Exact Mass: 314.1127334
Exact Mass Matches: 314.1127334
Found 500 metabolites which its exact mass value is equals to given mass value 314.1127334,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Vanilloside
Glucovanillin is a glycoside. Glucovanillin is a natural product found in Dendrobium moniliforme, Stereospermum cylindricum, and other organisms with data available. See also: Elymus repens root (part of). Vanilloside is found in cereals and cereal products. Vanilloside is isolated from oat Isolated from oats. Vanilloside is found in oat and cereals and cereal products. Glucovanillin extracted from Vanilla planifolia Andrews and simultaneously transformed to vanillin by a combination of enzyme activities involving cell wall degradation and glucovanillin hydrolysis.
Pyraclonil
The sample was injected by direct infusion.; Precursor ion, [M-H]-, is a 37Cl-isotopolog ion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan. The sample was injected by direct infusion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.
7,8-Dihydropteroic acid
In the mammalian host, dihydrofolate biosynthesis occurs via the reduction of folic acid, whereas in plasmodia (e.g. Plasmodium berghei, a malaria parasite) the biosynthesis of 7,8-dihydropteroate, an intermediate product in dihydrofolate synthesis, occurs via the enzymic catalysis of the reaction of 2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine pyrophosphate with p-aminobenzoate. Malaria parasites synthesize their folate cofactors de novo and the antimalarial action of sulfonamides is due to their inhibiting the plasmodial dihydropteroate synthesis. The enzymes 6-hydroxymethylpterin pyrophosphokinase (EC 2.7.6.3, HPPK) and dihydropteroate synthase (EC 2.5.1.15, DHPS) catalyze sequential steps in folate biosynthesis. They are present in microorganisms but absent in mammals and therefore are especially suitable targets for antimicrobials. Sulfa drugs (sulfonamides and sulfones) currently are used as antimicrobials targeting DHPS, although resistance to these drugs is increasing. An NADPH-coupled microplate photometric assay could be used for rapid screening of chemical libraries for novel inhibitors of folate biosynthesis as the first step in developing new antimicrobial drugs targeting the folate biosynthetic pathway; in the microplate, the product of the DHPS reaction, 7,8-dihydropteroic acid, is reduced to tetrahydropteroate by excess dihydrofolate reductase (DHFR) using the cofactor NADPH (PMID: 17134675, 4354403, 3546688). 7,8-dihydropteroic acid, also known as dihydropteroinsaeure or h2pte, belongs to pterins and derivatives class of compounds. Those are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one. 7,8-dihydropteroic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 7,8-dihydropteroic acid can be synthesized from pteroic acid. 7,8-dihydropteroic acid can also be synthesized into 2-hydroxy-7,8-dihydropteroic acid. 7,8-dihydropteroic acid can be found in a number of food items such as rice, towel gourd, cauliflower, and silver linden, which makes 7,8-dihydropteroic acid a potential biomarker for the consumption of these food products. 7,8-dihydropteroic acid exists in all living species, ranging from bacteria to humans. In humans, 7,8-dihydropteroic acid is involved in the pterine biosynthesis.
Sulbentine
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use C254 - Anti-Infective Agent > C514 - Antifungal Agent Same as: D01335
[(2S)-1-hydroxy-3-phosphonooxypropan-2-yl] (2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoate
C9H19N2O8P (314.08789840000003)
NS-398
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
Ranitidine
C13H22N4O3S (314.14125420000005)
KEIO_ID R041; [MS2] KO009222 KEIO_ID R041; [MS3] KO009225 KEIO_ID R041; [MS3] KO009224 KEIO_ID R041
Ratic
C13H22N4O3S (314.14125420000005)
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BA - H2-receptor antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1945; ORIGINAL_PRECURSOR_SCAN_NO 1942 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1940; ORIGINAL_PRECURSOR_SCAN_NO 1938 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1950; ORIGINAL_PRECURSOR_SCAN_NO 1947 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1935; ORIGINAL_PRECURSOR_SCAN_NO 1932 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1990; ORIGINAL_PRECURSOR_SCAN_NO 1987 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1943; ORIGINAL_PRECURSOR_SCAN_NO 1940 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4078; ORIGINAL_PRECURSOR_SCAN_NO 4074 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4083; ORIGINAL_PRECURSOR_SCAN_NO 4078 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4111; ORIGINAL_PRECURSOR_SCAN_NO 4107 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4113; ORIGINAL_PRECURSOR_SCAN_NO 4111 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4107; ORIGINAL_PRECURSOR_SCAN_NO 4106 CONFIDENCE standard compound; INTERNAL_ID 4121 INTERNAL_ID 4121; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 1115 INTERNAL_ID 1115; CONFIDENCE standard compound
(R)-3-(METHYLAMINO)-1-PHENYLPROPANOLHYDROCHLORIDE
2'-Hydroxy-4,4',6'-trimethoxychalcone
Flavokawain A is a member of chalcones. 2-Hydroxy-4,4,6-trimethoxychalcone is a natural product found in Dahlia tenuicaulis, Piper methysticum, and other organisms with data available. See also: Piper methysticum root (part of). 2-Hydroxy-4,4,6-trimethoxychalcone is found in beverages. 2-Hydroxy-4,4,6-trimethoxychalcone is found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002). Found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002) (E)-Flavokawain A, a chalcone extracted from Kava, has anticarcinogenic effect. (E)-Flavokawain A induces apoptosis in bladder cancer cells by involvement of bax protein-dependent and mitochondria-dependent apoptotic pathway and suppresses tumor growth in mice[1]. (E)-Flavokawain A, a chalcone extracted from Kava, has anticarcinogenic effect. (E)-Flavokawain A induces apoptosis in bladder cancer cells by involvement of bax protein-dependent and mitochondria-dependent apoptotic pathway and suppresses tumor growth in mice[1]. Flavokawain A, a proming anticarcinogenic agent, is a chalcone from kava extract with anti-tumor activity. Flavokawain A induces cell apoptosis by involvement of Bax protein-dependent and mitochondria-dependent apoptotic pathway. Flavokawain A has the potential for the study of bladder cancer[1]. Flavokawain A, a proming anticarcinogenic agent, is a chalcone from kava extract with anti-tumor activity. Flavokawain A induces cell apoptosis by involvement of Bax protein-dependent and mitochondria-dependent apoptotic pathway. Flavokawain A has the potential for the study of bladder cancer[1].
