Exact Mass: 302.0790344
Exact Mass Matches: 302.0790344
Found 500 metabolites which its exact mass value is equals to given mass value 302.0790344,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Haematoxylin
An organic heterotetracyclic compound 7,11b-dihydroindeno[2,1-c]chromene carrying five hydroxy substituents at positions 3, 4, 6a, 9 and 10. The most important and most used dye in histology, histochemistry, histopathology and in cytology. Hematoxylin appears as white to yellowish crystals that redden on exposure to light. (NTP, 1992) (+)-haematoxylin is a haematoxylin. It is an enantiomer of a (-)-haematoxylin. Hematoxylin is a natural product found in Haematoxylum brasiletto and Haematoxylum campechianum with data available. A dye obtained from the heartwood of logwood (Haematoxylon campechianum Linn., Leguminosae) used as a stain in microscopy and in the manufacture of ink. D004396 - Coloring Agents
Hesperetin
Hesperetin, also known as prestwick_908 or YSO2, belongs to the class of organic compounds known as 4-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C4 atom of the flavonoid backbone. Thus, hesperetin is considered to be a flavonoid lipid molecule. Hesperetin also seems to upregulate the LDL receptor. Hesperetin, in the form of its glycoside , is the predominant flavonoid in lemons and oranges. Hesperetin is a drug which is used for lowering cholesterol and, possibly, otherwise favorably affecting lipids. In vitro research also suggests the possibility that hesperetin might have some anticancer effects and that it might have some anti-aromatase activity. Hesperetin is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Hesperetin is a bitter tasting compound. Hesperetin is found, on average, in the highest concentration within a few different foods, such as limes, persian limes, and sweet oranges and in a lower concentration in pummelo, welsh onions, and lemons. Hesperetin has also been detected, but not quantified, in several different foods, such as yellow bell peppers, carrots, rapinis, hazelnuts, and beers. Hesperetin is a biomarker for the consumption of citrus fruits. Hesperetin reduces or inhibits the activity of acyl-coenzyme A:cholesterol acyltransferase genes (ACAT1 and ACAT2) and it reduces microsomal triglyceride transfer protein (MTP) activity. Hesperetin is a trihydroxyflavanone having the three hydroxy gropus located at the 3-, 5- and 7-positions and an additional methoxy substituent at the 4-position. It has a role as an antioxidant, an antineoplastic agent and a plant metabolite. It is a monomethoxyflavanone, a trihydroxyflavanone, a member of 3-hydroxyflavanones and a member of 4-methoxyflavanones. It is a conjugate acid of a hesperetin(1-). Hesperetin belongs to the flavanone class of flavonoids. Hesperetin, in the form of its glycoside [hesperidin], is the predominant flavonoid in lemons and oranges. Hesperetin is a natural product found in Brassica oleracea var. sabauda, Dalbergia parviflora, and other organisms with data available. Isolated from Mentha (peppermint) and numerous Citrussubspecies, with lemons, tangerines and oranges being especially good sources. Nutriceutical with anti-cancer props. Glycosides also widely distributed A trihydroxyflavanone having the three hydroxy gropus located at the 3-, 5- and 7-positions and an additional methoxy substituent at the 4-position. Acquisition and generation of the data is financially supported in part by CREST/JST. [Raw Data] CB046_Hesperetin_pos_40eV_CB000021.txt [Raw Data] CB046_Hesperetin_pos_50eV_CB000021.txt [Raw Data] CB046_Hesperetin_pos_30eV_CB000021.txt [Raw Data] CB046_Hesperetin_pos_20eV_CB000021.txt [Raw Data] CB046_Hesperetin_pos_10eV_CB000021.txt [Raw Data] CB046_Hesperetin_neg_20eV_000014.txt [Raw Data] CB046_Hesperetin_neg_10eV_000014.txt [Raw Data] CB046_Hesperetin_neg_40eV_000014.txt [Raw Data] CB046_Hesperetin_neg_50eV_000014.txt [Raw Data] CB046_Hesperetin_neg_30eV_000014.txt Hesperetin is a natural flavanone, and acts as a potent and broad-spectrum inhibitor against human UGT activity. Hesperetin regulates apoptosis. Hesperetin is a natural flavanone, and acts as a potent and broad-spectrum inhibitor against human UGT activity. Hesperetin regulates apoptosis.
