Exact Mass: 398.14125420000005
Exact Mass Matches: 398.14125420000005
Found 500 metabolites which its exact mass value is equals to given mass value 398.14125420000005,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
AdoMet
[Spectral] S-Adenosyl-L-methionine (exact mass = 398.13724) and L-Histidine (exact mass = 155.06948) 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. A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AA - Amino acids and derivatives Acquisition and generation of the data is financially supported in part by CREST/JST. C26170 - Protective Agent > C275 - Antioxidant COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
BENZOYLARGININE NITROANILIDE
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D002863 - Chromogenic Compounds D004396 - Coloring Agents
S-adenosyl-4-methylthio-2-oxobutanoate
C15H20N5O6S+ (398.11342400000007)
S-adenosyl-4-methylthio-2-oxobutanoic acid is a member of the class of compounds known as 5-deoxy-5-thionucleosides. 5-deoxy-5-thionucleosides are 5-deoxyribonucleosides in which the ribose is thio-substituted at the 5position by a S-alkyl group. S-adenosyl-4-methylthio-2-oxobutanoic acid is practically insoluble (in water) and a moderately acidic compound (based on its pKa). S-adenosyl-4-methylthio-2-oxobutanoic acid can be found in a number of food items such as hard wheat, chinese cabbage, cauliflower, and kai-lan, which makes S-adenosyl-4-methylthio-2-oxobutanoic acid a potential biomarker for the consumption of these food products. S-adenosyl-4-methylthio-2-oxobutanoic acid exists in E.coli (prokaryote) and yeast (eukaryote).
4-Dedimethyl-6-dehydro-anhydrotetracycline
C20H18N2O7 (398.11139579999997)
Acroptilin
A sesquiterpene lactone that is isolated from Acroptilon repens and displays anti-allergic properties.
Anthricin
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D007155 - Immunologic Factors > D018796 - Immunoconjugates D007155 - Immunologic Factors > D007136 - Immunoglobulins D007155 - Immunologic Factors > D000906 - Antibodies D009676 - Noxae > D000922 - Immunotoxins Deoxypodophyllotoxin (DPT), a derivative of podophyllotoxin, is a lignan with potent antimitotic, anti-inflammatory and antiviral properties isolated from Anthriscus sylvestris. Deoxypodophyllotoxin, targets the microtubule, has a major impact in oncology not only as anti-mitotics but also as potent inhibitors of angiogenesis[1]. Deoxypodophyllotoxin induces cell autophagy and apoptosis[2]. Deoxypodophyllotoxin evokes increase of intracellular Ca2+ concentrations in DRG neurons[3]. Deoxypodophyllotoxin (DPT), a derivative of podophyllotoxin, is a lignan with potent antimitotic, anti-inflammatory and antiviral properties isolated from Anthriscus sylvestris. Deoxypodophyllotoxin, targets the microtubule, has a major impact in oncology not only as anti-mitotics but also as potent inhibitors of angiogenesis[1]. Deoxypodophyllotoxin induces cell autophagy and apoptosis[2]. Deoxypodophyllotoxin evokes increase of intracellular Ca2+ concentrations in DRG neurons[3].
Taraxacoside
Constituent of Taraxacum officinale (dandelion). Taraxacoside is found in many foods, some of which are coffee and coffee products, alcoholic beverages, tea, and dandelion. Taraxacoside is found in alcoholic beverages. Taraxacoside is a constituent of Taraxacum officinale (dandelion)
Dulxanthone E
Dulxanthone E is found in fruits. Dulxanthone E is a constituent of Garcinia dulcis (mundu). Constituent of Garcinia dulcis (mundu). Dulxanthone E is found in fruits.
5'-Methoxycurcumin
Constituent of Curcuma xanthorrhiza (Java turmeric). 5-Methoxycurcumin is found in herbs and spices, beverages, and root vegetables. 5-Methoxycurcumin is found in beverages. 5-Methoxycurcumin is a constituent of Curcuma xanthorrhiza (Java turmeric).
Picraquassioside A
Picraquassioside A is found in herbs and spices. Picraquassioside A is a constituent of Ruta graveolens (rue). Constituent of Ruta graveolens (rue). Picraquassioside A is found in herbs and spices.
Methyl (3x,10R)-dihydroxy-11-dodecene-6,8-diynoate 10-glucoside
Methyl (3x,10R)-dihydroxy-11-dodecene-6,8-diynoate 10-glucoside is found in root vegetables. Methyl (3x,10R)-dihydroxy-11-dodecene-6,8-diynoate 10-glucoside is a constituent of Helianthus tuberosus (Jerusalem artichoke). Constituent of Helianthus tuberosus (Jerusalem artichoke). Methyl (3x,10R)-dihydroxy-11-dodecene-6,8-diynoate 10-glucoside is found in root vegetables.
Kanzonol M
Kanzonol M is found in herbs and spices. Kanzonol M is a constituent of the roots of Glycyrrhiza uralensis (Chinese licorice). Constituent of the roots of Glycyrrhiza uralensis (Chinese licorice). Kanzonol M is found in herbs and spices.