p-Hydroxyphenethyl trans-ferulate
P-Hydroxyphenethyl trans-ferulate is a hydroxycinnamic acid. p-Hydroxyphenethyl trans-ferulate is a natural product found in Sida spinosa, Chaerophyllum hirsutum, and other organisms with data available. p-Hydroxyphenethyl trans-ferulate is found in herbs and spices. p-Hydroxyphenethyl trans-ferulate is a constituent of Oenanthe javanica (water dropwort). Constituent of Oenanthe javanica (water dropwort). p-Hydroxyphenethyl trans-ferulate is found in herbs and spices. p-Hydroxyphenethyl trans-ferulate has anti-hyperglycemic（yeast α-glucosidase，IC50 19.24 ± 1.73 μmol L-1）, antioxidant, and anti-inflammatory activities[1]. p-Hydroxyphenethyl trans-ferulate shows inhibiting cancer preve p-Hydroxyphenethyl trans-ferulate has anti-hyperglycemic（yeast α-glucosidase，IC50 19.24 ± 1.73 μmol L-1）, antioxidant, and anti-inflammatory activities[1]. p-Hydroxyphenethyl trans-ferulate shows inhibiting cancer preve
Ranitidine
C13H22N4O3S (314.14125420000005)
Ranitidine (CAS: 66357-35-5) is a non-imidazole blocker of histamine receptors that mediate gastric secretion (H2 receptors). It is used to treat gastrointestinal ulcers (PubChem). Ranitidine is a histamine H2-receptor antagonist that inhibits stomach acid production and is commonly used in the treatment of peptic ulcer disease (PUD) and gastroesophageal reflux disease (GERD). It is currently marketed by GlaxoSmithKline under the trade name Zantac (Wikipedia). A non-imidazole blocker of those histamine receptors that mediate gastric secretion (H2 receptors). It is used to treat gastrointestinal ulcers. -- Pubchem; Ranitidine is a histamine H2-receptor antagonist that inhibits stomach acid production, and commonly used in the treatment of peptic ulcer disease (PUD) and gastroesophageal reflux disease (GERD). It is currently marketed by GlaxoSmithKline under the trade name Zantac. -- Wikipedia [HMDB] A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BA - H2-receptor antagonists C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
Sulfaphenazole
Sulfaphenazole is only found in individuals that have used or taken this drug. Sulfaphenazole is a sulfonamide antibacterial. In bacteria, antibacterial sulfonamides act as competitive inhibitors of the enzyme dihydropteroate synthetase (DHPS), an enzyme involved in folate synthesis. As such, the microorganism will be "starved" of folate and die. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01ED - Long-acting sulfonamides S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AB - Sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
6-O-Acetylarbutin
Constituent of the leaves of immature pear (Pyrus communis) and mountain cranberry (Vaccinium vitis-idaea). 6-O-Acetylarbutin is found in many foods, some of which are fruits, pear, pomes, and cereals and cereal products. 6-O-Acetylarbutin is found in cereals and cereal products. 6-O-Acetylarbutin is a constituent of the leaves of immature pear (Pyrus communis) and mountain cranberry (Vaccinium vitis-idaea).
2,3,9-Trimethoxypterocarpan
2,3,9-Trimethoxypterocarpan is found in common pea. 2,3,9-Trimethoxypterocarpan is isolated from Pisum sativum (pea). Isolated from Pisum sativum (pea). 2,3,9-Trimethoxypterocarpan is found in pulses and common pea.
2-Hydroxyphenylacetic acid O-b-D-glucoside
2-Hydroxyphenylacetic acid O-b-D-glucoside is found in fruits. 2-Hydroxyphenylacetic acid O-b-D-glucoside is a constituent of the roots of Phyllanthus emblica (emblic). Constituent of the roots of Phyllanthus emblica (emblic). 2-Hydroxyphenylacetic acid O-b-D-glucoside is found in fruits.
1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
5,8-Dimethoxychalepensin
5,8-Dimethoxychalepensin is found in herbs and spices. 5,8-Dimethoxychalepensin is a constituent of Ruta graveolens (rue). Constituent of Ruta graveolens (rue). 5,8-Dimethoxychalepensin is found in herbs and spices.
