Exact Mass: 350.11878820000004
Exact Mass Matches: 350.11878820000004
Found 500 metabolites which its exact mass value is equals to given mass value 350.11878820000004,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Estrone 3-sulfate
Estrone sulfate is a sulfated estrone derivative. Estrone sulfate acts as a long-lived reservoir that can be converted as needed to the more active estradiol (from estrone via 17 beta-hydroxysteroid dehydrogenase). Estrone Sulfate (E1S) is the most abundant circulating estrogen in non-pregnant women as well as normal men. Estrone is primarily synthesized from estrone sulfate. Estrone is an estrogenic hormone secreted by the ovaries and adipose tissues. Estrone is one of the three estrogens found in humans. The other two are estriol and estradiol. Estrone is the least prevalent of the three. Estradiol plays a critical role on reproductive and sexual functioning in women and it also affects other organs including the bones. Estriol is an estrogen that is prevalent primarily during pregnancy. [HMDB] Estrone sulfate is a sulfated estrone derivative. Estrone sulfate acts as a long-lived reservoir that can be converted as needed to the more active estradiol (from estrone via 17 beta-hydroxysteroid dehydrogenase). Estrone Sulfate (E1S) is the most abundant circulating estrogen in non-pregnant women as well as normal men. Estrone is primarily synthesized from estrone sulfate. Estrone is an estrogenic hormone secreted by the ovaries and adipose tissues. Estrone is one of the three estrogens found in humans. The other two are estriol and estradiol. Estrone is the least prevalent of the three. Estradiol plays a critical role on reproductive and sexual functioning in women and it also affects other organs including the bones. Estriol is an estrogen that is prevalent primarily during pregnancy. C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Prodiamine
CONFIDENCE standard compound; INTERNAL_ID 498; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5592; ORIGINAL_PRECURSOR_SCAN_NO 5591 CONFIDENCE standard compound; INTERNAL_ID 498; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5630; ORIGINAL_PRECURSOR_SCAN_NO 5629 CONFIDENCE standard compound; INTERNAL_ID 498; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5608; ORIGINAL_PRECURSOR_SCAN_NO 5607 CONFIDENCE standard compound; INTERNAL_ID 498; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5607; ORIGINAL_PRECURSOR_SCAN_NO 5606 CONFIDENCE standard compound; INTERNAL_ID 498; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5619; ORIGINAL_PRECURSOR_SCAN_NO 5616 CONFIDENCE standard compound; INTERNAL_ID 498; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5615; ORIGINAL_PRECURSOR_SCAN_NO 5612
Penicillin V
Penicillin V is narrow spectrum antibiotic used to treat mild to moderate infections caused by susceptible bacteria. It is a natural penicillin antibiotic that is administered orally. Penicillin V may also be used in some cases as prophylaxis against susceptible organisms. Natural penicillins are considered the drugs of choice for several infections caused by susceptible gram positive aerobic organisms, such as Streptococcus pneumoniae, groups A, B, C and G streptococci, nonenterococcal group D streptococci, viridans group streptococci, and non-penicillinase producing staphylococcus. Aminoglycosides may be added for synergy against group B streptococcus (S. agalactiae), S. viridans, and Enterococcus faecalis. The natural penicillins may also be used as first or second line agents against susceptible gram positive aerobic bacilli such as Bacillus anthracis, Corynebacterium diphtheriae, and Erysipelothrix rhusiopathiae. Natural penicillins have limited activity against gram negative organisms; however, they may be used in some cases to treat infections caused by Neisseria meningitidis and Pasteurella. They are not generally used to treat anaerobic infections. Resistance patterns, susceptibility and treatment guidelines vary across regions. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CE - Beta-lactamase sensitive penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Biapenem
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DH - Carbapenems D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D013845 - Thienamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic Same as: D01057
16alpha-Bromo-17beta-estradiol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Penicillin X
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
6-[2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,2-dihydro-7-hydroxy-9-methoxy-cyclopenta[c][1]benzopyran-3,4-dione
6-[2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,2-dihydro-7-hydroxy-9-methoxy-cyclopenta[c][1]benzopyran-3,4-dione is also known as AFBDOH or Aflatoxin b1 trialcohol. 6-[2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,2-dihydro-7-hydroxy-9-methoxy-cyclopenta[c][1]benzopyran-3,4-dione is considered to be slightly soluble (in water) and acidic
Indole-3-acetohydroximoyl-cysteinylglycine
Safranin
C20H19ClN4 (350.12981640000004)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D004396 - Coloring Agents
BML 284
C19H18N4O3 (350.13788380000005)
Chloromarmin
C19H23ClO4 (350.12847880000004)
Chloromarmin is found in fruits. Chloromarmin is a constituent of Aegle marmelos (bael fruit). Constituent of Aegle marmelos (bael fruit). Chloromarmin is found in fruits.