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide
5-(3,4-dihydroxyphenyl)-gamma-valerolactone glucuronide is a cocoa metabolite from gut microflora. It is found in urine.
N-Feruloylglycyl-L-phenylalanine
N-Feruloylglycyl-L-phenylalanine is found in pulses. N-Feruloylglycyl-L-phenylalanine is a constituent of Medicago sativa (alfalfa)
Methyl acrylate-divinylbenzene, completely hydrolyzed, copolymer
Methyl acrylate-dvb(2\\%), copolymer, aminolyzed with dmapa is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
Methyl 3,4-dihydroxy-5-prenylbenzoate 3-glucoside
Methyl 3,4-dihydroxy-5-prenylbenzoate 3-glucoside is found in pomes. Methyl 3,4-dihydroxy-5-prenylbenzoate 3-glucoside is a constituent of apple leaves (Malus domestica). Constituent of apple leaves (Malus domestica). Methyl 3,4-dihydroxy-5-prenylbenzoate 3-glucoside is found in pomes.
5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-3'-O-methyl-4'-O-glucuronide
5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-3-O-methyl-4-O-glucuronide is a conjugate of 5-(3,4-dihydroxyphenyl)-gamma-valerolactone-3-O-methyl and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)
5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-methyl-3'-O-glucuronide
5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-4-O-methyl-3-O-glucuronide is a conjugate of 5-(3,4-dihydroxyphenyl)-gamma-valerolactone-4-O-methyl and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)
5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone-O-glucuronide-O-methyl
5-(3,5-Dihydroxyphenyl)-gamma-valerolactone-O-glucuronide-O-methyl belongs to the family of Mixed Pentose/Hexose Disaccharides. These are disaccharides containing both an hexose and a pentose.
Eletriptan N-oxide
C22H26N2O3S (398.1664046000001)
Eletriptan N-oxide is a metabolite of eletriptan. Eletriptan (also known as eletriptan hydrobromide) is a second generation triptan drug intended for treatment of migraine headaches. It is used as an abortive medication, blocking a migraine attack which is already in progress. Eletriptan is marketed and manufactured by Pfizer Inc. It is sold in the US and Canada under the brand name Relpax, and in several other countries under the brand name Relert. (Wikipedia)
(-)-Deoxypodophyllotoxin
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D007155 - Immunologic Factors > D018796 - Immunoconjugates D007155 - Immunologic Factors > D007136 - Immunoglobulins D007155 - Immunologic Factors > D000906 - Antibodies D009676 - Noxae > D000922 - Immunotoxins
BENZOYLARGININE NITROANILIDE
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D002863 - Chromogenic Compounds D004396 - Coloring Agents
Benzenesulfonamide, 2-(cyclohexylamino)-N-(((1,1-dimethylethyl)amino)carbonyl)-5-nitro-
C17H26N4O5S (398.16238260000006)
Camostat
COVID info from Guide to PHARMACOLOGY, clinicaltrial, clinicaltrials, clinical trial, clinical trials, COVID-19 Disease Map B - Blood and blood forming organs > B02 - Antihemorrhagics > B02A - Antifibrinolytics > B02AB - Proteinase inhibitors D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Finafloxacin
Fursultiamine
Idalopirdine
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist
Darolutamide
C19H19ClN6O2 (398.12579439999996)
Omarigliptin
C17H20F2N4O3S (398.12241140000003)
(2S)-2-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylamino]-4-methylsulfanylbutanoic acid
1-[[(2S,3S,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methoxy]propan-2-one
C15H26O12 (398.14241960000004)
5-Sinapoylquinic acid
5-sinapoylquinic acid belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 5-sinapoylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 5-sinapoylquinic acid can be found in a number of food items such as apple, european plum, sour cherry, and pear, which makes 5-sinapoylquinic acid a potential biomarker for the consumption of these food products.
4-Sinapoylquinic acid
4-sinapoylquinic acid belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 4-sinapoylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 4-sinapoylquinic acid can be found in a number of food items such as apricot, peach (variety), sweet cherry, and pear, which makes 4-sinapoylquinic acid a potential biomarker for the consumption of these food products.
3-Sinapoylquinic acid
3-sinapoylquinic acid belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 3-sinapoylquinic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 3-sinapoylquinic acid can be found in a number of food items such as sour cherry, sweet cherry, european plum, and peach (variety), which makes 3-sinapoylquinic acid a potential biomarker for the consumption of these food products. .
Pennicitrinone C
A pyranoxanthene that is 3,5-dihydro-2H-pyrano[4,3,2-kl]xanthene substituted by methyl groups at positions 2R, 3S, 4, and 10, by an oxo group at position 5, by hydroxy groups at positions 8 and 10, and by a (2S,3S)-3-hydroxybutan-2-yl group at position 9. It is a natural product isolated from the fungus Penicillium citrinum B-57. D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
1S-Hydroxy-1,2-dihydrosphaerococcenol A
C20H31BrO3 (398.14564359999997)
Laccaridione B
An organic heterotricyclic compound that is 1H-benzo[g]isochromene-8,9-dione substituted by an ethoxy group at position 1, hydroxy group at position 10, a methoxy group at position 7 and a 4-methylhex-2-en-2-yl group at position 3. Isolated from the stem of the fruiting bodies of the basidiomycete strain Laccaria amethystea, it exhibits inhibitory activity against proteases.
