Exact Mass: 350.0696
Exact Mass Matches: 350.0696
Found 499 metabolites which its exact mass value is equals to given mass value 350.0696
,
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
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
Clitidine 5-phosphate
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
6-Hydroxy-2-naphthyl disulfide
CONFIDENCE standard compound; INTERNAL_ID 370; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5492; ORIGINAL_PRECURSOR_SCAN_NO 5490 CONFIDENCE standard compound; INTERNAL_ID 370; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5491; ORIGINAL_PRECURSOR_SCAN_NO 5489 CONFIDENCE standard compound; INTERNAL_ID 370; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5523; ORIGINAL_PRECURSOR_SCAN_NO 5520 CONFIDENCE standard compound; INTERNAL_ID 370; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5518; ORIGINAL_PRECURSOR_SCAN_NO 5516 CONFIDENCE standard compound; INTERNAL_ID 370; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5592; ORIGINAL_PRECURSOR_SCAN_NO 5590 CONFIDENCE standard compound; INTERNAL_ID 370; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5517; ORIGINAL_PRECURSOR_SCAN_NO 5514
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)
8-Chloro-10-[3-(dimethylamino)propyl]phenothiazine-2,3-diol
Biapenem
Sulfuric acid [(13S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester
Fenoxypen
Loviride
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
3-(3,4-Difluorophenyl)-4-(4-(methylsulfonyl)phenyl)-2(5H)-furanone
Penicillin X
N-(6-Aminopyridin-2-yl)-4'-cyanobiphenyl-4-sulfonamide
4-(2,6-Dioxo-1-propyl-3,7-dihydropurin-8-yl)benzenesulfonic acid
N-[4-Cloro-3-(T-butyloxome)phenyl-2-methyl-3-furan-carbothiamide
leiocarpin
Neorautenane
Oviedomycin
A member of the class of tetraphenes that is 1,4,7,12-tetrahydrotetraphene substituted by oxo groups at positions 1, 4, 7, and 12, by hydroxy groups at positions 2, 6 and 8, and by a methyl group at position 3. It is a natural product found in Streptomyces antibioticus ATCC 11891 which exhibits cytotoxicity against A549 human lung cancer cells, HepG2 liver cancer cells, and MCF-7 breast cancer cells.
Semiglabrinol
Pseudosemiglabrinol
4-O-methylalpinumisoflavone
5-methoxy-3-methyl-3,4-methylenedioxyfurano(2,3:7,8)flavone
(-)-Epiafzelechin-4-(2-hydroxyethyl)thio ether|(-)-epiafzerechin 4-(2-hydroxyethyl)thio ether
3,4-dimethoxy-3,4-methylenedioxy-9-oxo-Delta7,8,7,8-6.7,8.8-neolignan
4-O-methylatalantoflavone|5-hydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-pyrano[2,3-f]chromen-4-one
2-bromo-3-chlorobisabola-7(14),11-diene-6,10-diol|rel-(alpha,1R,3S,4S)-3-bromo-4-chloro-1-hydroxy-4-methyl-delta-methylene-alpha-(1-methylethenyl)cyclohexanebutanol
benzyl beta-D-glucopyranoside-4-O-sulfate|sulfatricalysine E
10-(1,3-Benzodioxole-5-yl)-6,10-dihydrofuro[3,4:6,7]naphtho[1,2-d]-1,3-dioxole-9(7H)-one
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.
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
4,10-dibromo-4-chloro-3,11,11-trimethyl-7-methylidenespiro[5.5]undec-3,9-diol|dendroidiol
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
rel-(1R,3S,4S)-4-bromo-3-chloro-1-(5-hydroxy-6-methylhepta-1,6-dien-2-yl)-4-methylcyclohexanol|rel-(2S,3S,6R)-3-bromo-2-chloro-2,3-dihydro-6,10-dihydroxy-beta-bisabolene
(-)1,6 desoxypipoxide|(-)1,6-Desoxypipoxide|(2R)-trans-3-(benzoyloxy)-1-<(benzoyloxy)methyl>-2-hydroxycyclohexa-4,6-diene|1,6-desoxypipoxide|deoxypipoxide
5-(1,3-Benzodioxole-5-yl)-5,9-dihydrofuro[3,4:6,7]naphtho[2,3-d]-1,3-dioxole-6(8H)-one
5-(3-Methoxy-4-hydroxyphenyl)furo[3,4:6,7]naphtho[2,3-d][1,3]dioxole-6(8H)-one
8-Ethyl-1,6,10,11-tetrahydroxy-5,12-naphthacenedione
2,2,9-Trimethyl-5-methoxy-11-hydroxy-2H-anthra[1,2-b]pyran-7,12-dione
ethyl 2,4-dihydroxy-3-((3,4,5-trihydroxybenzoyl)oxy)-benzoate
palmarumycin C12|palmarumycins C12|[18-O2]palmarumycin C12
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.