Homoeriodictyol
Homoeriodictyol is a trihydroxyflavanone that consists of 3-methoxyflavanone in which the three hydroxy substituents are located at positions 4, 5, and 7. It has a role as a metabolite and a flavouring agent. It is a monomethoxyflavanone, a trihydroxyflavanone, a member of 3-methoxyflavanones and a member of 4-hydroxyflavanones. It is functionally related to an eriodictyol. Homoeriodictyol is a natural product found in Smilax corbularia, Limonium aureum, and other organisms with data available. Homoeriodictyol is a flavonoid metabolite of Eriocitrin in plasma and urine. Eriocitrin is a strong antioxidant agent[1]. Homoeriodictyol is a flavonoid metabolite of Eriocitrin in plasma and urine. Eriocitrin is a strong antioxidant agent[1].
Olsalazine
C14H10N2O6 (302.05388400000004)
Olsalazine is an anti-inflammatory drug used in the treatment of Inflammatory Bowel Disease and Ulcerative Colitis. Olsalazine is a derivative of salicylic acid. Inactive by itself (it is a prodrug), it is converted by the bacteria in the colon to mesalamine. Mesalamine works as an anti-inflammatory agent in treating inflammatory diseases of the intestines. A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07E - Intestinal antiinflammatory agents > A07EC - Aminosalicylic acid and similar agents D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D005765 - Gastrointestinal Agents D018501 - Antirheumatic Agents
Nanafrocin
A pyranonaphthoquinone antibiotic from strain OS-3966 of Streptomyces rosa var. notoensis. C254 - Anti-Infective Agent > C514 - Antifungal Agent C254 - Anti-Infective Agent > C258 - Antibiotic
Ferreirin
Isolated from Cajanus cajan (pigeon pea). Ferreirin is found in pigeon pea and pulses. Ferreirin is found in pigeon pea. Ferreirin is isolated from Cajanus cajan (pigeon pea
Bicozamycin
C12H18N2O7 (302.11139579999997)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D005765 - Gastrointestinal Agents > D000930 - Antidiarrheals C784 - Protein Synthesis Inhibitor D004791 - Enzyme Inhibitors
Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide
Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide, also known as BPDE or benzo(a)Pyrene diol epoxide, is classified as a member of the Pyrenes. Pyrenes are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system. Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide is considered to be practically insoluble (in water) and relatively neutral. It is a carcinogenic metabolite of benzo[a]pyrene (BaP) which forms adducts with DNA and proteins and is hydrolysed to BPDE tetrols. It is used as a marker for BaP exposure (a surrogate marker for PAHs). D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
Dibenzo[a,l]pyrene
This compound belongs to the family of Benzopyrenes. These are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system. D009676 - Noxae > D002273 - Carcinogens
Neo proserine
C12H19BrN2O2 (302.06298139999996)
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors
Terizidone
J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent D000890 - Anti-Infective Agents > D023303 - Oxazolidinones
fludiazepam
C16H12ClFN2O (302.06221439999996)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
5,7,3'-Trihydroxy-4'-methoxyflavanone
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one is an ether and a member of flavonoids. 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one is a natural product found in Allium caeruleum, Allium caesium, and other organisms with data available. The S-form is It is isolated from Brickellia vernicosa, Persica vulgaris (preferred genus name Prunus), Citrus and Mentha species [CCD (Rac)-Hesperetin is the racemate of Hesperetin. Hesperetin is a natural flavanone, and acts as a potent and broad-spectrum inhibitor against human UGT activity. Hesperetin induces apoptosis via p38 MAPK activation. (Rac)-Hesperetin is the racemate of Hesperetin. Hesperetin is a natural flavanone, and acts as a potent and broad-spectrum inhibitor against human UGT activity. Hesperetin induces apoptosis via p38 MAPK activation. Hesperetin is a natural flavanone, and acts as a potent and broad-spectrum inhibitor against human UGT activity. Hesperetin regulates apoptosis. Hesperetin is a natural flavanone, and acts as a potent and broad-spectrum inhibitor against human UGT activity. Hesperetin regulates apoptosis.
3,3',4,4'-Tetrahydroxy-2-methoxychalcone
3,3,4,4-Tetrahydroxy-2-methoxychalcone is found in herbs and spices. 3,3,4,4-Tetrahydroxy-2-methoxychalcone is a constituent of licorice (Glycyrrhiza sp.) Constituent of licorice (Glycyrrhiza species). 3,3,4,4-Tetrahydroxy-2-methoxychalcone is found in tea and herbs and spices. 3,3,4,4-Tetrahydroxy-2-methoxychalcone is a member of chalcones.