3beta,4beta,5-Trimethoxy-4-hydroxy- (6:7)-2,2-dimethylpyranoflavan
(3alpha,4beta,7alpha,8alpha)-12,13-Epoxytrichothec-9-ene-3,4,7,8,15-pentol 4,15-diacetate
Cnidioside B
NCGC00384499-01_C18H22O10_5-Benzofuranpropanoic acid, 6-(beta-D-glucopyranosyloxy)-7-methoxy- is a natural product found in Picrasma quassioides, Ruta graveolens, and Ammi majus with data available.
[4S-(4alpha,4aalpha,5alpha,6alpha)]-4,4a,5,6,7,9-Hexahydro-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4,6-diyl ester 2-methyl-2-propenoic acid
6-Prenylherbacetin 3,8-dimethyl ether
6-Prenylquercetin 3-methyl ether
Artoindonesianin Q
Artoindonesianin R
5,7-Dihydroxy-3-methoxy-2-[3-methoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-4H-1-benzopyran-4-one
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one
4-amino-3-(1-(4-fluorobenzyl)-1H-indazole-3-carboxamido)-2-methyl-4-oxobutanoicacid
2-amino-5-[2-[[(3S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-5-oxopentanoic acid
5-Demethoxy-beta-peltatin-A-methylaether|5-demethoxy-beta-peltatin-A-methylether|5-desmethoxy-beta-peltatin A methyl ether
3-acetoxymethyl-5-((E)-2-formylethen-1-yl)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydrobenzofuran
((2R)-(3at,6at)-hexahydro-2r,4c-methano-furo[3,2-b]pyrrol-3c-yl)-methyl-carbamic acid (7aS)-1c-acetylamino-7xi-chloro-(7ar)-hexahydro-pyrrolizin-2t-yl ester|Lolidin
(3R,5S,6S,8S,9S,10R,13R)-3-bromo-6-hydroxy-8,13-epoxylabd-14-en-1-one
C20H31BrO3 (398.14564359999997)
8,9-dihydro-3,5,7-trihydroxy-1,8,8,9-tetramethyl-5-(2-oxopropyl)-4h-phenaleno[1,2-b]furan-4,6(5h)-dione
6-carboxyethyl-7-methoxy-5-hydroxybenzofuran 5-O-beta-D-glucopyranoside|Picraquassioside A
5,7-dihydroxy-6-methyl-4-phenyl-8-(3-phenyl-trans-acryloyl)-1-benzopyran-2-one|interruptin B
6-acetyl-3-(3,5-dimethyl-1E,3E-heptadien-7-ol)-9R-hydroxy-8a(R)-methyl-7H-furo[2,3-g]-2-benzopyran-7-one|rotiorinol C
3,4-Teracrylshikonin|Teracryl-shikonin|teracrylshikonin
14R-hydroxy-13,14-dihydro-sphaerococcenol A|14R-hydroxy-13,14-dihydro-sphaerococcenol-A
C20H31BrO3 (398.14564359999997)
6,13-dihydro-dibenzo[b,i]phenazine-5,12-dicarboxylic acid dimethyl ester|Caulerpin
Me ester,tri-Me ether-1,6,8-Trihydroxy-3-propylanthraquinone-2-carboxylic acid
6,8-dihydroxy-5-methoxy-3-methylisocoumarin 6-O-(4-O-methyl-beta-D-glucopyranoside)
3-ethyl-6-(4-O-methyl-beta-D-glucopyranosyloxy)-8-hydroxy-7-methyl-3,4-dihydroisocoumarin
(S)-2,3-dihydro-8-(3-hydroxy-3-methyl-1-butenyl)-5,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one|glypuberol
1,3,7-trihydroxy-2-(3-methyl-2-butenyl)-8-(3-hydroxy-3-methylbutyl)-xanthone
3R-(+)-5-O-[6-O-acetyl]-alpha-D-glucopyranosyl-5-hydroxymellein
9-(benzo[d][1,3]dioxol-5-yl)-6,7,8-trimethoxy-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3h)-one
12-senecioyloxytetradeca-2E,8Z,10E-trien-4,6-diyne-1,14-diacetate|atractylodemayne C
(S)-3,5-dihydroxy-2,7-dimethoxy-2,2-dimethylpyrano[5,6:3,4]isoflavanone|sophoronol-7-methyl ether
(+)-(1S,3R,4R,5R,6S,7R,8S)-3-chloro-1,4-dihydroxy-8-isovaleryloxyguai-9,11(13)-dien-6,12-olide|argyinolide C
C20H27ClO6 (398.14960720000005)
5-hydroxy-3,7-dimethoxy-4-(1-hydroxy-3-methylbut-3-en-2-yloxy)-flavone
(+)-(1S,3R,4R,5R,6S,7R,8S)-3-chloro-1,4-dihydroxy-8-(2-xi-methylbutyryloxy)guai-9,11(13)-dien-6,12-olide|argyinolide D
C20H27ClO6 (398.14960720000005)
