H26N6O6S (430.16344560000005)
Cys Ala His Thr
C16H26N6O6S (430.16344560000005)
Cys Ala Thr His
C16H26N6O6S (430.16344560000005)
Cys Asp Gly His
Cys Asp His Gly
Cys Asp Pro Pro
C17H26N4O7S (430.15221260000004)
Cys Gly Asp His
Cys Gly His Asp
Cys His Ala Thr
C16H26N6O6S (430.16344560000005)
Cys His Asp Gly
Cys His Gly Asp
Cys His Thr Ala
C16H26N6O6S (430.16344560000005)
Cys Pro Asp Pro
C17H26N4O7S (430.15221260000004)
Cys Pro Pro Asp
C17H26N4O7S (430.15221260000004)
Cys Thr Ala His
C16H26N6O6S (430.16344560000005)
Cys Thr His Ala
C16H26N6O6S (430.16344560000005)
Asp Ala Glu Pro
C17H26N4O9 (430.16997060000006)
Asp Ala Pro Glu
C17H26N4O9 (430.16997060000006)
Asp Cys Gly His
Asp Cys His Gly
Asp Cys Pro Pro
C17H26N4O7S (430.15221260000004)
Asp Glu Ala Pro
C17H26N4O9 (430.16997060000006)
Asp Glu Pro Ala
C17H26N4O9 (430.16997060000006)
Asp Gly Cys His
Asp Gly His Cys
Asp His Cys Gly
Asp His Gly Cys
Asp Pro Ala Glu
C17H26N4O9 (430.16997060000006)
Asp Pro Cys Pro
C17H26N4O7S (430.15221260000004)
Asp Pro Glu Ala
C17H26N4O9 (430.16997060000006)
Asp Pro Pro Cys
C17H26N4O7S (430.15221260000004)
Glu Ala Asp Pro
C17H26N4O9 (430.16997060000006)
Glu Ala Pro Asp
C17H26N4O9 (430.16997060000006)
Glu Asp Ala Pro
C17H26N4O9 (430.16997060000006)
Glu Asp Pro Ala
C17H26N4O9 (430.16997060000006)
Glu Glu Gly Pro
C17H26N4O9 (430.16997060000006)
Glu Glu Pro Gly
C17H26N4O9 (430.16997060000006)
Glu Gly Glu Pro
C17H26N4O9 (430.16997060000006)
Glu Gly Pro Glu
C17H26N4O9 (430.16997060000006)
Glu Pro Ala Asp
C17H26N4O9 (430.16997060000006)
Glu Pro Asp Ala
C17H26N4O9 (430.16997060000006)
Glu Pro Glu Gly
C17H26N4O9 (430.16997060000006)
Glu Pro Gly Glu
C17H26N4O9 (430.16997060000006)
Gly Cys Asp His
Gly Cys His Asp
Gly Asp Cys His
Gly Asp His Cys
Gly Glu Glu Pro
C17H26N4O9 (430.16997060000006)
Gly Glu Pro Glu
C17H26N4O9 (430.16997060000006)
Gly His Cys Asp
Gly His Asp Cys
Gly His Met Ser
C16H26N6O6S (430.16344560000005)
Gly His Ser Met
C16H26N6O6S (430.16344560000005)
Gly Met His Ser
C16H26N6O6S (430.16344560000005)
Gly Met Ser His
C16H26N6O6S (430.16344560000005)
Gly Pro Glu Glu
C17H26N4O9 (430.16997060000006)
Gly Ser His Met
C16H26N6O6S (430.16344560000005)
Gly Ser Met His
C16H26N6O6S (430.16344560000005)
His Ala Cys Thr
C16H26N6O6S (430.16344560000005)
His Ala Thr Cys
C16H26N6O6S (430.16344560000005)
His Cys Ala Thr
C16H26N6O6S (430.16344560000005)
His Cys Asp Gly
His Cys Gly Asp
His Cys Thr Ala
C16H26N6O6S (430.16344560000005)
His Asp Cys Gly
His Asp Gly Cys
His Gly Cys Asp
His Gly Asp Cys
His Gly Met Ser
C16H26N6O6S (430.16344560000005)
His Gly Ser Met
C16H26N6O6S (430.16344560000005)
His Met Gly Ser
C16H26N6O6S (430.16344560000005)
His Met Ser Gly
C16H26N6O6S (430.16344560000005)
His Ser Gly Met
C16H26N6O6S (430.16344560000005)
His Ser Met Gly
C16H26N6O6S (430.16344560000005)
His Ser Ser Thr
His Ser Thr Ser
His Thr Ala Cys
C16H26N6O6S (430.16344560000005)