4'-Methoxy-2',3,7-trihydroxyisoflavanone
4-Methoxy-2,3,7-trihydroxyisoflavanone is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
Folerogenin
Folerogenin is found in root vegetables. Folerogenin is isolated from licorice (Glycyrrhiza glabra) leaves Nadolol is a nonselective beta-adrenergic receptor antagonist with a long half-life, and is structurally similar to propranolol. Clinical pharmacology studies have demonstrated beta-blocking activity by showing (1) reduction in heart rate and cardiac output at rest and on exercise, (2) reduction of systolic and diastolic blood pressure at rest and on exercise, (3) inhibition of isoproterenol-induced tachycardia, and (4) reduction of reflex orthostatic tachycardia. Nadolol has no intrinsic sympathomimetic activity and, unlike some other beta-adrenergic blocking agents, nadolol has little direct myocardial depressant activity and does not have an anesthetic-like membrane-stabilizing action. Isolated from licorice (Glycyrrhiza glabra) leaves. Folerogenin is found in root vegetables.
Isoferreirin
Constituent of Dolichos biflorus (papadi). Isoferreirin is found in scarlet bean, lima bean, and fruits. Isoferreirin is found in fruits. Isoferreirin is a constituent of Dolichos biflorus (papadi)
Blumeatin
Blumeatin is found in tea. Blumeatin is a constituent of Blumea balsamifera (sambong). Constituent of Blumea balsamifera (sambong). Blumeatin is found in tea.
4',5,7-Trihydroxy-3-methoxyflavanone
4,5,7-Trihydroxy-3-methoxyflavanone is found in european plum. 4,5,7-Trihydroxy-3-methoxyflavanone is a constituent of Prunus domestica (plum). Constituent of Prunus domestica (plum). Aromadendrin 3-methyl ether is found in fruits and european plum.
5,7,8-trihydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
2,3',6-Trihydroxy-4'-methoxybenzylcoumaranone
2,3,6-Trihydroxy-4-methoxybenzylcoumaranone is isolated from quebracho. Isolated from quebracho
Divanillin
Divanillin is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
14-methoxy-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,6,15-triol
9-(4-Hydroxyphenyl)-2-methoxy-1H-phenalen-1-one
9-(4-Hydroxyphenyl)-2-methoxy-1H-phenalen-1-one is found in fruits. 9-(4-Hydroxyphenyl)-2-methoxy-1H-phenalen-1-one is a constituent of Musa acuminata (dwarf banana) Constituent of Musa acuminata (dwarf banana). 9-(4-Hydroxyphenyl)-2-methoxy-1H-phenalen-1-one is found in fruits.
5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
3,5,7-trihydroxy-8-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
2-Hydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one
2-Hydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one is found in fruits. 2-Hydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one is a constituent of the rhizomes of Musa acuminata (dwarf banana). Constituent of the rhizomes of Musa acuminata (dwarf banana). 2-Hydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one is found in fruits.
Porric acid A
Porric acid A is found in onion-family vegetables. Porric acid A is a constituent of the bulbs of Allium porrum (leeks)
Fludiazepam
C16H12ClFN2O (302.06221439999996)
Fludiazepam is only found in individuals that have used or taken this drug. It is a drug which is a benzodiazepine derivative. It possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. It is a scheduled drug in the U.S., but is approved for use in Japan.Fludiazepam has similar action to diazepam, but binds with four times more affinity to benzodiazepine receptors than diazepam. D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Pyrogallol-2-O-glucuronide
Pyrogallol-2-O-glucuronide is a conjugate of Pyrogallol and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. Glucuronidation, the conversion of chemical compounds to glucuronides, is a method that animals use to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Enzymes that cleave the glycosidic bond of a glucuronide are called glucuronidases. (Wikipedia)
5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone-O-sulphate-O-methyl
C12H14O7S (302.04602140000003)
5-(3,5-Dihydroxyphenyl)-gamma-valerolactone-O-sulphate-O-methyl belongs to the family of Phenols and Derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group.
{2-methoxy-4-[(5-oxooxolan-2-yl)methyl]phenyl}oxidanesulfonic acid
C12H14O7S (302.04602140000003)
{2-methoxy-4-[(5-oxooxolan-2-yl)methyl]phenyl}oxidanesulfonic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 5-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one. It is generated by Sulfotransferase 1A3 (P0DMM9) and Sulfotransferase enzymes via a -4-O-sulfation-of-phenolic-compound reaction. This -4-O-sulfation-of-phenolic-compound occurs in humans.