4-(3,4,8,9-Tetrahydro-8-isopropenyl-5-methoxy-6-methyl-2H-furo[2,3-h]-1-benzopyran-3-yl)-3-methoxy-1,2-benzenediol
canthin-6-one 9-O-beta-glucopyranoside|Canthin-6-one 9-O-??-glucopyranoside
C20H18N2O7 (398.11139579999997)
desacyl-11,13-dihydrochlorojanerin 8-O-angelate
C20H27ClO6 (398.14960720000005)
Schisandrin C epoxide
OC1=C(C(=CC=2C(C3=CC(=CC(=C3C(C1=2)=O)OC)OC)=O)O)C1OC(CCC1)C
(S)-2,3-dihydro-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one|5-O-methylglovanon|5-O-MG
14-angeloyloxy-3beta-hydroxycacalohastin propionate
15-bromo-2,7,16-trihydroxy-9(11)-parguerene
C20H31BrO3 (398.14564359999997)
6-acetyl-3-(5-hydroxy-3,5-dimethyl-1E,3E-heptadienyl)-9R-hydroxy-8a(R)-methyl-7H-furo[2,3-g]-2-benzopyran-7-one|rotiorinol B
1,4,5,6-tetrahydroxy-7,8-di(3-methylbut-2-enyl)xanthone
(1beta,6alpha)-1,6-dihydroxy-14-O-[(4-hydroxyphenyl)acetyl]eudesma-3,11(13)-dien-12-oic acid gamma-lactone|4-hydroxybenzeneacetic acid rel-[(3aR,5aS,6S,9aR,9bR)-2,3,3a,4,5,5a,6,7,9a,9b-decahydro-6-hydroxy-5a-methyl-3-methylene-2-oxonaphtho[1,2-b]furan-9-yl]methyl ester
methyl 5,10-dihydroxy-7-methoxy-1,1,3a-trimethyl-1a,2,3,3a,10c,10d-hexahydro-1H-4-oxacyclobuta[cd]indeno[5,6-a]naphthalene-9-carboxylate
(7S,8R,8R)-9-O-acetyldihydrosesamin|Dihydrosesamin acetate
SchisantherinR
AS 2-3
Deoxypodophyllotoxin is a member of the class of furonaphthodioxoles that is (5R,5aR,8aR)-5,8,8a,9-tetrahydro-2H-furo[3,4:6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one substituted at position 5 by a 3,4,5-trimethoxyphenyl group. It has a role as a plant metabolite, an antineoplastic agent and an apoptosis inducer. It is a lignan, a furonaphthodioxole, a gamma-lactone and a member of methoxybenzenes. Deoxypodophyllotoxin is a natural product found in Austrocedrus chilensis, Libocedrus bidwillii, and other organisms with data available. A member of the class of furonaphthodioxoles that is (5R,5aR,8aR)-5,8,8a,9-tetrahydro-2H-furo[3,4:6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one substituted at position 5 by a 3,4,5-trimethoxyphenyl group. D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D007155 - Immunologic Factors > D018796 - Immunoconjugates D007155 - Immunologic Factors > D007136 - Immunoglobulins D007155 - Immunologic Factors > D000906 - Antibodies D009676 - Noxae > D000922 - Immunotoxins Deoxypodophyllotoxin (DPT), a derivative of podophyllotoxin, is a lignan with potent antimitotic, anti-inflammatory and antiviral properties isolated from Anthriscus sylvestris. Deoxypodophyllotoxin, targets the microtubule, has a major impact in oncology not only as anti-mitotics but also as potent inhibitors of angiogenesis[1]. Deoxypodophyllotoxin induces cell autophagy and apoptosis[2]. Deoxypodophyllotoxin evokes increase of intracellular Ca2+ concentrations in DRG neurons[3]. Deoxypodophyllotoxin (DPT), a derivative of podophyllotoxin, is a lignan with potent antimitotic, anti-inflammatory and antiviral properties isolated from Anthriscus sylvestris. Deoxypodophyllotoxin, targets the microtubule, has a major impact in oncology not only as anti-mitotics but also as potent inhibitors of angiogenesis[1]. Deoxypodophyllotoxin induces cell autophagy and apoptosis[2]. Deoxypodophyllotoxin evokes increase of intracellular Ca2+ concentrations in DRG neurons[3].