His Thr Cys Ala
C16H26N6O6S (430.16344560000005)
His Thr Ser Ser
Met Gly His Ser
C16H26N6O6S (430.16344560000005)
Met Gly Ser His
C16H26N6O6S (430.16344560000005)
Met His Gly Ser
C16H26N6O6S (430.16344560000005)
Met His Ser Gly
C16H26N6O6S (430.16344560000005)
Met Ser Gly His
C16H26N6O6S (430.16344560000005)
Met Ser His Gly
C16H26N6O6S (430.16344560000005)
Asn Asn Pro Ser
Asn Asn Ser Pro
Asn Pro Asn Ser
Asn Pro Ser Asn
Asn Ser Asn Pro
Asn Ser Pro Asn
Pro Ala Asp Glu
C17H26N4O9 (430.16997060000006)
Pro Ala Glu Asp
C17H26N4O9 (430.16997060000006)
Pro Cys Asp Pro
C17H26N4O7S (430.15221260000004)
Pro Cys Pro Asp
C17H26N4O7S (430.15221260000004)
Pro Asp Ala Glu
C17H26N4O9 (430.16997060000006)
Pro Asp Cys Pro
C17H26N4O7S (430.15221260000004)
Pro Asp Glu Ala
C17H26N4O9 (430.16997060000006)
Pro Asp Pro Cys
C17H26N4O7S (430.15221260000004)
Pro Glu Ala Asp
C17H26N4O9 (430.16997060000006)
Pro Glu Asp Ala
C17H26N4O9 (430.16997060000006)
Pro Glu Glu Gly
C17H26N4O9 (430.16997060000006)
Pro Glu Gly Glu
C17H26N4O9 (430.16997060000006)
Pro Gly Glu Glu
C17H26N4O9 (430.16997060000006)
Pro Asn Asn Ser
Pro Asn Ser Asn
Pro Pro Cys Asp
C17H26N4O7S (430.15221260000004)
Pro Pro Asp Cys
C17H26N4O7S (430.15221260000004)
Pro Ser Asn Asn
Ser Gly His Met
C16H26N6O6S (430.16344560000005)
Ser Gly Met His
C16H26N6O6S (430.16344560000005)
Ser His Gly Met
C16H26N6O6S (430.16344560000005)
Ser His Met Gly
C16H26N6O6S (430.16344560000005)
Ser His Ser Thr
Ser His Thr Ser
Ser Met Gly His
C16H26N6O6S (430.16344560000005)
Ser Met His Gly
C16H26N6O6S (430.16344560000005)
Ser Asn Asn Pro
Ser Asn Pro Asn
Thr Ala Cys His
C16H26N6O6S (430.16344560000005)
Thr Ala His Cys
C16H26N6O6S (430.16344560000005)
Thr Cys Ala His
C16H26N6O6S (430.16344560000005)
Thr Cys His Ala
C16H26N6O6S (430.16344560000005)
Thr His Ala Cys
C16H26N6O6S (430.16344560000005)
Thr His Cys Ala
C16H26N6O6S (430.16344560000005)
Cubebinone
8-Acetoxy-4'-methoxypinoresinol
Daidzein 4'-O-glucuronide
Daidzein 7-O-glucuronide
6-iodo-8Z,11Z,14Z-eicosatrien-5-olide
C20H31IO2 (430.13686959999995)
4-(4-dimethylaminophenyl)-3-methyl-1-phenylindeno[2,1-e]pyrazolo[3,4-b]pyridine-5(1H)-one
nalpha-(tert-butoxycarbonyl)-l-arginine 4-nitroanilide hydrochloride
2-[(Azidoacetyl)amino]-2-deoxy-D-glucopyranose 1,3,4,6-tetraacetate
C16H22N4O10 (430.13358719999997)
Hexasiloxane, 1,1,3,3,5,5,7,7,9,9,11,11-dodecamethyl-
C12H38O5Si6 (430.13347780000004)
(E/Z)-2-(2-Benzyloxycarbonylamino-4-thiazolyl)-4-(3-methyl-2-butenyloxycarbonyl)-2-butenoic acid
6-fluoro-1-(4-fluorophenyl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
C21H20F2N4O4 (430.14525440000006)
Ziprasidone Amino Acid
Ziprasidone amino acid (Ziprasidone Impurity C) is an impurity of Ziprasidone. Ziprasidone is a combined 5-HT (serotonin) and dopamine receptor antagonist. Ziprasidone exhibits potent effects of antipsychotic activity [1].