Ranitidine hydrochloride
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
3,4-Dihydroxy-2-hydroxymethyl-3,4,4a,12a-tetrahydro-2H-1,5-dioxa-12-thia-naphthacene-6,11-dione
methyl 2-(4a,6,10a-trihydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetate
C17H15ClO6_7-Chloro-2,4,6-trimethoxy-6-methyl-3H,4H-spiro[1-benzofuran-2,1-cyclohexa[2,5]diene]-3,4-dione
methyl 2-(4a,6,10a-trihydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetate
methyl 2-(4a,6,10a-trihydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetate_major
Cys Asp Gly Gly
Cys Gly Asp Gly
Cys Gly Gly Asp
Asp Cys Gly Gly
Asp Gly Cys Gly
Asp Gly Gly Cys
Gly Cys Asp Gly
Gly Cys Gly Asp
Gly Asp Cys Gly
Gly Asp Gly Cys
Gly Gly Cys Asp
Gly Gly Asp Cys
Idebenone Metabolite (Benzenebutanoic acid, 2-hydroxy-3,4-dimethoxy-6-methyl-5-(sulfooxy)-)
3-Feruloylquinic acid lactone
4-Feruloylquinic acid lactone
4'-O-Methylkanzonol W
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
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
Sulofenur
C274 - Antineoplastic Agent > C2186 - Diarylsulfonylurea Compound D000970 - Antineoplastic Agents
1,3,4,6-TETRA-O-ACETYL-2-DEOXY-2-FLUORO-ALPHA-D-GALACTOPYRANOSE
3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid
4-HYDROXY-3,5-BIS(TRIFLUOROMETHYL)-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
[3-[(2-hydroxybenzylidene)amino][1,1-biphenyl]-4-olato(2-)-N,O,O]copper
1,2,3,4-TETRA-O-ACETYL-6-DEOXY-6-FLUORO-ALPHA-D-GLUCOPYRANOSE
4-(3,3-BIS(2-METHOXYETHYL)UREIDO)BENZENE-1-SULFONYL CHLORIDE
1-[diazo-(2-methylphenyl)sulfonylmethyl]sulfonyl-2-methylbenzene
1,2,4,6-TETRA-O-ACETYL-3-DEOXY-3-FLUORO-ALPHA-D-GLUCOPYRANOSE
1-bromo-4-[3-[(2-methoxyphenyl)methoxy]propoxy]benzene
1,3,4-Thiadiazole-2(3H)-thione, 5-(tert-dodecyldithio)-
4,4,5,5-TETRAMETHYL-2-(2-METHYL-5-((TRIFLUOROMETHYL)SULFONYL)PHENYL)-1,3,2-DIOXABOROLANE
Disiloxane, 1,3-bis(3-chloropropyl)-1,1,3,3-tetramethoxy-
2-[3-bromo-5-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4-CHLORODINAPHTHO[2,1-D:1,2-F][1,3,2]DIOXAPHOSPHEPINE
1,2,3,4-TETRA-O-ACETYL-6-DEOXY-6-FLUORO-ALPHA-D-GALACTOPYRANOSE
[2-(Trifluoromethoxy)phenyl][4-(trifluoromethoxy)phenyl]methanone
(3,4,5-triacetyloxy-6-fluorooxan-2-yl)methyl acetate
2-(1-AMINOETHYL)-N-(5-CHLORO-4-(TRIFLUOROMETHYL)PYRIDIN-2-YL)THIAZOLE-5-CARBOXAMIDE
METHYL 5-CYANO-2-(DIMETHOXYMETHYL)-6-(2,2,2-TRIFLUOROETHYLTHIO)NICOTINATE
1,2-Benzenediamine, 4-(4-methyl-1-piperazinyl)-, tetrahydrochloride
(diisopropoxyphosphoryl)methyl 4-methylbenzenesulfonate
2,3,4,6-tetra-o-acetyl-alpha-d-glucopyranosyl fluoride
[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-fluorooxan-2-yl]methyl acetate
(3-chloropropyl)diphenylsulfonium tetrafluoroborate
(3-BROMO-2-((3-METHOXYBENZYL)OXY)-5-METHYLPHENYL)BORONIC ACID
(3aR,4R,5R,6aS)-4-Formyl-2-oxohexahydro-2H-cyclopenta[b]furan-5-y l 4-biphenylcarboxylate
N-[4-Cloro-3-(T-butyloxome)phenyl-2-methyl-3-furan-carbothiamide
alpha-(2,6-Dichlorophenyl)-alpha-(2-acetyl-5-methylanilino)acetamide
N-(6-Aminopyridin-2-yl)-4-cyanobiphenyl-4-sulfonamide
3-(3,4-Difluorophenyl)-4-(4-(methylsulfonyl)phenyl)-2(5H)-furanone
4-(2,6-Dioxo-1-propyl-3,7-dihydropurin-8-yl)benzenesulfonic acid
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists PSB-1115 is a selective A2B Adenosine Receptor antagonist. PSB-1115 inhibits the 2,4,6-trinitrobenzenesulfonic acid (TNBS)-induced contraction inhibition of acetylcholine (ACh)[1].