isoanthricin
Ademetionine
A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AA - Amino acids and derivatives A sulfonium betaine that is a conjugate base of S-adenosyl-L-methionine obtained by the deprotonation of the carboxy group. C26170 - Protective Agent > C275 - Antioxidant COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Physiologic methyl radical donor involved in enzymatic transmethylation reactions and present in all living organisms. It possesses anti-inflammatory activity and has been used in treatment of chronic liver disease. (From Merck, 11th ed) [HMDB]
2-(4,5-dihydroxy-7,7a-dimethyl-2-oxo-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-1a-yl)prop-2-enyl 2,3,4-trihydroxybutanoate
(5-benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate
[2-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
C18H22O10_5-Benzofuranpropanoic acid, 4-(beta-D-glucopyranosyloxy)-6-methoxy
C18H26N2O8_1,5-Dideoxy-3-C-({[2-(gamma-glutamylamino)benzyl]oxy}carbonyl)-L-arabinitol
C18H22O10_5-Benzofuranpropanoic acid, 6-(beta-D-glucopyranosyloxy)-7-methoxy
(5-benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate
(5-benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate [IIN-based on: CCMSLIB00000848473]
[2-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based on: CCMSLIB00000848893]
[2-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based on: CCMSLIB00000848892]
[2-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based: Match]
(5-benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate [IIN-based: Match]
(5-benzoyloxy-4,6-dihydroxy-3-methoxycyclohexen-1-yl)methyl benzoate_major
S-Adenosylmethionine
S-Adenosyl-DL-methionine is a derivative of Ademetionine (HY-B0617). Ademetionine is an intermediate metabolite of methionine[1].
Ala Asp Gly His
Ala Asp His Gly
Ala Gly Asp His
Ala Gly His Asp
Ala His Asp Gly
Ala His Gly Asp
Cys Gly Gly Tyr
Cys Gly Tyr Gly
Cys Tyr Gly Gly
Asp Ala Gly His
Asp Ala His Gly
Asp Gly Ala His
Asp Gly His Ala
Asp His Ala Gly
Asp His Gly Ala
Glu Gly Gly His
Glu Gly His Gly
Glu His Gly Gly
Gly Ala Asp His
Gly Ala His Asp
Gly Cys Gly Tyr
Gly Cys Tyr Gly
Gly Asp Ala His
Gly Asp His Ala
Gly Glu Gly His
Gly Glu His Gly
Gly Gly Cys Tyr
Gly Gly Glu His
Gly Gly His Glu
Gly Gly Tyr Cys
Gly His Ala Asp
Gly His Asp Ala
Gly His Glu Gly
Gly His Gly Glu
Gly Tyr Cys Gly
Gly Tyr Gly Cys
His Ala Asp Gly
His Ala Gly Asp
His Asp Ala Gly
His Asp Gly Ala
His Glu Gly Gly
His Gly Ala Asp
His Gly Asp Ala
His Gly Glu Gly
His Gly Gly Glu
Tyr Cys Gly Gly
Tyr Gly Cys Gly
Tyr Gly Gly Cys
D 4476
C23H18N4O3 (398.13788379999994)
5-(3,4-dihydroxyphenyl)-gamma-valerolactone glucuronide
N-Feruloylglycyl-L-phenylalanine
Taraxacoside
Methyl acrylate-divinylbenzene, completely hydrolyzed, copolymer
Methyl 3,4-dihydroxy-5-prenylbenzoate 3-glucoside
Methyl (3x,10R)-dihydroxy-11-dodecene-6,8-diynoate 10-glucoside
Kanzonol M
Picraquassioside A
N5-(2-((((S)-2,3-dihydroxy-2-((S)-1-hydroxyethyl)butanoyl)oxy)methyl)phenyl)glutamine
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-(2-chlorophenyl)-N-cyclopentyl- (9CI)
C21H23ClN4S (398.13318680000003)
(E)-1,4,5,6-tetrahydro-1-methyl-2-[2-(2-thienyl)vinyl]pyrimidine citrate (1:1)
Finafloxacin
A quinolone that is 4-oxo-1,4-dihydroquinoline-3-carboxylic acid which is substituted at positions 1, 6, 7 and 8 by cyclopropyl, fluoro, hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl and cyano groups respectively; an antibiotic used for treatment of acute otitis externa (swimmers ear) caused by the bacteria Pseudomonas aeruginosa and Staphylococcus aureus. D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
2-METHOXY-4-(2-NITROVINYL)PHENYL-2-ACETAMIDO-2-DEOXY-BETA-GLUCOPYRANOSIDE
C17H22N2O9 (398.13252420000003)
Safinamide Mesylate
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
1-Tosyl-1H-Pyrrolo[2,3-b]pyridine-4-boronic acid pinacol ester
Omarigliptin
C17H20F2N4O3S (398.12241140000003)
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98086 - Dipeptidyl Peptidase-4 Inhibitor C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
1-(benzenesulfonyl)-2-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-TOSYL-1H-PYRROLO[2,3-B]PYRIDINE
2-Methyl-N-{4-[(5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)car bonyl]phenyl}benzamide
C25H22N2O3 (398.16303419999997)
Methanone, (3,5-dimethyl-4-isoxazolyl)[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-
(Z)-4-(benzo[d][1,3]dioxol-5-ylmethyl)-3-(3,4,5-triMethoxybenzylidene)dihydrofuran-2(3H)-one
5-ACETAMIDO-2-ACETOXY-4-DIMETHYLAMINO-2-METHOXYCARBONYL-BENZOPHENONE