2-Pentenedioic acid, 2-[2-[[(phenylmethoxy)carbonyl]amino]-4-thiazolyl]-, 5-(3-methyl-2-butenyl) ester
5-TAMRA
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines
2-O-(O-NITROPHENYL)-ALPHA-D-N-ACETYLNEURAMINIC ACID
Coumarin 545T
C26H26N2O2S (430.17148960000003)
3-(S)-(+)-(1-Carbamoyl-1,1-diphenylmethyl)pyrroloidine-L-(+)-tartarate
2-O-(P-NITROPHENYL)-ALPHA-D-N-ACETYLNEURAMINIC ACID
3,5-Dichloro-N-({1-[(2,2-dimethyltetrahydro-2H-pyran-4-yl)methyl] -4-fluoro-4-piperidinyl}methyl)benzamide
C21H29Cl2FN2O2 (430.15900059999996)
2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate
C21H26N4O4S (430.16746760000007)
ethyl 1-cyclopropyl-6-fluoro-7-((4-isopropylthiazol-2-yl)methoxy)-4-oxo-1,4-dihydroquinoline-3-carboxylate
(2S,5R)-5-[(benzyloxy)amino]piperidine -2-carboxylic acid benzyl ester ethanedioate
2-ethoxy-1-{[2-(N-hydroxycarbamimidoyl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylic acid
4-[4-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
C21H17F3N4O3 (430.12526879999996)
ARS-1630
C21H17ClF2N4O2 (430.10080359999995)
ARS-1323, the racemate of ARS-1620, is a novel inhibitor of mutant K-ras G12C extracted from patent WO 2015054572 A1. ARS-1620 is an atropisomeric selective KRASG12C inhibitor with desirable pharmacokinetics. ARS-1630, a less active enantiomer of ARS-1620, is a novel inhibitor of mutant K-ras G12C extracted from patent WO 2015054572 A1.
2-Methoxy-5-[2-[[2-(2-methoxyphenoxy)ethyl]amino]propyl]benzenesulfonamide monohydrochloride
Phenyl 6-deoxy-2-O-(phenylmethyl)-1-thio-L-galactopyranoside diacetate
C23H26O6S (430.14500160000006)
Dantrolene Related Compound A (50 mg) (5-(4-nitrophenyl)-2-furaldehyde azine)
6-O-[4,6-O-[(R)-Phenylmethylene]-alpha-D-glucopyranosyl]-D-glucose
(S)-3,5-DICHLORO-N-((1-((2,2-DIMETHYLTETRAHYDRO-2H-PYRAN-4-YL)METHYL)-4-FLUOROPIPERIDIN-4-YL)METHYL)BENZAMIDE
C21H29Cl2FN2O2 (430.15900059999996)
trimethyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]oxysilane
C26H30O2Si2 (430.17842399999995)
Roniciclib (Synonyms: BAY 1000394)
C18H21F3N4O3S (430.12863920000007)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C2185 - Cyclin-Dependent Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
Pentizidone sodium
C16H24N4Na2O7 (430.14403139999996)
C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent
Episesartemin A
Isolated from roots of Artemisia absinthium (wormwood). Episesartemin A is found in alcoholic beverages and herbs and spices.