(-)-Haematoxylin
D004396 - Coloring Agents
Cambendazole
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AD - Enzymes D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
Homoeriodictyol
Homoeriodictyol is a member of the class of compounds known as 3-o-methylated flavonoids. 3-o-methylated flavonoids are flavonoids with methoxy groups attached to the C3 atom of the flavonoid backbone. Homoeriodictyol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Homoeriodictyol can be found in coriander, which makes homoeriodictyol a potential biomarker for the consumption of this food product. Homoeriodictyol (3`-methoxy-4`,5,7-trihydroxyflavanone) is one of the 4 flavanones identified by Symrise in this plant eliciting taste-modifying property: homoeriodictyol sodium salt, eriodictyol and sterubin. Homoeriodictyol Sodium salt elicited the most potent bitter-masking activity by reducing from 10 to 40\\\\% the bitterness of salicin, amarogentin, paracetamol and quinine. However no bitter-masking activity was detected with bitter linoleic acid emulsions. According to Symrises scientists homoeriodictyol sodium salt seems to be a taste-modifier with large potential in food applications and pharmaceuticals . Homoeriodictyol is a flavonoid metabolite of Eriocitrin in plasma and urine. Eriocitrin is a strong antioxidant agent[1]. Homoeriodictyol is a flavonoid metabolite of Eriocitrin in plasma and urine. Eriocitrin is a strong antioxidant agent[1].
5-((p-Hydroxybenzylidene)amino)-3-methylisothiazolo(5,4-d)pyrimidine-4,6(5H,7H)-dione
C13H10N4O3S (302.04735900000003)
9-(2,6-Dioxo-3H-purin-9-yl)-3H-purine-2,6-dione
Terizidone
J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent D000890 - Anti-Infective Agents > D023303 - Oxazolidinones
Aromadendrin 7-methyl ether
Aromadendrin 7-methyl ether, also known as 7-methoxy-aromadendrin, is a member of the class of compounds known as 7-o-methylated flavonoids. 7-o-methylated flavonoids are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Aromadendrin 7-methyl ether is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Aromadendrin 7-methyl ether can be found in sweet cherry, which makes aromadendrin 7-methyl ether a potential biomarker for the consumption of this food product.
indole-3-acetyl-glutamate
Indole-3-acetyl-glutamate is also known as iaa-glu or N-(indol-3-ylacetyl)glutamic acid(2-). Indole-3-acetyl-glutamate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-glutamate can be found in a number of food items such as broccoli, cornmint, banana, and rapini, which makes indole-3-acetyl-glutamate a potential biomarker for the consumption of these food products.
1,11b-Dihydro-11b-hydroxymaackiain
13-Hydroxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,17-tetraen-16-one is a natural product found in Ononis viscosa with data available.
Marsupsin
A member of the class of 1-benzofurans that is 1-benzofuran-3(2H)-one, substituted by hydroxy groups at positions 2 and 6, a 4-hydroxybenzyl group at position 2 and a methoxy group at position 4. Isolated from the heartwood of Pterocarpus marsupium, it exhibits antihyperglycemic and antihyperlipidemic activities.
Porric acid A
2-Isopropenyl-4-methylanthra[2,3-b]furan-5,10-dione
Hematoxylin
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.308 D004396 - Coloring Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 0.309
Aromadendrin 3-methyl ether
Ferreirin
A hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 5, 7 and 2 and a methoxy group at position 4 respectively.
Homoeriodictyol
Homoeriodictyol is a trihydroxyflavanone that consists of 3-methoxyflavanone in which the three hydroxy substituents are located at positions 4, 5, and 7. It has a role as a metabolite and a flavouring agent. It is a monomethoxyflavanone, a trihydroxyflavanone, a member of 3-methoxyflavanones and a member of 4-hydroxyflavanones. It is functionally related to an eriodictyol. Homoeriodictyol is a natural product found in Smilax corbularia, Limonium aureum, and other organisms with data available. A trihydroxyflavanone that consists of 3-methoxyflavanone in which the three hydroxy substituents are located at positions 4, 5, and 7. Homoeriodictyol is a flavonoid metabolite of Eriocitrin in plasma and urine. Eriocitrin is a strong antioxidant agent[1]. Homoeriodictyol is a flavonoid metabolite of Eriocitrin in plasma and urine. Eriocitrin is a strong antioxidant agent[1].