N,N-dimethylsulfamic acid [3-[(4-methoxyanilino)-oxomethyl]phenyl] ester
1,4-Diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene
5-Methyl-2-[[(4-nitrophenyl)-oxomethyl]hydrazo]-4-thiazolecarboxylic acid ethyl ester
N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
2-(2-((E)-2-((E)-(2-hydroxybenzylidene)hydrazono)-4-oxothiazolidin-5-yl)acetamido)acetic acid
4-Methyl-5-{[(3-methylbenzoyl)oxy]ethanimidoyl}-2-phenyl-1,3-thiazole
8-methyl-6-(3-methyl-2-thiophenyl)-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylic acid ethyl ester
Tert-butyl 2-(5-chloro-2,2-dioxospiro[indole-3,3-pyrrolidine]-1-yl)acetate
2-[(4-Ethynyl-2-Fluorophenyl)amino]-3,4-Difluoro-N-(2-Hydroxyethoxy)benzamide
4-(2,4-Dimethyl-1,3-thiazol-5-YL)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
N~2~-(Biphenyl-4-Ylsulfonyl)-N-Hydroxy-N~2~-(2-Hydroxyethyl)glycinamide
2-O-Methyl-3-Methyl-3-Deoxy-Arabinofuranosyl-Thymine-5-Phosphate
Loviride
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
acid orange 12
Sodium 6-hydroxy-5-(phenylazo)-2-naphthalenesulfoniate is a food pigment.
N-[1-(2,4-dichlorobenzyl)-1H-pyrazol-4-yl]-5-methylisoxazole-3-carboxamide
6-[[2-(4-Hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
4-(4-deoxy-alpha-D-gluc-4-enosyluronic acid)-D-galacturonate(2-)
{[(2R)-2-azaniumyl-3-{[(1E)-N-hydroxy-2-(1H-indol-3-yl)ethanimidoyl]sulfanyl}propanoyl]amino}acetate
2-Carbamoyl-3,10,11,12-tetrahydroxytetracen-1-olate
4-deoxy-alpha-L-erythro-hex-4-enopyranuronate-alpha-L-guluronate
4-deoxy-alpha-L-erythro-hex-4-enopyranuronate-beta-D-mannuronate
(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
a 4-deoxy-alpha-L-erythro-hex-4-enopyranuronate-uronate disccharide
Alquen
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.
Sulfuric acid [(13S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester
2-fluoro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
1-(4-Fluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
N-(4-chloro-3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
{2-[(E)-3-(2-Chloro-phenyl)-acryloylamino]-thiazol-4-yl}-acetic acid ethyl ester
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
4-chloro-N-[3-chloro-4-(4-morpholinyl)phenyl]benzamide
N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiophen-2-ylacetamide
5-nitro-N-[4-(2-oxazolo[4,5-b]pyridinyl)phenyl]-2-furancarboxamide
1-(3,5-dichlorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
1-(4-Fluorophenyl)-3-(2-methoxy-3-dibenzofuranyl)urea
1-[2-[(4-Chlorophenyl)thio]ethyl]-3-(2,4-dimethylphenyl)thiourea
N-[4-[[2-furanyl(oxo)methyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
3-(1,3-benzodioxol-5-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acrylamide
4-[[4-Bromo-5-(4-morpholinyl)-2-furanyl]methylideneamino]phenol
N-[2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethyl]methanesulfonamide
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
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-4-nitro-3-isoxazolecarboxamide
2-(4-chlorophenyl)-5-methyl-4-oxo-2,3-dihydro-1H-thieno[3,4-d]pyrimidine-7-carboxylic acid ethyl ester
methyl N-[(E)-(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]carbamate
(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
4-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
(Z,2Z)-4-amino-2-[amino(phenylsulfanyl)methylidene]-3-isocyano-4-phenylsulfanylbut-3-enenitrile
4-(4-deoxy-beta-D-gluc-4-enosyluronate)-D-galacturonate(2-)
5-[(4-Amino-5-methoxy-2-methylphenyl)diazenyl]-2-methoxybenzene-1-sulfonate
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
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
1-(3-chlorophenyl)-3-[(Z)-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylideneamino]thiourea
(5S,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
2-methoxy-1-methyl-3-(1-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)-1H-benzo[f]indole-4,9-dione
(2R,3S,4S,4aR,12aS)-3,4-dihydroxy-2-(hydroxymethyl)-3,4,4a,12a-tetrahydro-2H-naphtho[2,3-b]pyrano[2,3-e][1,4]oxathiine-6,11-dione
7,10-Dihydroxyspiro[11-oxatricyclo[4.4.1.01,6]undeca-3,8-diene-5,3-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-2-one
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
Arbutin 6-phosphate(2-)
An organophosphate oxoanion obtained by removing two protons from the phosphate group of arbutin 6-phosphate.