2-O-Acetylarbutin
2-O-Acetylarbutin is found in fruits. 2-O-Acetylarbutin is a constituent of Vaccinium vacillans (blueberry). Constituent of Vaccinium vacillans (blueberry). 2-O-Acetylarbutin is found in fruits.
beta,2-Dihydroxy-4,6-dimethoxy-3-methylchalcone
beta,2-Dihydroxy-4,6-dimethoxy-3-methylchalcone is found in tea. beta,2-Dihydroxy-4,6-dimethoxy-3-methylchalcone is a constituent of Leptospermum scoparium (red tea). Constituent of Leptospermum scoparium (red tea). beta,2-Dihydroxy-4,6-dimethoxy-3-methylchalcone is found in tea.
(-)-3,4,9-Trimethoxypterocarpan
(-)-3,4,9-Trimethoxypterocarpan is found in herbs and spices. (-)-3,4,9-Trimethoxypterocarpan is a constituent of Melilotus alba (white melilot)
2-Methoxycarbonylphenyl beta-D-glucopyranoside
2-Methoxycarbonylphenyl beta-D-glucopyranoside is found in fruits. 2-Methoxycarbonylphenyl beta-D-glucopyranoside is a constituent of purple passion fruit (Passiflora edulis) and other Passiflora species. Constituent of purple passion fruit (Passiflora edulis) and other Passiflora subspecies Methyl salicylate glucoside is found in fruits.
(S)-Mandelic acid O-beta-D-Glucopyranoside
(S)-Mandelic acid O-beta-D-Glucopyranoside is found in fruits. (S)-Mandelic acid O-beta-D-Glucopyranoside is a constituent of Sambucus nigra (elderberry). Constituent of Sambucus nigra (elderberry). (S)-Mandelic acid O-beta-D-Glucopyranoside is found in fruits.
Litcubinine
Litcubinine is found in fruits. Litcubinine is an alkaloid from the roots of Litsea cubeba (mountain pepper
2'-Hydroxyenterolactone
2-Hydroxyenterolactone is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
2-Hydroxyenterolactone
2-Hydroxyenterolactone is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
4'-Hydroxyenterolactone
4-Hydroxyenterolactone is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
4-Hydroxyenterolactone
4-Hydroxyenterolactone is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
5-Hydroxyenterolactone
5-Hydroxyenterolactone is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
6'-Hydroxyenterolactone
6-Hydroxyenterolactone is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
6-Hydroxyenterolactone
6-Hydroxyenterolactone is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
7-Hydroxyenterolactone
7-Hydroxyenterolactone is a lignan polyphenol metabolite detected in biological fluids (PMID: 20428313). 7-Hydroxyenterolactone is a potential biomarker of whole grain intake.
Tyrosol glucuronide
N-[2-[[5-[(Dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-N'-methyl-2-nitroethanimidamide
C13H22N4O3S (314.14125420000005)
3-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]-dihydrofuran-2-one
C15H17F3N2O2 (314.12420579999997)
Methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate
Fenleuton
C17H15FN2O3 (314.10666519999995)
C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor
Molinate
N-(2-Cyclohexyloxy-4-nitrophenyl)methanesulfonamide
Butylcarbamoyl-(4-methylphenyl)sulfonylcarbamic acid
Ranisen
C13H22N4O3S (314.14125420000005)
Cyclopropyl-methoxycarbonyl metomidate
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists
Ratic
C13H22N4O3S (314.14125420000005)
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BA - H2-receptor antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 196
Oprea1_436908
Naringenin trimethyl ether is a natural product found in Dahlia tenuicaulis and Streptomyces diastatochromogenes with data available.
Agrimonolide
Agrimonolide is a natural product found in Spiraea formosana and Agrimonia pilosa with data available.
1-[3-Hydroxy-4-(3,4,5-trihydroxy-6-hydroxymethyltetrahydropyran-2-yloxy)phenyl]ethanone
5-Bromo-3-(3-hydroxy-3-methylpent-4-enylidene)-2,4,4-trimethylcyclohexanone
(3aR,4aS,7S,8aS)-7-Bromo-1,3,3a,4a,5,6,7,8,8a,9-decahydro-4a,8,8-trimethylfuro[3,4-b][1]benzoxepin
7,2-Dihydroxy-6,8-dimethyl-4,5-methylenedioxyflavan
7,2-Dihydroxy-5,8-dimethyl-4,5-methylenedioxyflavan
Matteucinol
A dihydroxyflavanone that is (2S)-flavanone with hydroxy groups at positions 5 and 7, methyl groups at positions 6 and 8 and a methoxy group at position 4.
Syzygiol
Flavokawin A
(E)-Flavokawain A, a chalcone extracted from Kava, has anticarcinogenic effect. (E)-Flavokawain A induces apoptosis in bladder cancer cells by involvement of bax protein-dependent and mitochondria-dependent apoptotic pathway and suppresses tumor growth in mice[1]. (E)-Flavokawain A, a chalcone extracted from Kava, has anticarcinogenic effect. (E)-Flavokawain A induces apoptosis in bladder cancer cells by involvement of bax protein-dependent and mitochondria-dependent apoptotic pathway and suppresses tumor growth in mice[1]. Flavokawain A, a proming anticarcinogenic agent, is a chalcone from kava extract with anti-tumor activity. Flavokawain A induces cell apoptosis by involvement of Bax protein-dependent and mitochondria-dependent apoptotic pathway. Flavokawain A has the potential for the study of bladder cancer[1]. Flavokawain A, a proming anticarcinogenic agent, is a chalcone from kava extract with anti-tumor activity. Flavokawain A induces cell apoptosis by involvement of Bax protein-dependent and mitochondria-dependent apoptotic pathway. Flavokawain A has the potential for the study of bladder cancer[1].