2-Hydroxy-4-(4-methoxyphenyl)-6-phenylnicotinonitrile
2-[4-(2-aminophenyl)sulfanylbut-2-enylsulfanyl]aniline
PIPES
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; IHPYMWDTONKSCO-UHFFFAOYSA-N_STSL_0146_PIPES_2000fmol_180419_S2_LC02_MS02_24; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. Acquisition and generation of the data is financially supported in part by CREST/JST.
(2-Chloro-6-methyl-quinolin-3-ylmethyl)-thiophen-2-ylmethyl-amine
C16H15ClN2S (302.06444200000004)
2-(4,7-Dihydroxy-2-methyl-5-oxo-5,6,7,8-tetrahydro-naphthalen-1-yl)-6-hydroxy-pyran-4-one
1-(1,4,6-trihydroxy-7-methoxy-6H-benzo[d]chromen-2-yl)ethanone|alternethanoxin A
2-hydroxy-4beta-methyl-4alpha-(beta-D-glucopyranoside)-2,5-cyclohexadien-1-one
Nidulalin A
A member of the class xanthones which consists of a dihydroxanthone skeleton substituted by hydroxy groups at positions 4 and 8, a methyl group at position 6 and a methoxycarbonyl group at position 4a (the 4R,4aS stereoisomer). It is isolated from Emericella nidulans var lata and Penicillium and exhibits potent antitumour activity against both human and murine tumour cell lines.
(2E)-cyclopent-2-en-1-ylidene((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)acetic acid|edulilic acid
1,4-Dihydrospiro[benzofuran-3(2H),3-[3H-2]benzopyran]-16,6,7-tetrol
5,6-Z-methylenedioxypiperolide|Methylendioxypiperdid|Methylendioxypiperdiol
DECUSSATIN
A member of the class of xanthones that is xanthone substituted by a hydroxy group at position 1 and methoxy groups at positions 1, 2 and 6. It has been isolated from Centaurium erythraea and Gentiana verna.
5-acetoxy-7-benzoyloxymethyl-7H-oxepin-2-one|klaivanolide
2-methylphloroglucinol-O-beta-D-glucopyranoside|eucalmainoside A
(1RS,2RS,3SR,4RS)-3,4,7-Tri-Ac-1-(Hydroxymethy)-5-cyclohexene-1,2,3,4-tetrol
Salirepin
Salirepin is a glycoside. Salirepin is a natural product found in Itoa orientalis and Idesia polycarpa with data available.
2,4-dihydroxy-6-methylphenyl beta-D-glucopyranoside|6-O-degalloylmyrsinoside A|myrsinoside B
4-hydroxymethyl-2-methyl-3-furanylcarbonyl alpha-L-rhamnopyranoside
(3S)-5,6,4-trihydroxy-7-methoxyisoflavanone|stenocepflavan
(R)-(3-(3,4-dihydroxybenzyl))-5,7-dihydroxychroman-4-one
(7R,8R)-3,4,9-trihydroxy-4,7-epoxy-8,3-oxyneolignan-1-al
4-methoxy-6-(11,12-methylenedioxy-14-methoxystyryl)-2-pyrone
2,3-cis-3,5-dihydroxy-6-methoxydehydroiso-alpha-lapachone
(+/-)-matteucen B|3,4-dihydro-6,8-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)isochromen-1-one
Blumeatin
Blumeatin is a member of flavonoids and an ether. Blumeatin is a natural product found in Dodonaea viscosa and Vitex agnus-castus with data available.
Sterubin
7-O-Methyleriodictyol is a natural product found in Artemisia halodendron, Traversia baccharoides, and other organisms with data available.
Hesperetin
Annotation level-1 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.958 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.957 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.955 (Rac)-Hesperetin is the racemate of Hesperetin. Hesperetin is a natural flavanone, and acts as a potent and broad-spectrum inhibitor against human UGT activity. Hesperetin induces apoptosis via p38 MAPK activation. (Rac)-Hesperetin is the racemate of Hesperetin. Hesperetin is a natural flavanone, and acts as a potent and broad-spectrum inhibitor against human UGT activity. Hesperetin induces apoptosis via p38 MAPK activation. Hesperetin is a natural flavanone, and acts as a potent and broad-spectrum inhibitor against human UGT activity. Hesperetin regulates apoptosis. Hesperetin is a natural flavanone, and acts as a potent and broad-spectrum inhibitor against human UGT activity. Hesperetin regulates apoptosis.