Moschamindole
Isolated from safflower meal (Carthamus tinctorius). Moschamindole is found in safflower, fats and oils, and herbs and spices. Moschamindole is found in fats and oils. Moschamindole is isolated from safflower meal (Carthamus tinctorius).
Eremopetasin sulfoxide
Eremopetasin sulfoxide is found in green vegetables. Eremopetasin sulfoxide is a constituent of Petasites japonicus (sweet coltsfoot) Constituent of Petasites japonicus (sweet coltsfoot). Eremopetasin sulfoxide is found in green vegetables.
4'-O-Methylkanzonol W
4-O-Methylkanzonol W is found in herbs and spices. 4-O-Methylkanzonol W is a constituent of Glycyrrhiza glabra (licorice)
3-Feruloyl-1,5-quinolactone
3-Feruloyl-1,5-quinolactone is a polyphenol compound found in foods of plant origin (PMID: 20428313)
4-Feruloyl-1,5-quinolactone
4-Feruloyl-1,5-quinolactone is a polyphenol compound found in foods of plant origin (PMID: 20428313)
Na-p-Hydroxycoumaroyltryptophan
Na-p-Hydroxycoumaroyltryptophan is found in coffee and coffee products. Na-p-Hydroxycoumaroyltryptophan is a constituent of green coffee beans (Coffea canephora var. robusta) (Rubiaceae). Constituent of green coffee beans (Coffea canephora variety robusta) (Rubiaceae). Na-p-Hydroxycoumaroyltryptophan is found in coffee and coffee products.
8-Chloro-10-[3-(dimethylamino)propyl]phenothiazine-2,3-diol
Biapenem
N4-(1,3-Benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine
C19H18N4O3 (350.13788380000005)
Sulfuric acid [(13S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester
C18H22O5S (350.11878820000004)
Fenoxypen
Penicillin X
Benzylpenicilloyl
C17H22N2O4S (350.13002120000004)
N-(6-Aminopyridin-2-yl)-4'-cyanobiphenyl-4-sulfonamide
Sibopirdine
N-[4-Cloro-3-(T-butyloxome)phenyl-2-methyl-3-furan-carbothiamide
(E)-2-Methoxy-6,6-dimethylchromeno-[2,3:4,3]-9-methoxychalcone
leiocarpin
Arundinin
Arundinin is a natural product found in Pleione bulbocodioides, Pleione yunnanensis, and other organisms with data available.
Corydamine
Corydamine is a natural product found in Hypecoum erectum, Fumaria officinalis, and other organisms with data available.
Neorautenane
Semiglabrinol
Pseudosemiglabrinol
4-O-methylalpinumisoflavone
6-Hydroxy-3-methylthio-3-<4-(3-methyl-2-butenoxy)phenylmethyl>-2,5-piperazinedione|6-Hydroxy-3-methylthio-3-[4-(3-methyl-2-butenoxy)phenylmethyl]-2,5-piperazinedione|6-Hydroxy-3-[4-(3-methyl-2-butenylloxy)-phenylmethyl]-3-(methylthio)-2,5-piperazinedione
C17H22N2O4S (350.13002120000004)
(-)-Epiafzelechin-4-(2-hydroxyethyl)thio ether|(-)-epiafzerechin 4-(2-hydroxyethyl)thio ether
C17H18O6S (350.08240480000006)
3,4-dimethoxy-3,4-methylenedioxy-9-oxo-Delta7,8,7,8-6.7,8.8-neolignan
1,5,6-TRI-O-ACETYL-2,3,4-TRI-O-METHYLHEXITOL (1-D)
4-O-methylatalantoflavone|5-hydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-pyrano[2,3-f]chromen-4-one
6-(3,4-Dimethoxy-phenyl)-5-hydroxy-5,6-dihydro-3H-benzo[c][2,7]naphthyridin-4-on|6-(3,4-dimethoxy-phenyl)-5-hydroxy-5,6-dihydro-3H-benzo[c][2,7]naphthyridin-4-one|Perlolin|perloline
(2R,4S,5R,8S,10R)-2-{[(Z)-3-(methylsulfanyl)prop-2-enoyl]oxy}eremophil-7(11)-en-12,8-olide|(8S)-2-{[(Z)-3-(methylsulfanyl)prop-2-enoyl]oxy}eremophil-7(11)-en-12,8-olide
2H-pyran-[2,3:5,6]-1,6,7-trihydroxy-9-10-dihydrophenanthrene|paralycolin B
GLYCYRRHIZOL B
An organic heteropentacyclic compound that is 2H-pyrano[3,4,5,6]-pterocarpene substituted by a hydroxy group at position 7, a methoxy group at position 5 and geminal methyl groups at position 2. Isolated from the roots of Glycyrrhiza uralensis, it exhibits antibacterial activity.