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
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].
6-[2-(2-isopropyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-methoxy-3-methylhex-5-en-2-one
3,11,15,18-tetrahydroxy-17-methyl-8-oxapentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1(19),2,4,6,9,11,14,16(20)-octaen-13-one
5,14-dihydroxy-15-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2,4,6,11,13,15-heptaene-4-carbaldehyde
(7r)-8-oxo-3-(prop-2-en-1-yl)-7-(thiophene-2-amido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(9e,17e)-18-bromooctadeca-9,17-dien-5,7-diynoic acid
1,1'-dioxo-2h,2'h,3h,3'h-[4,4'-biindene]-7,7'-dicarboxylic acid
(3r)-3,4-dimethoxy-6'-methyl-3h-3'-oxaspiro[2-benzofuran-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(12'),4',6',8',10'-pentaen-11'-ol
(17r,18s)-3,11,15,18-tetrahydroxy-17-methyl-8-oxapentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1(19),2,4,6,9,11,14,16(20)-octaen-13-one
10-(2h-1,3-benzodioxol-5-yl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8,10-tetraen-12-one
2-(3-bromo-4-chloro-4-methylcyclohexyl)-2,6,6-trimethyl-3h-pyran-3-ol
1,4,9,12a-tetrahydroxy-2,12b-dihydro-1h-perylene-3,10-dione
4,5,14-trihydroxy-15-(hydroxymethyl)-4,7,12-trimethyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),7,11,13-tetraene-6,10-dione
(2r,4s,10r,16r)-16-(furan-3-yl)-18-methyl-3,8,15-trioxapentacyclo[9.7.0.0²,⁴.0⁶,¹⁰.0¹³,¹⁷]octadeca-1(11),5,12,17-tetraene-7,14-dione
(1r,11r)-6-hydroxy-2,12,21-trioxahexacyclo[9.9.1.1¹,¹³.1³,⁷.0¹¹,²³.0¹⁷,²²]tricosa-3,5,7(23),13,15,17(22)-hexaene-8,18-dione
3-ethyl-6-hydroxy-8-methoxy-3,4-dihydro-2h-tetraphene-1,7,12-trione
1,2,3,4,6,7,8-heptahydroxy-10-oxo-9h-anthracene-9-carboxylic acid
(2s,4r)-4,5,10-trihydroxy-2-[(2s)-2-hydroxypropyl]-8-methoxy-2h,3h,4h-naphtho[2,3-b]pyran-6,9-dione
16-(2h-1,3-benzodioxol-5-yl)-3,5,13-trioxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,15-tetraen-14-one
(1s,3s,4s)-4-bromo-3-chloro-1-[(5r)-5-hydroxy-6-methylhepta-1,6-dien-2-yl]-4-methylcyclohexan-1-ol
(1r,6s,13r)-6-(prop-1-en-2-yl)-7,11,17,19,23-pentaoxahexacyclo[11.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]tricosa-2(10),3,8,14,16(20),21-hexaene
(1r,2s,3r,4s)-1,2,3,4,5-pentahydroxy-7-methoxy-2,8-dimethyl-3,4-dihydro-1h-anthracene-9,10-dione
methyl (1s,3r)-6-hydroxy-1,7-dimethoxy-3-methyl-10-oxo-1h,3h,4h-pyrano[4,3-b]chromene-9-carboxylate
1,6,9-trihydroxy-7ah,8ah,8bh,8ch,9h,10h-peryleno[1,2-b]oxirene-7,11-dione
3',4',7-trihydroxy-6-prenylflavone; 3',4'-methylene ether
{"Ingredient_id": "HBIN007317","Ingredient_name": "3',4',7-trihydroxy-6-prenylflavone; 3',4'-methylene ether","Alias": "NA","Ingredient_formula": "C21H18O5","Ingredient_Smile": "NA","Ingredient_weight": "350.36","OB_score": "NA","CAS_id": "126622-44-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8303","PubChem_id": "NA","DrugBank_id": "NA"}