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-pyrrolo[2,3-c]pyridine
4-acetamido-2-acetoxy-4-dimethylamino-2-methoxycarbonyl-benzophenone
(2,6-Dimethoxy-[1,1-biphenyl]-2-yl)diphenylphosphine
Benzo1,2-b:4,5-bdifuran-2,6-dione, 3-phenyl-7-(4-propoxyphenyl)-
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-(4-chlorophenyl)-N-cyclopentyl- (9CI)
C21H23ClN4S (398.13318680000003)
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-(3-chlorophenyl)-N-cyclopentyl- (9CI)
C21H23ClN4S (398.13318680000003)
1,5-divinyl-3,3-diphenyl-1,1,5,5-tetramethyltrisiloxane
ODM-201
C19H19ClN6O2 (398.12579439999996)
L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BB - Anti-androgens C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C146993 - Androgen Receptor Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen
(R)-2-[4-(2-fluorobenzyloxy)benzylamino]propanamide methanesulfonate
C17H19FN2O2.CH4O3S (398.131164)
Chloro(crotyl)(tri-tert-butylphosphine)palladium(II)
Guanidine, (4-pyridylmethyl)-, sulfate (2:1) (8CI)
C14H22N8O4S (398.14846520000003)
8-(4-ethoxyphenyl)-2-methyl-4,7-dioxo-5-phenyl-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
C23H18N4O3 (398.13788379999994)
1,2-bis-(Benzyloxycarbonyl)piperazine-3-carboxylic acid
1-(2,3,4,6-TETRA-O-ACETYL-B-D-GLUCOPYRANOSYL)IMIDAZOLE
C17H22N2O9 (398.13252420000003)
(S)-1-(1-(4-Chloro-2-methoxyphenyl)-5-fluoro-1,9-dihydrospiro[cyclopropane-1,4-pyrido[3,4-b]indol]-2(3H)-yl)ethan-1-one
N-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}carbamoyl)-2-(4-fluorophenyl)acetamide
C20H16F2N4O3 (398.1190409999999)
Rotiorinol C
An azaphilone that is 9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one substituted by an acetyl group at position 3, a hydroxy group at position 9, a 7-hydroxy-3,5-dimethylhepta-1,3-dien-1-yl group at position 6 and a methyl group at position 9a. It has been isolated from Chaetomium cupreum and exhibits antifungal activity.
5,7,3-Trihydroxy-3,5-dimethoxy-2-(3-methylbut-2-enyl)flavone
A trihydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 7 and 3, methoxy groups at positions 3 and 5 and a prenyl group at position 2. Isolated from Tabernaemontana macrocarpa, it exhibits inhibitory activity against breast cancer resistance protein.
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione
C25H22N2O3 (398.16303419999997)
Ethyl 3-({[(benzyloxy)imino]methyl}amino)-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxylate
C20H22N4O3S (398.14125420000005)
4-Amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester
7-(2,5-Dimethoxyphenyl)-5-(trifluoromethyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester
2-((S)-2-((S)-2-Amino-3-(1H-imidazol-4-yl)propanamido)-3-(1H-indol-3-yl)propanamido)acetic acid
4-{[5-Chloro-4-(1h-Indol-3-Yl)pyrimidin-2-Yl]amino}-N-Ethylpiperidine-1-Carboxamide
1,3,4,9-Tetrahydro-2-(hydroxybenzoyl)-9-[(4-hydroxyphenyl)methyl]-6-methoxy-2H-pyrido[3,4-B]indole
C25H22N2O3 (398.16303419999997)
1-((2-Hydroxyethoxy)methyl)-5-(3-(benzyloxy)benzyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
3,3-[3,5-Difluoro-4-methyl-2,6-pyridylenebis(oxy)]-bis(benzenecarboximidamide)
C20H18F2N5O2+ (398.14284919999994)
Camostat
COVID info from Guide to PHARMACOLOGY, clinicaltrial, clinicaltrials, clinical trial, clinical trials, COVID-19 Disease Map B - Blood and blood forming organs > B02 - Antihemorrhagics > B02A - Antifibrinolytics > B02AB - Proteinase inhibitors D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Idalopirdine
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist
S-Adenosyl-DL-methionine
S-Adenosyl-DL-methionine is a derivative of Ademetionine (HY-B0617). Ademetionine is an intermediate metabolite of methionine[1].
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide
5-(3,4-dihydroxyphenyl)-gamma-valerolactone glucuronide is a cocoa metabolite from gut microflora. It is found in urine.
(4S,4aS,12aS)-4-amino-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide
C20H18N2O7 (398.11139579999997)
3-O-sinapoylquinic acid
A cinnamate ester obtained by formal condensation of the carboxy group of sinapic acid with the 3-hydroxy group of (-)-quinic acid.
(2S)-2-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylamino]-4-methylsulfanylbutanoic acid
1-[[(2S,3S,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methoxy]propan-2-one
C15H26O12 (398.14241960000004)
Chaetoviridin H
An azaphilone that is 6H-furo[2,3-h]isochromene-6,8(6aH)-dione substituted by a 3-hydroxy-2-methylbutanoyl group at position 9, a methyl group at position 6a and a 3-methylpent-1-en-1yl group at position 3. It has been isolated from Chaetomium globosum.