N-(2-Cyanoethyl)-N-(4-fluorophenyl)-N-(4-pyridylmethyl)thiourea
N-Bicyclo[2.2.1]hept-5-en-2-yl-N-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)thiourea
C16H18N4OS (314.12012580000004)
1,1-(2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone
Diethylene glycol dibenzoate
CONFIDENCE standard compound; INTERNAL_ID 785; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9416; ORIGINAL_PRECURSOR_SCAN_NO 9413 DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; CONFIDENCE standard compound; INTERNAL_ID 785; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; ORIGINAL_ACQUISITION_NO 9421; ORIGINAL_PRECURSOR_SCAN_NO 9419 CONFIDENCE standard compound; INTERNAL_ID 785; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9421; ORIGINAL_PRECURSOR_SCAN_NO 9419 CONFIDENCE standard compound; INTERNAL_ID 785; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9460; ORIGINAL_PRECURSOR_SCAN_NO 9458 CONFIDENCE standard compound; INTERNAL_ID 785; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9495; ORIGINAL_PRECURSOR_SCAN_NO 9492 CONFIDENCE standard compound; INTERNAL_ID 785; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9512; ORIGINAL_PRECURSOR_SCAN_NO 9507
1-(2,3,4-trimethoxy-6-hydroxyphenyl)-3-phenylpropen-1-one|1-(6-Hydroxy-2,3,4-Trimethoxyphenyl)-3-Phenyl-Propenone|6-hydroxy-2,3,4-trimethoxychalcone|6-hydroxy-2.3.4-trimethoxy-trans(?)-chalcone of mp: 104 degree|6-Hydroxy-2.3.4-trimethoxy-trans(?)-chalkon vom F:104grad|6-Hydroxy-2.3.4-trimethoxy-trans(?)-chalkon vom F:133grad|Heliandin B|Helilandin B
3-(2,3-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
1-(4-hydroxy-2,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
1alpha,2alpha,3alpha,4alpha,10alpha-Pentahydroxyguaia-11(13)ene-12,6alpha-olide
2-(Methylamino)-9-(hydroxymethyl)-3-oxo-3H-phenoxazine-1-carboxylic acid methyl ester
3alpha-chloro-1beta,2beta-epoxy-4beta,10alpha-dihydroxy-5alpha,7alphaH-guai-11(13)-en-12,6alpha-olide|3alpha-chloro-4beta,10alpha-dihydroxy-1beta,2beta-epoxy-5alpha,7alphaH-guai-11(13)en-12,6alpha-olide
beta-D-1C-(1S*,2R*,3R*,4S*,1,2,3,4,5-pentahydroxypentyl)glucopyranoside|diospyrodin
4,5-Methylene ether-2,4,5,7-Tetrahydroxy-5,8-dimethylflavan|7,2-dihydroxy-5,8-dimethyl-4,5-methylenedioxyflavan
2-Phenyl-5-hydroxy-8-(hydroxymethyl)-7-methoxy-6-methyl-2,3-dihydro-4H-1-benzopyran-4-one
2-(beta-D-glucopyranosyloxy)-1-(4-hydroxyphenyl)ethanone|4-hydroxyphenacyl beta-D-glucopyranoside|p-hydroxyphenacyl-beta-D-glucopyranoside
1-(4-hydroxyphenyl)-2-propanol 4-O-beta-D-glucopyranoside
3,7-Di-Me ether-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-methyl-5-benzofurancarboxaldehyde
2,3,5,6,11,11b-hexahydro-3-oxo-1H-indolizino<8,7-b>indole-5,11b-dicarboxylic acid|2,3,5,6,11,11b-hexahydro-3-oxo-1H-indolizino[8,7-b]indole-5,11b-dicarboxylic acid
2-methoxy-5-formylphenyl beta-D-glucopyranoside|3-(beta-D-glucopyranosyloxy)-4-methoxybenzaldehyde|3-beta-D-Glucopyranosyloxy-4-methoxy-benzaldehyd|3-beta-D-glucopyranosyloxy-4-methoxy-benzaldehyde
(2S,3R,3aR,4R,4S,5R,7R,8aR)-octahydro-3,4-dihydroxy-3-(hydroxymethyl)-5-methyl-3H-spiro[4,7-methanofuro[3,2-c]oxepine-2,2-pyran]-6(4H)-one|glochicoccin A