4-Hydroxy-3-[3-(4-hydroxy-3-methoxy-phenyl)-acryloyl]-6-methyl-pyran-2-one
7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol
2-methylidene-3-(6-oxalooxyhexyl)butanedioic acid
(2R)-5,8-dihydroxy-2-(2-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
(3R)-4-Methoxy-2,3,7-trihydroxyisoflavanone
(2R)-5,8-dihydroxy-2-(2-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
2-(3-hydroxy-5-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
2-(3-hydroxy-5-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol_major
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one_major
4'-Methoxy-2',3,7-trihydroxyisoflavanone
3,5,7-Trihydroxy-3-methoxyflavanone, Homoeriodictyol
Homoeriodictyol chalcone
A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2, 4 and 6 and a methoxy group at position 3.
Benzaldehyde,2-hydroxy-, 2-(2,4-dinitrophenyl)hydrazone
Florantyrone
C78276 - Agent Affecting Digestive System or Metabolism > C66913 - Cholagogues or Choleretic Agents
10-(CYANOMETHYL)-9-FLUORO-2,3-DIHYDRO-3-METHYL-7-OXO-7H-PYRIDO[1,2,3-DE]-1,4-BENZOXAZINE-6-CARBOXYLIC ACID
C15H11FN2O4 (302.07028180000003)
N-(2-CHLORO-4-METHYLPYRIDIN-3-YL)-2-(CYCLOPROPYLAMINO)NICOTINAMIDE
3-BENZYL-2-MERCAPTO-5,6-DIMETHYL-3H-THIENO[2,3-D]PYRIMIDIN-4-ONE
5-[(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo]barbituric acid
C12H10N6O4 (302.07635000000005)
Benzenemethanol, a-(pentafluoroethyl)-a-phenyl- (9CI)
2,2-Methylenebis(4-aminophenol) dihydrochloride
C13H16Cl2N2O2 (302.05887759999996)
4-(4-Chlorophenyl)-2-(4-methylphenyl)-4-oxobutanoic acid
2-METHYL-4-[(PYRROLIDINE-1-CARBONYL)-AMINO]-N-METHYLPYRROLIDINE
2-O-(2-Methoxyethyl)uridine
C12H18N2O7 (302.11139579999997)
2'-O-(2-Methoxyethyl)-uridine is a synthetic oligonucleotide conversed from uridine. 2'-O-(2-Methoxyethyl)-uridine has the potential for chemotherapeutic agents development[1].
2-(4-METHOXYPHENYL)-4,4-BIS(METHYLTHIO)-1,3-BUTADIEN-1,1-DICARBONITRILE
N-[(2,5-dihydroxyphenyl)-(3-nitrophenyl)methyl]acetamide
2-(3,5-Dichloro-4-methoxyphenyl)4,4,5,5-tetramethyl-1,3,2-dioxaborolane
6-chloro-2-(4-ethyl-3-nitrophenyl)imidazo[1,2-b]pyridazine
C14H11ClN4O2 (302.05704959999997)
Ethyl 2-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate
(2,4-DIPHENYL-1,3-THIAZOL-5-YL)METHYLAMINE HYDROCHLORIDE
C16H15ClN2S (302.06444200000004)
5-bromo-2,4-di-tert-butoxypyrimidine
C12H19BrN2O2 (302.06298139999996)
1-ETHYNYL-4-((4-(PHENYLETHYNYL)PHENYL)ETHYNYL)BENZENE
1H-Pyrrolo[2,3-b]pyridine, 4-methoxy-1-[(4-methylphenyl)sulfonyl]-
C15H14N2O3S (302.07250940000006)
2-[(CHLOROACETYL)AMINO]-N-(3-METHYLPHENYL)BENZAMIDE
Benzeneacetic acid, 4-fluoro-.alpha.-(1-methylethyl)-, (.alpha.S)-
2-(4-Hydroxy-6-methylnicotinamido)-2-(4-hydroxyphenyl)acetic acid
4-(1-PYRROLIDINYL)-3-(TRIFLUOROMETHYL)BEZENAMINE DIHYDROCHLORIDE
N-(4-CYANO-BENZYL)-2-METHOXY-BENZENESULFONAMIDE
C15H14N2O3S (302.07250940000006)
[(Diphenylmethyl)sulfinyl]acetic Acid Ethyl Ester
C17H18O3S (302.09765980000003)
1-propiophenone tosylhydrazone 97
C16H18N2O2S (302.10889280000004)
(S)-5-AMINO-2-(((BENZYLOXY)CARBONYL)AMINO)PENTANOIC ACID HYDROCHLORIDE
Methyl [6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]ca rbamate
C14H11ClN4O2 (302.05704959999997)
1,3,4-Oxadiazole,2-(4-methoxyphenyl)-5-(2-naphthalenyl)-
6,7-DIETHOXY-4-(TRIFLUOROMETHYL)COUMARIN
C14H13F3O4 (302.07658940000005)
1H-Benzimidazole,5-[5-[[(tetrahydro-2-furanyl)methyl]thio]-1,3,4-oxadiazol-2-yl]-(9CI)
ethyl (E)-3-(3-nitrophenyl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-enoate