Lespeflorin H2
A member of the class of coumestans that is 9,10-dihydro-6H-[1]benzofuro[3,2-c]chromene substituted by a methoxy group at position 3, a hydroxy group at position 8 and a 6,6-dimethyl-3,6-dihydro-2H-pyran ring fused across positions 9 and 10. Isolated from the roots of Lespedeza floribunda, it acts as a melanin synthesis inhibitor.
2-(4-Hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-1,3-propanediol
5,7-dihydroxy-2-(1-hydroxy-2,6-dimethoxy-4-oxocyclohexyl)chromen-4-one
3,4-Methylenedioxy-7-hydroxy-6-isopentenyl flavone
(9E,17E)-form-18-Bromo-9,17-octadecadiene-5,7,-diynoic acid
3-methoxy-1,4,9-trihydroxy-1,2,3,6b-tetrahydrobenzo[j]fluoranthen-8(7H)-one|hypoxylonol B
1S,2R,3R,4S-1-ethoxy-2-[(benzoyloxy)methyl]cyclohex-5-ene-2,3,4-triol 3-acetate
erythro-1-(3-hydroxy-5-methoxyphenyl)-2-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-propanediol|sapnol A
3,3-dihydroxy-2-(p-hydroxybenzyl)-5-methoxybibenzyl
3,3-dihydroxy-4-(p-hydroxybenzyl)-5-methoxybibenzyl
(2S)-5,7-dimethoxy-8-(3-methylbut-1,3-dienyl)flavanone|tephroleocarpin B 5-methyl ether
3,5-dihydroxy-2-(p-hydroxybenzyl)-3-methoxybibenzyl
2-hydroxy-6,6-dimethylpyrano-[2,3:4,3]-3,4-methylenedioxychalcone|2-hydroxy-6,6-dimethylpyrano[2,3:4,3]-3,4-methylenedioxychalcone|3,4-methylenedioxy-2-hydroxy-6,6-dimethylchromeno-[2,3:4,3]-chalcone|Glabrachromen-II|Glabrachromene II
(-)1,6 desoxypipoxide|(-)1,6-Desoxypipoxide|(2R)-trans-3-(benzoyloxy)-1-<(benzoyloxy)methyl>-2-hydroxycyclohexa-4,6-diene|1,6-desoxypipoxide|deoxypipoxide
2-O-beta-D-glucopyranosyl eucommiol|eucommioside|Eucommioside I|EucommiosideI
2,2,9-Trimethyl-5-methoxy-11-hydroxy-2H-anthra[1,2-b]pyran-7,12-dione
Coumarin VI
Coumarin 6 is a member of 7-aminocoumarins. It has a role as a fluorochrome. Coumarin 6 is a natural product found in Ferula fukanensis with data available.
Millepachine
Millepachine is a bioactive natural chalcone from Chinese herbal medicine Millettia pachycarpa Benth, exhibits strong antitumor effects against numerous human cancer cells both in vitro and in vivo[1].
Isoarundinin II
Isoarundinin II is a natural product found in Pleione bulbocodioides, Pleione yunnanensis, and other organisms with data available.
Ranitidine hydrochloride
C13H23ClN4O3S (350.11793180000006)
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents Ranitidine hydrochloride is a potent, selective and orally active histamine H2-receptor antagonist with an IC50 of 3.3 μM that inhibits gastric secretion. Ranitidine hydrochloride is a weak inhibitor of CYP2C19 and CYP2C9[1][2].