2-O-beta-D-galactofuranosyl-D-arabinitol|O2-beta-D-Galactofuranosyl-D-arabit|O2-beta-D-galactofuranosyl-D-arabitol
3-[(4-hydroxyphenyl)methyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one
1alpha-hydroxypseudoanisatin|1??-Hydroxypseudoanisatin
5,7-dihydroxy-6-methyl-3-(4-methoxybenzyl)-chroman-4-one
2-hydroxy-5-methylbenzoyl-beta-L-glucopyranoside|p-cresotyl glucoside
3-methoxy-4,4-dihydroxy-7-oxo-9-nor-3,7-epoxy-8,2-neolignane
1-(4-methoxy-2,5-dimethylphenyl)-beta-D-glucopyranose|dunnianoside H
(10S)-6,11,12-trihydroxy-15,16-dinorpimara-1,5,8,11,13-pentaene-3,7-dione|6,11,12-trihydroxy-15,16-dinor-ent-pimara-1,5,8,11,13-pentaene-3,7-dione|dryperrein D
1,13,14-trihydroxy-3,4-anhydrofloridanolide|dunnianolide B
2,5,6,3,4-Pentahydroxy-3,4-tetramethylen-stilben|2-(3,4-Dihydroxy-styryl)-tetralintriol-(1,3,5)|3-(3,4-dihydroxy-styryl)-5,6,7,8-tetrahydro-naphthalene-1,2,4-triol|3-(3,4-Dihydroxy-styryl)-5,6,7,8-tetrahydro-naphthalin-1,2,4-triol|Piceatannol
4,5-Methylene ether-2,4,5,7-Tetrahydroxy-6,8-dimethylflavan|7,2-dihydroxy-6,8-dimethyl-4,5-methylenedioxyflavan
(11)7,14-ortholactone of 14-hydroxy-3-oxofloridanolide
Me ester,di-Me ether-3,7-Dihydroxy-1,9-dimethyl-2-dibenzofurancarboxylic acid
7-oxo-N(8)-(D-ribityl)-7,8-dihydrolumazin|8-D-ribitol-1-yl-1H,8H-pteridine-2,4,7-trione
6-(4-hydroxy-3-methylbut-2-enyl)-1,5-dihydroxyxanthone
(-)-(2S,3S,6S,9R)-2-bromo-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-7-ene-3,9-diol|8-bromo-3,7,7-trimethyl-11-methylenespiro[5.5]undec-1-en-3,9-diol|isorigidol
5alpha,6beta,7alpha,10alpha,12alpha-hexahydroxycyclodeca-1,4-benzoquinone|alopecuquinone
1-[2-(Hydroxymethyl)-2-propenyl]-3,7-dimethoxydibenzofuran-2-ol
4,9-Dimethoxy-6-(3-methyl-2-butenyl)-7H-furo[3,2-g][1]benzopyran-7-one
4-[5-(3-Hydroxypropyl)benzofuran-2-yl]-5-methoxyresorcinol
1-(2-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
5-(3-hydroxypropyl)-2-(2-methoxy-3,4-dihydroxyphenyl)benzofuran
(2S)-3,4-methylenedioxy-5,7-dimethoxyflavan|(2S)-3,4-Methylenedioxy-5,7-dimethoxyflavane
homocyclolongipesin 9-O-acetate|O-Ac-Homocyclolongipesin
Tribufos
D010575 - Pesticides > D010574 - Pesticide Synergists D010575 - Pesticides > D006540 - Herbicides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
15,16-Dihydrotanshindiol C
SPA-9C (TENTATIVE)
C15H22O5S (314.11878820000004)
TENTATIVELY IDENTIFIED SPECTRUM ONLY!!!!!!!!!; Extracted (without noise removal) from ZUE_N: mz313_11_rt10_56_HCD60_SPA-9C; CONFIDENCE Tentative identification: isomers possible (Level 3); Good match to 6phiC9SPC, LIT00035
8phiC9SPC
C15H22O5S (314.11878820000004)
Literature spectrum; CONFIDENCE Identification confirmed with Reference Standard (Level 1); Digitised from figure: approximate intensities
6phiC9SPC
C15H22O5S (314.11878820000004)
Literature spectrum; CONFIDENCE Identification confirmed with Reference Standard (Level 1); Digitised from figure: approximate intensities
Vanilloside
Origin: Plant, Glycosides, Benzaldehydes Glucovanillin extracted from Vanilla planifolia Andrews and simultaneously transformed to vanillin by a combination of enzyme activities involving cell wall degradation and glucovanillin hydrolysis.