2-[(2-propyl-4-quinazolinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
[4-(2-Methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-thiophen-2-ylmethanone
4-(1-Naphthylmethoxy)benzaldehyde (5-nitro-2-pyridinyl)hydrazone
C23H18N4O3 (398.13788379999994)
4-[[Oxo-(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)methyl]amino]benzoic acid methyl ester
C23H18N4O3 (398.13788379999994)
4-(1H-indol-3-yl)butanoic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester
N-((S,E)-5-Phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)pyrrolidine-2-carboxamide
C22H26N2O3S (398.1664046000001)
4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methoxyphenyl)methyl ester
7-(2,3-Dimethoxyphenyl)-5-(trifluoromethyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester
7-hydroxy-4-(4-methoxyphenyl)-4,4,5-trimethyl-2-spiro[1,3-diazinane-6,2-3,4-dihydro-2H-1-benzopyran]thione
C22H26N2O3S (398.1664046000001)
N-[2-(4-chlorophenyl)ethyl]-2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]acetamide
N-(2-hydroxy-5-nitrobenzylidene)-1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarbohydrazide
C19H18N4O6 (398.12262880000003)
(-)-6,8-Dihydroxy-5-methoxy-3-methylisocoumarin 6-O-(4-O-methyl-beta-D-glucopyranoside)
A natural product found in Conoideocrella tenuis.
methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)valyl]amino}propanoate
4-[3-(3-dioxaziridinyl)phenyl]-5-(3-hydroxy-1-oxopropyl)-2,6-dimethyl-1-prop-2-ynyl-4H-pyridine-3-carboxylic acid methyl ester
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo(3-pyridinyl)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
(5Z,11R)-3-[(4-chlorophenyl)methyl]-11-phenyl-1-oxa-3,10-diazacyclododec-5-ene-2,9-dione
(2R,3R,4S)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
C21H19FN2O3S (398.11003560000006)
(2S,3R,4S)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
C21H19FN2O3S (398.11003560000006)
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-(4,5-dihydroxy-7,7a-dimethyl-2-oxo-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-1a-yl)prop-2-enyl 2,3,4-trihydroxybutanoate
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo(3-pyridinyl)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3S,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1R,3S,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C18H26N2O6S (398.15114960000005)
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C18H26N2O6S (398.15114960000005)
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C18H26N2O6S (398.15114960000005)
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C18H26N2O6S (398.15114960000005)
(2S,3S,4R)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
C21H19FN2O3S (398.11003560000006)
[(3aR,4R,9bR)-1-(4-methylphenyl)sulfonyl-8-[(E)-prop-1-enyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
C22H26N2O3S (398.1664046000001)
(6R,7S,8S)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8S)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo(3-pyridinyl)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo(3-pyridinyl)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo(3-pyridinyl)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo(3-pyridinyl)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3R,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1S,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1R,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1S,3S,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1S,3R,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C18H26N2O6S (398.15114960000005)
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C18H26N2O6S (398.15114960000005)
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C18H26N2O6S (398.15114960000005)
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C18H26N2O6S (398.15114960000005)
(2S,3R,4R)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
C21H19FN2O3S (398.11003560000006)
(2R,3S,4S)-1-ethylsulfonyl-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
C21H19FN2O3S (398.11003560000006)
[(3aS,4S,9bS)-1-(4-methylphenyl)sulfonyl-8-[(E)-prop-1-enyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
C22H26N2O3S (398.1664046000001)
(6R,7S,8R)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8R)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8R)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8R)-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
3,4,5-Trihydroxy-6-[5-(4-methoxyphenyl)-2-methyl-3-oxopentoxy]oxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[5-(4-methoxyphenyl)-2-methyl-3-oxopentan-2-yl]oxyoxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[1-(4-methoxyphenyl)-4-methyl-3-oxopentoxy]oxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[1-(4-methoxyphenyl)-4-methyl-3-oxopentan-2-yl]oxyoxane-2-carboxylic acid
[2-hydroxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
S-adenosyl-4-methylthio-2-oxobutanoate
C15H20N5O6S+ (398.11342400000007)
4-amino-4-de(dimethylamino)anhydrotetracycline zwitterion
C20H18N2O7 (398.11139579999997)
A zwtterion obtained by transfer of a proton from the 2-hydroxy to the primary amino group of 4-amino-4-de(dimethylamino)anhydrotetracycline. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
5-(3,4-dihydroxyphenyl)-gamma-valerolactone-3-O-glucuronide
4-methoxy-N-(2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzohydrazide
5-(3,5-Dihydroxyphenyl)-gamma-valerolactone-O-glucuronide-O-methyl
5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-4-O-methyl-3-O-glucuronide
5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-3-O-methyl-4-O-glucuronide
4-O-sinapoylquinic acid
A cinnamate ester obtained by formal condensation of the carboxy group of sinapic acid with the 4-hydroxy group of (-)-quinic acid.
5-O-sinapoylquinic acid
A cinnamate ester obtained by formal condensation of the carboxy group of sinapic acid with the 5-hydroxy group of (-)-quinic acid.
4-amino-4-de(dimethylamino)anhydrotetracycline
C20H18N2O7 (398.11139579999997)
A member of the class of tetracyclines that is anhydrotetracycline in which the two methyl groups attached to the nitrogen have both been replaced by hydrogen.