2-Methoxy-1-methyl-3-(1-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)-1H-benzo[f]indole-4,9-dione
methyl 2-(4a,6,10a-trihydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetate
7-(5,7-dimethoxy-4-oxochromen-2-yl)-6-hydroxyheptanoic acid
5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one
C19H23ClO4 (350.12847880000004)
Estrone-3-sulfate
C18H22O5S (350.11878820000004)
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8326
methyl 2-(4a,6,10a-trihydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetate
Felamidin
Origin: Plant, Coumarins
5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one [IIN-based: Match]
C19H23ClO4 (350.12847880000004)
5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one [IIN-based on: CCMSLIB00000846396]
C19H23ClO4 (350.12847880000004)
7-(5,7-dimethoxy-4-oxochromen-2-yl)-6-hydroxyheptanoic acid [IIN-based on: CCMSLIB00000845870]
7-(5,7-dimethoxy-4-oxochromen-2-yl)-6-hydroxyheptanoic acid [IIN-based: Match]
9,9-Bis(4-hydroxyphenyl)fluorene
CONFIDENCE standard compound; INTERNAL_ID 619; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5172; ORIGINAL_PRECURSOR_SCAN_NO 5167 CONFIDENCE standard compound; INTERNAL_ID 619; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5139; ORIGINAL_PRECURSOR_SCAN_NO 5136
methyl 2-(4a,6,10a-trihydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetate_major
2-(4-(tert-Butyl)phenoxy)cyclohexyl prop-2-yn-1-yl sulfite
Ala Ala Cys Ser
Ala Ala Ser Cys
Ala Cys Ala Ser
Ala Cys Gly Thr
Ala Cys Ser Ala
Ala Cys Thr Gly
Ala Gly Cys Thr
Ala Gly Thr Cys
Ala Ser Ala Cys
Ala Ser Cys Ala
Ala Ser Ser Ser
Ala Thr Cys Gly
Ala Thr Gly Cys
Cys Ala Ala Ser
Cys Ala Gly Thr
Cys Ala Ser Ala
Cys Ala Thr Gly
Cys Asp Gly Gly
C11H18N4O7S (350.08961580000005)
Cys Gly Ala Thr
Cys Gly Asp Gly
C11H18N4O7S (350.08961580000005)
Cys Gly Gly Asp
C11H18N4O7S (350.08961580000005)
Cys Gly Thr Ala
Cys Ser Ala Ala
Cys Thr Ala Gly
Cys Thr Gly Ala
Asp Cys Gly Gly
C11H18N4O7S (350.08961580000005)
Asp Gly Cys Gly
C11H18N4O7S (350.08961580000005)
Asp Gly Gly Cys
C11H18N4O7S (350.08961580000005)
Gly Ala Cys Thr
Gly Ala Thr Cys
Gly Cys Ala Thr
Gly Cys Asp Gly
C11H18N4O7S (350.08961580000005)
Gly Cys Gly Asp
C11H18N4O7S (350.08961580000005)
Gly Cys Thr Ala
Gly Asp Cys Gly
C11H18N4O7S (350.08961580000005)
Gly Asp Gly Cys
C11H18N4O7S (350.08961580000005)
Gly Gly Cys Asp
C11H18N4O7S (350.08961580000005)
Gly Gly Asp Cys
C11H18N4O7S (350.08961580000005)
Gly Gly Met Ser
Gly Gly Ser Met
Gly Met Gly Ser
Gly Met Ser Gly
Gly Ser Gly Met
Gly Ser Met Gly
Gly Ser Ser Thr
Gly Ser Thr Ser
Gly Thr Ala Cys
Gly Thr Cys Ala
Gly Thr Ser Ser
Met Gly Gly Ser
Met Gly Ser Gly
Met Ser Gly Gly
Ser Ala Ala Cys
Ser Ala Cys Ala
Ser Ala Ser Ser
Ser Cys Ala Ala
Ser Gly Gly Met
Ser Gly Met Gly
Ser Gly Ser Thr
Ser Gly Thr Ser
Ser Met Gly Gly
Ser Ser Ala Ser
Ser Ser Gly Thr
Ser Ser Ser Ala
Ser Ser Thr Gly
Ser Thr Gly Ser
Ser Thr Ser Gly
Thr Ala Cys Gly
Thr Ala Gly Cys
Thr Cys Ala Gly
Thr Cys Gly Ala
Thr Gly Ala Cys
Thr Gly Cys Ala
Thr Gly Ser Ser
Thr Ser Gly Ser
Thr Ser Ser Gly
3-Feruloylquinic acid lactone
4-Feruloylquinic acid lactone
Eremopetasin sulfoxide
4'-O-Methylkanzonol W
Moschamindole
Na-p-Hydroxycoumaroyltryptophan
Chloromarmin
C19H23ClO4 (350.12847880000004)
Methyl (4a,6,10a-trihydroxy-1-methyl-5,10-dioxo-3,4,4a,5,10,10a-hexahydro-1H-benzo[g]isochromen-3-yl)acetate