trimethylene bis(4-aminobenzoate)
CONFIDENCE standard compound; INTERNAL_ID 291; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7854; ORIGINAL_PRECURSOR_SCAN_NO 7850 CONFIDENCE standard compound; INTERNAL_ID 291; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7867; ORIGINAL_PRECURSOR_SCAN_NO 7864 CONFIDENCE standard compound; INTERNAL_ID 291; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7905; ORIGINAL_PRECURSOR_SCAN_NO 7903 CONFIDENCE standard compound; INTERNAL_ID 291; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7898; ORIGINAL_PRECURSOR_SCAN_NO 7895 CONFIDENCE standard compound; INTERNAL_ID 291; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7906; ORIGINAL_PRECURSOR_SCAN_NO 7902
sulfaphenazole
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01ED - Long-acting sulfonamides S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AB - Sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
hydroxyphenethylferulate
p-Hydroxyphenethyl trans-ferulate has anti-hyperglycemic（yeast α-glucosidase，IC50 19.24 ± 1.73 μmol L-1）, antioxidant, and anti-inflammatory activities[1]. p-Hydroxyphenethyl trans-ferulate shows inhibiting cancer preve p-Hydroxyphenethyl trans-ferulate has anti-hyperglycemic（yeast α-glucosidase，IC50 19.24 ± 1.73 μmol L-1）, antioxidant, and anti-inflammatory activities[1]. p-Hydroxyphenethyl trans-ferulate shows inhibiting cancer preve
2-Hydroxyphenylacetic acid O-b-D-glucoside
(S)-Mandelic acid O-beta-D-Glucopyranoside
b,2-Dihydroxy-4,6-dimethoxy-3-methylchalcone
2'-Hydroxyenterolactone
2-Hydroxyenterolactone
4'-Hydroxyenterolactone
4-Hydroxyenterolactone
5-Hydroxyenterolactone
6'-Hydroxyenterolactone
6-Hydroxyenterolactone
7-Hydroxyenterolactone
N-[6-[(4-AMINOPHENYL)THIO]-1H-BENZIMIDAZOL-2-YL]-CARBAMIC ACID METHYL ESTER
sodium diisopropylnaphthalenesulphonate
C16H19NaO3S (314.09525440000004)
Cyclopropyl(diphenyl)sulfonium tetrafluoroborate
C15H15BF4S (314.09235880000006)
2-[4-(2-Pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide
(R)-5-(chloromethyl)-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one
C14H16ClFN2O3 (314.08334279999997)
2-[[2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetyl]amino]acetic acid
4-[(4-METHYL-BENZYLAMINO)-METHYL]-3-NITRO-BENZOICACIDMETHYLESTER
5-METHYL-2-(4-TRIFLUOROMETHOXYPHENYL)-3H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
C14H13F3N2O3 (314.08782240000005)
methopromazine
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
2-(4-Isopropyl-1,3-thiazol-2-yl)-7-methoxy-8-methylchinolin-4-ol
C17H18N2O2S (314.10889280000004)
(3-((2-Morpholinoethyl)carbamoyl)phenyl)boronic acid hydrochloride
C13H20BClN2O4 (314.12045800000004)
1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride
(2S,4S)-1-CBZ-4-amino Pyrrolidine-2-carboxylic acid Methylester-HCl
2-PHENYLTHIO-5-PROPIONYLPHENYLACETICACIDMETHYLESTER
C18H18O3S (314.09765980000003)
Amprolium
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
3-(Boc-amino)-3-(4-chlorophenyl)-N-hydroxypropanamide
4-(1-Phenyl-1H-benzimidazol-2-yl)phenylboronic acid
2-(4-((TERT-BUTOXYCARBONYL)AMINO)PHENYL)NICOTINIC ACID
3-(2-NAPHTHALEN-2-YL-2-OXO-ETHYLIDENE)-3,4-DIHYDRO-1H-QUINOXALIN-2-ONE
5-naphthalen-2-yl-1-phenylpyrazole-3-carboxylic acid
Methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants
Methyl 2-chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
C14H17BClFO4 (314.08923940000005)
1-N-CBZ-piperazine-2-carboxylic acid Methyl ester-HCl
3-[2-Methoxy-4-(methoxycarbonyl)-4-biphenylyl]propanoic acid
(3aR)-7α-Bromo-1,3,3aβ,4aα,5,6,7,8,8aβ,9-decahydro-4a,8,8-trimethylfuro[3,4-b][1]benzoxepin
[4-(2-Phenyl-1H-benzimidazol-1-yl)phenyl]-boronic acid
(3-(4-(2-Hydroxyethyl)piperazine-1-carbonyl)phenyl)boronic acid hydrochloride
C13H20BClN2O4 (314.12045800000004)
1-Propanol,2-[(tetrahydro-2H-pyran-2-yl)oxy]-,4-methylbenzenesulfonate,(2S)-
C15H22O5S (314.11878820000004)
(1S,2S,3R,5S)-(+)-2,3-pinanediol 4-bromobutylboronate ester
C14H24BBrO2 (314.10526139999996)
2-[4-(4-chlorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4-Pyridinecarboximidamide hydrochloride
C12H16Cl2N6 (314.08134359999997)
ethyl 3-(2-ethoxy-1-(4-fluorophenyl)-2-oxoethylthio)propanoate
C15H19FO4S (314.09880260000006)
6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline
3-(1-phenyl-1H-benzo[d]iMidazol-2-yl)phenylboronic acid
2-[4-[(4-nitrophenyl)diazenyl]-N-(2,2,2-trideuterioethyl)anilino]ethanol
C16H18N4O3 (314.13788380000005)
4,5-bis(2-methoxyethoxy)-2-nitrobenzamide
C13H18N2O7 (314.11139579999997)
N-(4-Fluorophenyl)-N-(4-hydroxyphenyl)cyclopropane-1,1-dicarboxamide
C17H15FN2O3 (314.10666519999995)
1-(4-nitro-benzylamino)-cyclohexanecarboxylic acid hydrochloride
Molidustat
C471 - Enzyme Inhibitor Molidustat (BAY 85-3934) is a novel inhibitor of hypoxia-inducible factor prolyl hydroxylase (HIF-PH) with mean IC50 values of 480 nM for PHD1, 280 nM for PHD2, and 450 nM for PHD3.