S-Adenosyl-4-methylthio-2-oxobutanoic acid
C15H20N5O6S (398.11342400000007)
A sulfonium compound comprising 4-methylthio-2-oxobutanoic acid having an adenosin-5-yl group attached to the sulfur.
Didesmethyl cariprazine
Didesmethyl cariprazine is a metabolite of Cariprazine and acts as the predominant circulating active moiety. Didesmethyl cariprazine has a long half-life of 1-3 weeks. Cariprazine is a antipsychotic agent candidate that exhibits high affinity for the D3 and D2 receptors, and moderate affinity for the 5-HT1A receptor[1].
(1s,6r,9r,12r,13r,14r,15r,16s)-15-chloro-13,14-dihydroxy-6-[(2r)-1-hydroxypropan-2-yl]-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2,7-diene-4,11-dione
9-(3-hydroxy-2-methylbutanoyl)-6a-methyl-3-(3-methylpent-1-en-1-yl)furo[2,3-h]isochromene-6,8-dione
(3ar,4s,6ar,8s,9s,9as,9bs)-8-hydroxy-3,6-dimethylidene-2-oxo-octahydrospiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl (2r)-3-chloro-2-hydroxy-2-methylpropanoate
3-oxo-3-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(5-isopropyl-2-methylphenoxy)oxan-2-yl]methoxy}propanoic acid
(5r,6s)-4-[(acetyloxy)methyl]-9-methoxy-3,5-dimethyl-5h,6h-naphtho[2,3-b]furan-6-yl (2z)-2-methylbut-2-enoate
5,10-dihydroxy-7-methoxy-2-methyl-6-[(1e)-3-methylbut-1-en-1-yl]-4-oxo-1,3-dihydroanthracen-2-yl acetate
(1r,4s,5s,6s)-5-[(benzoyloxy)methyl]-5,6-dihydroxy-4-methoxycyclohex-2-en-1-yl benzoate
(10r,11s,15s)-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one
16-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one
5,7-dihydroxy-6-methyl-4-phenyl-8-(3-phenylprop-2-enoyl)chromen-2-one
3-(4-methoxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)propanoic acid
(7s,8s,9r)-9-(2h-1,3-benzodioxol-5-yl)-9-hydroxy-7,8-dimethyl-2h,6h,7h,8h-naphtho[1,2-d][1,3]dioxol-6-yl acetate
{3,4,5-trihydroxy-6-[(8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-yl)oxy]oxan-2-yl}methyl acetate
15-chloro-8,13,14-trihydroxy-6-isopropyl-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2,6-diene-4,11-dione
2,13-dimethyl 11,22-diazapentacyclo[13.7.0.0⁴,¹².0⁵,¹⁰.0¹⁶,²¹]docosa-1,3,5,7,9,12,14,16,18,20-decaene-2,13-dicarboxylate
(3ar,4s,6ar,8s,9s,9as,9bs)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl (2s)-2-methyloxirane-2-carboxylate
3-({[(2s,3s,4r,5r,6s)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}methyl)-8-hydroxy-6-methoxyisochromen-1-one
(3ar,4s,6ar,8s,9r,9as,9bs)-8-hydroxy-3,6-dimethylidene-2-oxo-octahydrospiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl (2s)-3-chloro-2-hydroxy-2-methylpropanoate
[(2s,3r,4r)-2-(2h-1,3-benzodioxol-5-yl)-4-(2h-1,3-benzodioxol-5-ylmethyl)oxolan-3-yl]methyl acetate
13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,6-diazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-3,5,7,9(16),10(15),11,13-heptaen-2-one
C20H18N2O7 (398.11139579999997)
(2's,5's,6as,7s,8s,10as)-5'-(furan-3-yl)-8-methyl-3,9-dioxo-1,6a,8,10-tetrahydrospiro[naphtho[4,4a-c]furan-7,3'-oxolan]-2'-yl acetate
(1r,10s,12r,13r,16s,17r)-18-(acetyloxy)-13-carboxy-14-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6,8-tetraene-8,15-diium-8,15-bis(olate)
(1r)-5,7'-dihydroxy-10'-methoxy-2,3-dihydrospiro[indene-1,3'-phenanthro[2,1-b]furan]-2'-one
6-(4,5-dihydroxy-6-methyloxan-2-yl)-5-hydroxy-7-methoxy-2-phenylchromen-4-one
9-(chloromethyl)-7,8,9-trihydroxy-3,6-dimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl 2-methylprop-2-enoate
(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(3r)-5-oxooxolan-3-yl]oxy}oxan-3-yl 2-(4-hydroxyphenyl)acetate
(10r,15r)-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-12-one
(1r,10s,13r,14s,15s,16s,17s,18r)-18-(acetyloxy)-13-carboxy-14-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6,8-tetraene-8,15-diium-8,15-bis(olate)
8a-(bromomethyl)-4,5-dihydroxy-8-isopropyl-4,10a-dimethyl-4a,4b,5,6,7,8,9,10-octahydrophenanthren-3-one
C20H31BrO3 (398.14564359999997)