estrone sulfate
C18H22O5S (350.11878820000004)
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
1,3,4,6-TETRA-O-ACETYL-2-DEOXY-2-FLUORO-ALPHA-D-GALACTOPYRANOSE
C14H19FO9 (350.10130560000005)
4-chloro-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline
3,6-dimethyl-1-N,4-N-diphenyl-1,2,4,5-tetrazine-1,4-dicarboxamide
1,2,3,4-TETRA-O-ACETYL-6-DEOXY-6-FLUORO-ALPHA-D-GLUCOPYRANOSE
C14H19FO9 (350.10130560000005)
(R,R)-(+)-BIS(ALPHA-METHYLBENZYL)AMINEHYDROCHLORIDE
1,2,4,6-TETRA-O-ACETYL-3-DEOXY-3-FLUORO-ALPHA-D-GLUCOPYRANOSE
C14H19FO9 (350.10130560000005)
4-(2-CYANO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C17H22N2O4S (350.13002120000004)
4-(3-CYANO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C17H22N2O4S (350.13002120000004)
3-(4-CYANO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C17H22N2O4S (350.13002120000004)
1,3,4-Thiadiazole-2(3H)-thione, 5-(tert-dodecyldithio)-
bis-(Acetylactonate) ethoxide isopropoxide titanium
5-DIMETHYLAMINONAPHTHALENE-1-SULFONYL-L-VALINE
C17H22N2O4S (350.13002120000004)
4,4,5,5-TETRAMETHYL-2-(2-METHYL-5-((TRIFLUOROMETHYL)SULFONYL)PHENYL)-1,3,2-DIOXABOROLANE
C14H18BF3O4S (350.0970894000001)
(1S,3S)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester
3-(2-CYANO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C17H22N2O4S (350.13002120000004)
3-(3-CYANO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C17H22N2O4S (350.13002120000004)
TERT-BUTYL [2-PHTHALIMIDO-1-(METHYLSULFANYLMETHYL)ETHYL]CARBAMATE
C17H22N2O4S (350.13002120000004)
4-DIMETHYLAMINO-7-(4-ETHYL-PHENYL)-7H-9-THIA-1,5,7-TRIAZA-FLUOREN-8-ONE
C19H18N4OS (350.12012580000004)
(1R,3S)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester
ETHYL 4-(4-METHOXYPHENYL)-2-OXO-6-PHENYL-3-CYCLOHEXENE-1-CARBOXYLATE
1,2,3,4-TETRA-O-ACETYL-6-DEOXY-6-FLUORO-ALPHA-D-GALACTOPYRANOSE
C14H19FO9 (350.10130560000005)
(E)-6-Nitro-3-(2-(pyridin-2-yl)vinyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
C19H18N4O3 (350.13788380000005)
2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine
C17H15FN8 (350.14036419999996)
N-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine,hydrochloride
C17H14D5ClF3NO (350.14210489000004)
(3,4,5-triacetyloxy-6-fluorooxan-2-yl)methyl acetate
C14H19FO9 (350.10130560000005)
Clomipramine HCl
C19H24Cl2N2 (350.13164439999997)
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D049990 - Membrane Transport Modulators
ethoxybis(pentane-2,4-dionato-O,O)(propan-2-olato)titanium
2,3,4,6-Tetra-O-Acetylhexopyranosyl Fluoride
C14H19FO9 (350.10130560000005)
BETA-D-GLUCOPYRANOSYL FLUORIDE TETRA-
C14H19FO9 (350.10130560000005)
4-(6-ACETYL-1,3,7-TRIMETHYL-2,4-DIOXO-1,2,3,4,5,8-HEXAHYDROPYRIDO[2,3-D]PYRIMIDIN-5-YL)BENZONITRILE
C19H18N4O3 (350.13788380000005)
(1R,2S,3R)-(+)-3-[N-(BENZENESULFONYL)-N-(3,5-DIMETHYL-PHENYL)AMINO]-2-BORNANOL
1,4-Bis(1-benzothiophen-4-yl)piperazine
C20H18N2S2 (350.09113479999996)
N-Acetyl-9-(acetylaMino)-9-deoxyneuraMinic Acid
C13H22N2O9 (350.13252420000003)
(diisopropoxyphosphoryl)methyl 4-methylbenzenesulfonate
C14H23O6PS (350.09529080000004)
2,3,4,6-tetra-o-acetyl-alpha-d-glucopyranosyl fluoride
C14H19FO9 (350.10130560000005)
[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-fluorooxan-2-yl]methyl acetate
C14H19FO9 (350.10130560000005)