(2S,4R)-Methyl 4-(((benzyloxy)carbonyl)amino)pyrrolidine-2-carboxylate hydrochloride
(E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-2-propenenitrile
ethyl 1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
C14H13F3N2O3 (314.08782240000005)
acetic acid,(6E)-4-fluoro-6-(2-phenyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
C17H15FN2O3 (314.10666519999995)
N-(4-Aminobutyl)-2-naphthalenesulfonamide Hydrochloride
(R,R)-(+)-1-(1-Naphthyl)-2-(2-naphthyl)-1,2-ethanediol
3-[3-[2-(2-Tetrahydropyranyloxy)ethyl]ureido]thiophene-2-carboxy
tert-Butyl 4-(5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)piperazine-1-carboxylate
C13H19ClN4O3 (314.11456139999996)
4-Chloro-2-fluoro-5-propoxyphenylboronic acid, pinacol ester
4-N-CBZ-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER-HCl
2-(4-Chloro-2-fluoro-5-isopropoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
(S)-4-N-CBZ-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER-HCl
3-(4-((TERT-BUTOXYCARBONYL)AMINO)PHENYL)PICOLINIC ACID
ALPHA-AMINO-1H-PYRAZOLE-1-PROPIONICACID
C14H13F3N2O3 (314.08782240000005)
MAZ51
C21H18N2O (314.14190579999996)
4-[4-(2-Hydroxyethyl)-1-piperazinylcarbonyl]benzeneboronic acid
C13H20BClN2O4 (314.12045800000004)
METHYL 6-(4-METHOXYPHENYLAMINO)-5-OXO-1,2,3,5-TETRAHYDROINDOLIZINE-8-CARBOXYLIATE
1,2-Hydrazinedicarboxylicacid, 1-methyl-, 1,2-bis(phenylmethyl) ester
(R)-PIPERAZINE-1,2-DICARBOXYLIC ACID 1-BENZYL ESTER 2-METHYL ESTER
(R)-4-N-CBZ-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER-HCl
(S)-1-Benzyl 2-methyl piperazine-1,2-dicarboxylate hydrochloride
1H-Imidazole-5-carboxylic acid, 1-((1R)-1-phenylethyl)-, 1-(methoxycarbonyl)cyclopropyl ester
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists
3-Methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde
(2-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
2-[(3-Chlorophenyl)-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile
N-[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]-2-pyrazinecarbohydrazide
C16H18N4O3 (314.13788380000005)
N-[4-[oxo(1-piperidinyl)methyl]phenyl]-2-thiophenecarboxamide
C17H18N2O2S (314.10889280000004)
N-cyclopentyl-2-[[6-(2-pyridinyl)-3-pyridazinyl]thio]acetamide
C16H18N4OS (314.12012580000004)
N-[2-(Diethylamino)ethyl]-2-hydroxy-5-(methylsulfonyl)benzamide (Desmethyltiapride)
C14H22N2O4S (314.13002120000004)
5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine
4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
3-[(5S)-1-Acetyl-3-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-YL]phenol
2-Hydroxy-5-{[(1E)-2-phenylethylidene]amino}-L-tyrosine
Fenleuton
C17H15FN2O3 (314.10666519999995)
C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor
84873-15-4
p-Hydroxyphenethyl trans-ferulate has anti-hyperglycemic（yeast α-glucosidase，IC50 19.24 ± 1.73 μmol L-1）, antioxidant, and anti-inflammatory activities[1]. p-Hydroxyphenethyl trans-ferulate shows inhibiting cancer preve p-Hydroxyphenethyl trans-ferulate has anti-hyperglycemic（yeast α-glucosidase，IC50 19.24 ± 1.73 μmol L-1）, antioxidant, and anti-inflammatory activities[1]. p-Hydroxyphenethyl trans-ferulate shows inhibiting cancer preve
8-Methyl-8-(4-sulfophenyl)octanoic acid
C15H22O5S (314.11878820000004)
3-Methoxy-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-YL]oxy}benzaldehyde
(2S)-2-[[(5R)-3-(carboxylatomethylimino)-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohexen-1-yl]amino]propanoate
C13H18N2O7-2 (314.11139579999997)
4-[[(2-Amino-4-oxo-3,5,7,8-tetrahydropteridin-6-ylidene)amino]methyl]benzoic acid
(3R,4S)-3-[(R)-hydroxy-(3-hydroxyphenyl)methyl]-4-[(3-hydroxyphenyl)methyl]oxolan-2-one
2,2,4-Trihydroxy-6-methoxy-3,5-dimethylchalcone
A member of the class of chalcones that is 3,5-dimethylchalcone substituted by hydroxy groups at positions 2, 2 and 4 and a methoxy group at position 6. Isolated from Psorothamnus polydenius, it exhibits antiparasitic activity.
(E)-4,2,4-trihydroxy-6-methoxy-3,5-dimethylchalcone
A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2 and 4, a methoxy group at position 6 and methyl groups at positions 3 and 5. Isolated from the buds of Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2.
(2S,3S)-Sulfated pterosin C
C14H18O6S (314.08240480000006)
A natural product found in Acrostichum aureum.
(2S)-2,7-Dihydroxy-5-methoxy-6,8-dimethylflavanone
A dihydroxyflavanon that is (2S)-flavanone substituted by hydroxy groups at positions 2 and 7, a methoxy group at position 5 and methyl groups at positions 6 and 8. Isolated from the buds of Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2.