4-[(5-Naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-methoxybenzoate
3-Methoxy-4-(2-methoxy-3-methoxycarbonyl-1-naphthalenyl)-2-naphthalenecarboxylic acid methyl ester
6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-ethoxyphenyl)-7-triazolo[4,5-d]pyrimidinone
C23H22N6O3 (430.17533019999996)
3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)biphenyl-3-yl]-1H-1,2,4-triazole-5-carboxamide
C18H12F6N4O2 (430.08644039999996)
N-(2-Methoxyethyl)-4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-YL]pyrimidin-2-YL}amino)benzenesulfonamide
C20H26N6O3S (430.17870060000007)
N-(5-Chloro-1,3-benzodioxol-4-YL)-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
C20H19ClN4O5 (430.10439140000005)
(N-{4-[(Ethylanilino)sulfonyl]-2-methylphenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
C19H21F3N2O4S (430.11740620000006)
(3z)-1-[(6-Fluoro-4h-1,3-Benzodioxin-8-Yl)methyl]-4-[(E)-2-Phenylethenyl]-1h-Indole-2,3-Dione 3-Oxime
N-[1-(5-Bromo-2,3-Dimethoxybenzyl)piperidin-4-Yl]-4-Sulfanylbutanamide
C18H27BrN2O3S (430.09256519999997)
1-[4-[3,4,5-Trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyphenyl]ethanone
Formononetin-B-D-glucuronide sodium salt
(3S,5R,6S)-6-[2-(3-Benzoylphenyl)propanoyloxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
[(1E,7E,9E,11E)-3,6,13-trihydroxy-3-methyl-1-(6-oxo-2,3-dihydropyran-2-yl)trideca-1,7,9,11-tetraen-4-yl] dihydrogen phosphate
6-[(2R,3S,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
alvaradoin E
A C-glycosyl compound that is 1,8-dihydroxy-3-methylanthracen-9(10H)-one substituted by a (1-O-acetyl)-alpha-L-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 10S stereoisomer). It is isolated from the leaves of Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma.
Methyl {[5-(4-morpholinyl)-1,2,3,4-tetrahydropyrimido[4,5:4,5]thieno[2,3-c]isoquinolin-8-yl]thio}acetate
5-(1,3-benzodioxol-5-yl)-N-(2-furanylmethyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
C20H13F3N4O4 (430.08888540000004)
2-Methoxybenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one
C22H26N2O5S (430.15623460000006)
2-[[5-(2-furanyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(1H-indazol-6-yl)acetamide
C22H18N6O2S (430.12118879999997)
N,N-diethyl-3-[5-(ethylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide
N-[4-[[2-(4-hydroxyphenyl)-1,3-dioxo-5-isoindolyl]oxy]phenyl]-2,2-dimethylpropanamide
2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[2-(2-ethoxyphenoxy)-1-oxoethyl]acetohydrazide
Ethyl 4-[[3-(2-fluorophenyl)-1-methylthieno[2,3-c]pyrazole-5-carbonyl]amino]piperidine-1-carboxylate
C21H23FN4O3S (430.14748199999997)
N-[5-[2-(3-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]heptanamide
N-[5-[2-(2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]heptanamide
2-[(2-chloro-1-oxoethyl)-(2,2-dimethoxyethyl)amino]-2-(4-chlorophenyl)-N-cyclohexylacetamide
2-amino-N-[3-methoxy-5-[oxo-[3-(trifluoromethyl)anilino]methyl]phenyl]-4-pyridinecarboxamide
C21H17F3N4O3 (430.12526879999996)
7-Formyl-12,14-dimethyl-17-oxo-4-(prop-1-en-2-yl)-11,16,18,19-tetraoxapentacyclo[12.2.2.1~6,9~.0~1,15~.0~10,12~]nonadeca-6,8-dien-2-yl acetate
(1S,2R)-2-[[4-[(2,4-dimethylphenyl)sulfamoyl]anilino]-oxomethyl]-1-cyclohexanecarboxylic acid
C22H26N2O5S (430.15623460000006)
2-[(1S,3S,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
1-(3,4-Dichlorophenyl)-2-[2-imino-3-[2-(1-piperidinyl)ethyl]-1-benzimidazolyl]ethanone