4-(4-CYANO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C17H22N2O4S (350.13002120000004)
4-METHOXY-N-(4-METHOXYPHENYL)-N-(4-NITROPHENYL)ANILINE
(3aR,4R,5R,6aS)-4-Formyl-2-oxohexahydro-2H-cyclopenta[b]furan-5-y l 4-biphenylcarboxylate
dimethyl 2,6-dimethyl-4-(2,3,4,5-tetradeuterio-6-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Triphenylsulfonium tetrafluoroborate
C18H15BF4S (350.09235880000006)
N-(2,4-dimethylphenyl)-2,2,2-trifluoro-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide
C18H17F3N2O2 (350.12420579999997)
N-[4-Cloro-3-(T-butyloxome)phenyl-2-methyl-3-furan-carbothiamide
Raxatrigine hydrochloride
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
N-(6-Aminopyridin-2-yl)-4-cyanobiphenyl-4-sulfonamide
2-(4-nitrophenyl)-N-(2-oxolanylmethyl)-4-quinazolinamine
C19H18N4O3 (350.13788380000005)
N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
C19H18N4O3 (350.13788380000005)
N,N-dimethylsulfamic acid [3-[(4-methoxyanilino)-oxomethyl]phenyl] ester
N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
4-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-3-quinolinecarboxylic acid ethyl ester
N-[5-(1-naphthylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
4-Methyl-5-{[(3-methylbenzoyl)oxy]ethanimidoyl}-2-phenyl-1,3-thiazole
Tert-butyl 2-(5-chloro-2,2-dioxospiro[indole-3,3-pyrrolidine]-1-yl)acetate
2-(2-Hydroxyphenyl)-4-phenyl-5,6-dihydrobenzo[h]quinazoline
C24H18N2O (350.14190579999996)
Bis(trimethylsilyl) 2-[(trimethylsilyl)oxy]succinate
2-[(4-Ethynyl-2-Fluorophenyl)amino]-3,4-Difluoro-N-(2-Hydroxyethoxy)benzamide
C17H13F3N2O3 (350.08782240000005)
4-(2,4-Dimethyl-1,3-thiazol-5-YL)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
C16H13F3N4S (350.08129740000004)
N~2~-(Biphenyl-4-Ylsulfonyl)-N-Hydroxy-N~2~-(2-Hydroxyethyl)glycinamide
Rel-(3AR,4S,7R,7AS)-3A,4,7,7A-tetrahydro-2-(4-nitro-1-naphthalenyl)-4,7-ethano-1H-isoindole-1,3(2H)-dione
N-Pyridoxyl-threonine-5-monophosphate
C12H19N2O8P (350.08789840000003)
2-O-Methyl-3-Methyl-3-Deoxy-Arabinofuranosyl-Thymine-5-Phosphate
C12H19N2O8P (350.08789840000003)
Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-13-methyl-
C21H20NO4+ (350.13922600000006)
6-[[2-(4-Hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
{[(2R)-2-azaniumyl-3-{[(1E)-N-hydroxy-2-(1H-indol-3-yl)ethanimidoyl]sulfanyl}propanoyl]amino}acetate
(2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate
(2S,5R)-5-acetamido-6-[(1S)-3-acetyloxy-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylate
2-Oxo-3-(phosphooxy)propyl 8-methyl-3-oxodecanoate
5,5-Dimethyl-2-[2-oxo-1-[(2-phenylacetyl)amino]propyl]-1,3-thiazolidine-4-carboxylic acid
C17H22N2O4S (350.13002120000004)
[3-Carboxy-2-[5-(dithiolan-3-yl)pentanoyloxy]propyl]-trimethylazanium
Alquen
C13H23ClN4O3S (350.11793180000006)
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
benzoic acid 2-[(2S)-7-oxo-2,3-dihydrofuro[3,2-g][1]benzopyran-2-yl]propan-2-yl ester
Brasiliquinone C
A carbopolycyclic compound that is 3,4-dihydrotetraphene-1,7,12(2H)-trione substituted by hydroxy groups at positions 6 and 8 and an ethyl group at position 3 (the S stereoisomer). It is isolated from the culture broth of Nocardia brasiliensis and exhibits antibacterial activity against Gram-positive bacteria. It is also active against the multiple drug-resistant P388/ADR tumour cells.