(E)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
C17H18N2O2S (314.10889280000004)
1-(1,3-Benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
1-[[Oxo(3-pyridinyl)methyl]amino]-3-(4-propan-2-ylphenyl)thiourea
C16H18N4OS (314.12012580000004)
3-{5-[3-(3-fluorophenyl)-3-oxoprop-1-en-1-yl]-1-methyl-1H-pyrrol-2-yl}-N-hydroxyacrylamide
C17H15FN2O3 (314.10666519999995)
N-[(E)-[4-(4-Fluoroanilino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide
C16H15FN4O2 (314.11789819999996)
(E)-N-(4-Methylpiperazin-1-yl)-1-[5-(4-nitrophenyl)furan-2-yl]methanimine
C16H18N4O3 (314.13788380000005)
(2-Methyl-3-imidazo[1,2-a]pyridinyl)-diphenylmethanol
C21H18N2O (314.14190579999996)
1-(1,3-Benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)thiourea
C17H18N2O2S (314.10889280000004)
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-nitrophenyl)acetamide
9-Oxo-3-fluorenecarboxylic acid (phenylmethyl) ester
1-(2,5-Dimethoxyphenyl)sulfonyl-4-ethylpiperazine
C14H22N2O4S (314.13002120000004)
N-[2-[(phenylmethyl)amino]-1,3-benzodioxol-2-yl]carbamic acid ethyl ester
1-[1-(2,3-Dihydro-1,4-benzodioxin-3-yl)ethyl]-3-phenylthiourea
C17H18N2O2S (314.10889280000004)
2-[[(1,3-Benzodioxol-5-ylamino)-oxomethyl]amino]benzoic acid methyl ester
3-(2-fluorophenyl)-2-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
C18H16F2N2O (314.12306299999995)
1-[[2-(3-Methylanilino)-1-oxoethyl]amino]-3-phenylthiourea
C16H18N4OS (314.12012580000004)
N-[2-(1-naphthalenyloxy)-1-oxoethyl]-2-oxolanecarbohydrazide
(7-Methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-morpholinyl)methanone
[(2S)-1,3-dimethyl-3-nitro-1-spiro[cyclohepta[d]imidazol-3-ium-2,4-cyclohexa-2,5-diene]ylidene]-dioxidoammonium
1,4-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol
C12H18N4O6 (314.12262880000003)
6-(butan-2-ylthio)-1-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
C16H18N4OS (314.12012580000004)
N-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
2-(6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-1,3-benzothiazole
(2R,3S)-sulfated pterosin C, (+)-
C14H18O6S (314.08240480000006)
A natural product found in Acrostichum aureum.
(5,5-Dimethyl-2-oxotetrahydro-3-furanyl)methyl 4-methoxybenzenesulfonate
C14H18O6S (314.08240480000006)
3-{(3E)-4-hydroxy-6-oxo-3-[(2-phenylethyl)imino]cyclohexa-1,4-dien-1-yl}-L-alanine
A non-proteinogenic L-alpha-amino acid obtained by formal condensation of the 3-oxo group of L-topaquinone with the amino group of 2-phenylethylamine.
N-(sec-butyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
C17H18N2O2S (314.10889280000004)
1,2-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol
C12H18N4O6 (314.12262880000003)
2-[[(2R)-2-acetyloxy-3-methoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxymethyl]-1H-benzimidazole
2-fluoro-N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]benzamide
2-fluoro-N-[[(2S,3S,4S)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]benzamide
[(1S,2aS,8bS)-2-[(2-chlorophenyl)methyl]-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
[(1R,2aR,8bR)-2-[(2-chlorophenyl)methyl]-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
2-fluoro-N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]benzamide
2-fluoro-N-[[(2R,3R,4R)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]benzamide
[(1S,2aR,8bR)-2-[(2-chlorophenyl)methyl]-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
[(1R,2aS,8bS)-2-[(2-chlorophenyl)methyl]-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
sodium (allyl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulopyranosid)onate
6-(4-Ethyl-3-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
5-Hydroxy-7-methoxy-3-(3-methoxyphenyl)-8-methyl-2,3-dihydrochromen-4-one
4-Chloro-N-[(E)-(4-oxo-4-phenylbutan-2-ylidene)amino]benzamide
N-(2,6-dimethylphenyl)-2-(7H-purin-1-ium-6-ylsulfanyl)acetamide
2-hydroxy-N-[(Z)-[2-(2,2,2-trifluoroacetyl)cyclopentylidene]amino]benzamide
C14H13F3N2O3 (314.08782240000005)
2-(3,4-dichlorophenyl)-N-methyl-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
C16H24Cl2N2 (314.13164439999997)
6-(4-Ethyl-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
an (S)-cis-N-methyl-7,8,13,14-tetrahydroprotoberberine
2-[hydroxy-[(2R)-2-hydroxy-3-propanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
[(3R,4R)-1-(5-aminopentylamino)-4,5-dihydroxy-2-oxopentan-3-yl] dihydrogen phosphate
2-[hydroxy-[(2R)-3-hydroxy-2-propanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[Hydroxy-(2-hydroxy-3-propanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
Avenein
Glucovanillin is a glycoside. Glucovanillin is a natural product found in Dendrobium moniliforme, Stereospermum cylindricum, and other organisms with data available. See also: Elymus repens root (part of). Glucovanillin extracted from Vanilla planifolia Andrews and simultaneously transformed to vanillin by a combination of enzyme activities involving cell wall degradation and glucovanillin hydrolysis.
dihydropteroate
A pteroic acid derivative arising from formal hydrogenation of the 7,8-double bond of pteroic acid.
2-hydroxy-5-[(1E)-(2-phenylethylidene)amino]-L-tyrosine
An imine that is L-tyrosine bearing an additional hydroxy substituent at position 2 as well as a (2-phenylethylidene)amino substituent at position 5.