methyl 2-(2-methoxycarbonylphenyl)sulfanylbenzoate
C16H14O4S (302.06127640000005)
5-Carboxy-2,3-diphenyl-2H-tetrazol-3-ium chloride
C14H11ClN4O2 (302.05704959999997)
9,10-Dihydro-9-oxa-10-phosphaphenanthrene-10-propanoic acid methyl ester 10-oxide
C16H15O4P (302.07079200000004)
Benzyl2-chloro-2-[2-(4-methylphenyl)hydrazono]acetate
5-chloro-3-methylpyridin-2-amine,hydrate
C12H16Cl2N4O (302.07011059999996)
1-Butyl-2,3-Dimethylimidazolium Trifluoromethanesulfonate
C10H17F3N2O3S (302.09119280000004)
1-butyl-3-methylimidazolium trifluoromethanesulfonate
C10H17F3N2O3S (302.09119280000004)
3-[(2S,4S)-4-Mercaptopyrrolidine-2-carboxamido]benzoic acid hydrochloride
tert-Butyl [(2-nitrophenyl)sulfonyl]carbamate
C11H14N2O6S (302.05725440000003)
1-pentyl-3-methylimidazolium trifluoromethanesulfonate
C10H17F3N2O3S (302.09119280000004)
1-[2-(Z)-Methoxyimino-2-(2-aminothiazol-4-yl)acetoxy]benzotrizole
C12H10N6O2S (302.05859200000003)
cyclopenta-2,4-dien-1-yl(dimethyl)silicon,iron(2+)
1-(2,4-DIMETHOXYPHENYL)-2-(4-ISOBUTYLPHENYL)PROPAN-1-ONE
3-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
6-CHLORO-1-(PIPERIDIN-4-YL)-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE HYDROCHLORIDE
C13H16Cl2N2O2 (302.05887759999996)
1-[4-(2-Chloroethoxy)phenyl]-2-ethyl-2-phenylethanone
(S)-10-(Cyanomethyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid
C15H11FN2O4 (302.07028180000003)
1-(Phenylsulfonyl)-1H-pyrrolo[3,2-c]pyridine-2-ylboronic acid
C13H11BN2O4S (302.05325560000006)
6-((4R)-4-Methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)isoquinoline-1-carbonitrile
Forodesine hydrochloride
C471 - Enzyme Inhibitor > C2151 - Purine Nucleoside Phosphorylase Inhibitor
Flurbiprofen sodium
C15H16FNaO4 (302.09302679999996)
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C471 - Enzyme Inhibitor > C29577 - Carbonic Anhydrase Inhibitor D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
2-(4-Hydroxyphenyl)-2,3-dihydro-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one
5-((p-Hydroxybenzylidene)amino)-3-methylisothiazolo(5,4-d)pyrimidine-4,6(5H,7H)-dione
C13H10N4O3S (302.04735900000003)
D000970 - Antineoplastic Agents
1-(3,5-dimethylphenyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-dione
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one
Aspergillusone A
A member of the class of xanthones that is methyl (1S)-2,9-dihydro-1H-xanthene-1-carboxylate substituted by hydroxy groups at positions 2 and 8, a methyl group at position 6 and an oxo group at position 9. It has been isolated from the sea fan derived fungus Aspergillus sydowii.
6-Methyl-5-phenyl-2-(phenylthio)-3-pyridinecarbonitrile
(E)-N-(3,5-dimethylphenyl)-3-(5-nitrothiophen-2-yl)prop-2-enamide
C15H14N2O3S (302.07250940000006)
2-{[(E)-(4-methoxyphenyl)methylidene]amino}-5-phenyl-3-furonitrile
4-hydroxy-3-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-6-methyl-2H-pyran-2-one
2-((3,5-Dimethoxy-4-hydroxyphenyl)azo)benzoic acid
2-(4-Carcoxy-5-isopropylthiazolyl)benzopiperidine
C16H18N2O2S (302.10889280000004)
Cambendazol
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AD - Enzymes D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
446-71-9
Homoeriodictyol is a flavonoid metabolite of Eriocitrin in plasma and urine. Eriocitrin is a strong antioxidant agent[1]. Homoeriodictyol is a flavonoid metabolite of Eriocitrin in plasma and urine. Eriocitrin is a strong antioxidant agent[1].