C22H24Cl2N4O (430.13270739999996)
4-[2-[(5-Chloro-2-phenylmethoxyphenyl)methylamino]ethyl]benzenesulfonamide
2-[(2S,3S,6R)-3-(ethylsulfonylamino)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(4-phenylphenyl)acetamide
C22H26N2O5S (430.15623460000006)
2-[(1R,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
C23H27ClN2O4 (430.16592520000006)
2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
C23H27ClN2O4 (430.16592520000006)
2-[(1R,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
1-[(1S,2aR,8bR)-4-(2-fluorophenyl)sulfonyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone
1-[(1R,2aS,8bS)-4-(2-fluorophenyl)sulfonyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone
1-[(1S,2aS,8bS)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-phenylethanone
1-[(1S,2aR,8bR)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-phenylethanone
1,5-anhydro-2-O-(6-O-benzoyl-alpha-L-galactopyranosyl)-D-glucitol
2-[(2S,3R,6S)-3-(ethylsulfonylamino)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(4-phenylphenyl)acetamide
C22H26N2O5S (430.15623460000006)
2-[(2R,3S,6R)-3-(ethylsulfonylamino)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(4-phenylphenyl)acetamide
C22H26N2O5S (430.15623460000006)
2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
C23H27ClN2O4 (430.16592520000006)
2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
C23H27ClN2O4 (430.16592520000006)
2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
C23H27ClN2O4 (430.16592520000006)
2-[(1R,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
1-[(1R,2aR,8bR)-4-(2-fluorophenyl)sulfonyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone
1-[(1S,2aS,8bS)-4-(2-fluorophenyl)sulfonyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone
1-[(1R,2aR,8bR)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-phenylethanone
1-[(1R,2aS,8bS)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-phenylethanone
2-[(3S,6aR,8R,10aR)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide
(1S,5R)-3-(2-methylphenyl)sulfonyl-7-[4-[(E)-2-phenylethenyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane
C26H26N2O2S (430.17148960000003)
N-[(Z)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1-[(4-methylpyrimidin-2-yl)amino]-3-oxoprop-1-en-2-yl]benzamide
C23H22N6O3 (430.17533019999996)
6-(2-Benzoyloxy-5-prop-2-enylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
2-Chloro-4-[[7-methoxy-6-[3-[methyl(propyl)amino]propoxy]quinazolin-4-yl]amino]phenol
(2R)-3-hydroxy-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropanoic acid
6-[(2S,3S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
(2R,3R,4R)-4-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,3,5-trihydroxypentanoic acid
Syn-15-tert-butyl-18-methoxy-2,11-dithia-5,6,7,9-tetrafluoro(3.3)metacyclophane
2-O-[alpha-D-mannosyl-(1->2)-alpha-D-glucosyl]-D-glyceric acid
A glycoside consisting of D-glyceric acid having an alpha-D-mannosyl-(1->2)-alpha-D-glucosyl residue attached at position 2 via a glycosidic linkage.
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(7-hydroxy-4-oxo-1-benzopyran-3-yl)phenoxy]-2-oxanecarboxylic acid
BisMePA(15:4)
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ALDH1A2-IN-1
C21H26N4O4S (430.16746760000007)
ALDH1A2-IN-1 is an active site-directed reversible ALDH1A2 inhibitor (IC50=0.91 μM; Kd=0.26 μM) with several hydrophobic interactions[1].