Ehretianone
An organic heterotetracyclic compound that is 9,9a-dihydro-9,4a-prop[1]enoxanthene-1,4-dione substituted by a hydroxy group at position 7, a methyl group at position 12 and a prenyl group at position 9a. Isolated from the root barks of Ehretia buxifolia, it exhibits antisnake venom activity.
Sulfuric acid [(13S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester
C18H22O5S (350.11878820000004)
2-fluoro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
C20H12F2N2O2 (350.08667959999997)
N-{amino[(6-methoxy-4-methyl-2-quinazolinyl)amino]methylene}-N-phenylurea
1-(4-Fluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
C17H19FN2O3S (350.11003560000006)
6-Amino-3-(3-methoxyphenyl)-4-(3-thiophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
3-((E)-3-Benzo[1,3]dioxol-5-yl-acryloylamino)-1H-indole-2-carboxylic acid
3-Chloro-1-(2,5-dimethoxyphenyl)-4-(1-piperidinyl)pyrrole-2,5-dione
3-(1H-indol-3-yl)-N-[(1E)-1-(3-nitrophenyl)ethylidene]propanohydrazide
C19H18N4O3 (350.13788380000005)
6-(3,5-dimethyl-4-isoxazolyl)-N-[(3-methyl-2-thiophenyl)methyl]-4-quinazolinamine
C19H18N4OS (350.12012580000004)
[1-(2-Phenoxyethyl)-3-indolyl]-(1-pyrrolidinyl)methanethione
1-(4-Fluorophenyl)-3-(2-methoxy-3-dibenzofuranyl)urea
C20H15FN2O3 (350.10666519999995)
5-Benzyl-2,2-dimethyl-5-(4-vinylbenzyl)-1,3-dioxane-4,6-dione
N-[4-[[2-furanyl(oxo)methyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
2-[[oxo-(2-oxo-1H-quinolin-4-yl)methyl]amino]-3-phenylpropanoic acid methyl ester
7-Amino-9-(phenacylthio)-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile
C19H18N4OS (350.12012580000004)
3-(2,3-dimethyl-1H-indol-5-yl)-4-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione
C19H18N4OS (350.12012580000004)
3-[5-(4-Fluorophenyl)-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1-propanol
methyl 2-{5-[(1-isopropyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate
C17H22N2O4S (350.13002120000004)
N-(4-chlorophenyl)-5-methyl-3-(phenylmethyl)-7-triazolo[4,5-d]pyrimidinamine
N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-3-pyridinecarboxamide
methyl N-[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]carbamate
(5E)-6-hydroxy-3-phenyl-5-[1-(2-phenylhydrazinyl)propylidene]pyrimidine-2,4(3H,5H)-dione
C19H18N4O3 (350.13788380000005)
(5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
11beta,13-Dihydrolactucin 15-oxalate
A sesquiterpene lactone obtained by formal condensation of one of the carboxy groups of oxalic acid with the 15-hydroxy group of 11beta,13-dihydrolactucin. Found in chicory.
1-[1-[(4-Chlorophenyl)methyl]-4-pyrazolyl]-3-(2-oxolanylmethyl)thiourea
Nonanedioic acid monoglycoside
A dicarboxylic acid monoester resulting from the formal condensation of the carboxy group of nonanedioic acid with the hydroxy group of hexopyranose.