Pyrogallol-2-O-glucuronide
Pyrogallol-2-O-glucuronide is a conjugate of Pyrogallol and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. Glucuronidation, the conversion of chemical compounds to glucuronides, is a method that animals use to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Enzymes that cleave the glycosidic bond of a glucuronide are called glucuronidases. (Wikipedia)
Glucopyranoside, 4-hydroxy-2-methoxyphenyl, beta-D-(8CI); 4-Hydroxy-2-methoxyphenyl beta-D-glucopyranoside
5,7,8-Trihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
1,2-Methylenedioxy-3,4,6-trimethoxydibenzofuran
A natural product found in Rhaphiolepis indica var. tashiroi.
2,5,7-Trihydroxy-3-(4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one
2,5,7-trihydroxy-4-methoxyisoflavanone
A hydroxyisoflavanone bearing three hydroxy substituents at positions 2, 5 and 7 in addition to a methoxy substituent at position 4.
(3R,4R)-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromene-4,7-diol
3-Oxo-4-(3-acetyl-4-oxo-5-hydroxy-1,4-dihydronaphthalene-2-yl)butyric acid
5,13-Diamino-1,7,9,15-tetraoxaspiro[7.7]pentadecane-2,6,10,14-tetrone
2-(2-phenoxyethylsulfonyl)-1H-benzimidazole
C15H14N2O3S (302.07250940000006)
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide
N-(3-fluorobenzylidene)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
N-(2-fluorobenzylidene)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
N-[5-[(4-methylphenyl)methyl]-2-thiazolyl]-2-oxolanecarboxamide
C16H18N2O2S (302.10889280000004)
N-(4-fluorophenyl)-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
4-Methyl-5-[2-[(phenylmethyl)amino]-4-thiazolyl]-2-thiazolamine
2-Hydroxybenzoic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester
4-[[(4-Oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid
C15H14N2O3S (302.07250940000006)
(E)-N-methyl-3-(2-nitrophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
C15H14N2O3S (302.07250940000006)
3-Chloro-N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-methylaniline
3-Methoxy-4-[(4-nitrophenyl)methoxy]benzaldehyde oxime
(allyl 7-azido-3,7-dideoxy-beta-L-gulo-oct-2-ulopyranosid)onate
C11H16N3O7- (302.09882059999995)
6-(2,4-Dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
[2-Methoxy-5-[(5-oxooxolan-2-yl)methyl]phenyl] hydrogen sulate
C12H14O7S (302.04602140000003)
[1-[(4-Chlorophenyl)methyl]-2-hydroxy-5-methylindol-3-yl]-oxidoazanium
[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] propanoate
Neostigmine Bromide
C12H19BrN2O2 (302.06298139999996)
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors
Olsalazine
C14H10N2O6 (302.05388400000004)
A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07E - Intestinal antiinflammatory agents > A07EC - Aminosalicylic acid and similar agents D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D005765 - Gastrointestinal Agents D018501 - Antirheumatic Agents
Benzo(a)pyrene diol epoxide
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
5-(3,5-Dihydroxyphenyl)-gamma-valerolactone-O-sulphate-O-methyl
C12H14O7S (302.04602140000003)
{2-methoxy-4-[(5-oxooxolan-2-yl)methyl]phenyl}oxidanesulfonic acid
C12H14O7S (302.04602140000003)
4-hydroxy-2-methoxyphenyl 1-O-beta-D-glucopyranoside
A monosaccharide derivative that consists of 2-methoxybenzene-1,4-diol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage. It is isolated from Acacia mearnsii.
N-(indole-3-acetyl)glutamate(2-)
A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of N-(indole-3-acetyl)glutamic acid.
3-Deazaadenosine (hydrochloride)
3-Deazaadenosine (hydrochloride) is an inhibitor of S-adenosylhomocysteine hydrolase, with a Ki of 3.9 μM; 3-Deazaadenosine has anti-inflammatory, anti-proliferative and anti-HIV activity.
SB-200646A
SB-200646A is the first selective 5-HT2B/2C over 5-HT2A receptor antagonist with pKi values of 7.5, 6.9 and 5.2 for 5-HT2B, 5-HT2C and 5-HT2A, respectively. SB-200646A is orally active and has electrophysiological and anxiolytic properties in vivo[1][2].