4-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
2-cyclopropyl-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]acetamide
C15H21F3N2O4 (350.14533420000004)
2-cyclopropyl-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]acetamide
C15H21F3N2O4 (350.14533420000004)
2-cyclopropyl-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]acetamide
C15H21F3N2O4 (350.14533420000004)
2-cyclopropyl-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]acetamide
C15H21F3N2O4 (350.14533420000004)
2-cyclopropyl-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]acetamide
C15H21F3N2O4 (350.14533420000004)
2-cyclopropyl-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]acetamide
C15H21F3N2O4 (350.14533420000004)
7-(5,7-Dimethoxy-4-oxochromen-2-yl)-6-hydroxyheptanoic acid
2-(1,3-benzodioxol-5-ylamino)-N-[(E)-(2-methyl-1H-indol-3-yl)methylidene]acetohydrazide (non-preferred name)
C19H18N4O3 (350.13788380000005)
9-deoxy-9-acetamido-N-acetyl-alpha-neuraminic acid
C13H22N2O9 (350.13252420000003)
5-[(4-Amino-5-methoxy-2-methylphenyl)diazenyl]-2-methoxybenzene-1-sulfonate
(1R,2S,4aR,4bR,7R,9aR,10S,10aR)-2-chloro-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
C19H23ClO4 (350.12847880000004)
sulfuric acid [(8R,9R,13S,14R)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester
C18H22O5S (350.11878820000004)
N-[4-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide
C19H18N4OS (350.12012580000004)
3,4,5-Trihydroxy-6-(3,4,5-trihydroxycyclohexene-1-carbonyl)oxyoxane-2-carboxylic acid
3,4-dihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxycyclohexene-1-carboxylic acid
(5S,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
3,8,9-trimethoxy-5-methyl-5H-benzo[c]phenanthridin-5-ium-2-one
C21H20NO4+ (350.13922600000006)
D000970 - Antineoplastic Agents
2-methoxy-1-methyl-3-(1-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)-1H-benzo[f]indole-4,9-dione
(2,6-Diacetyloxy-6-deuterio-3,4,5-trimethoxyhexyl) acetate
5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one
C19H23ClO4 (350.12847880000004)
4,5-Diphenyl-6-styryl-1,2-dihydropyrimidin-2-one
C24H18N2O (350.14190579999996)
2-Methyl-4-oxo-8-[1-imidazolyl(thiocarbonyl)oxy]decahydronaphthalene-1-carboxylic acid methyl ester
C17H22N2O4S (350.13002120000004)
(2,5-Diacetyloxy-1-deuterio-3,4,6-trimethoxyhexyl) acetate
Penicillin V
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CE - Beta-lactamase sensitive penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
6-[2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,2-dihydro-7-hydroxy-9-methoxy-cyclopenta[c][1]benzopyran-3,4-dione
3,3-Dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
8-Chloro-10-[3-(dimethylamino)propyl]phenothiazine-2,3-diol
estrone 3-sulfate
C18H22O5S (350.11878820000004)
A steroid sulfate that is the 3-sulfate of estrone.
Phenoxymethylpenicillin
A penicillin compound having a 6beta-(phenoxyacetyl)amino side-chain.
aflatoxin B1 triol
An organic heterotricyclic compound obtained by oxidative cleavage of the furofuran ring system of aflatoxin B1.
5-LOX-IN-1
5-LOX-IN-1 (compound 2b) is an inhibitor of human 5-Lipoxygenase (5-LOX) with an IC50 value of 2.3 μM. 5-LOX-IN-1 can be used for the research of inflammation[1].
DMCM (hydrochloride)
DMCM hydrochloride is a nonselective full inverse agonist of benzodiazepine. DMCM shows bnding afinity at human recombinant GABAA αxβ3γ2 receptor subtypes with Kis of 10 nM, 13 nM, 7.5 nM, 2.2 nM for α1, α2, α3, and α5 ?receptors, respectively[1].
DREADD agonist 21 (dihydrochloride)
DREADD agonist 21 dihydrochloride is a potent human muscarinic acetylcholine M3 receptors (hM3Dq) agonist (EC50=1.7 nM)[1].
(1r,8r,9s,11s,12r)-3,6-dihydroxy-16-methyl-11-(prop-1-en-2-yl)pentacyclo[6.6.3.1⁹,¹².0¹,⁹.0²,⁷]octadeca-2,4,6,16-tetraene-14,18-dione
6-[2-(2-isopropyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-methoxy-3-methylhex-5-en-2-one
3-[2-(3-hydroxyphenyl)ethyl]-4-[(4-hydroxyphenyl)methyl]-5-methoxyphenol
7-[(7-chloro-6-hydroxy-3,7-dimethyloct-2-en-1-yl)oxy]chromen-2-one
C19H23ClO4 (350.12847880000004)