Exact Mass: 258.028538
Exact Mass Matches: 258.028538
Found 500 metabolites which its exact mass value is equals to given mass value 258.028538,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Mesuaxanthone A
Mesuaxanthone A is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at bpositions 1 and 5 and a methoxy group at position 3. It has a role as a plant metabolite. It is a member of xanthones, a polyphenol and an aromatic ether. Mesuaxanthone A is a natural product found in Calophyllum inophyllum, Hypericum chinense, and other organisms with data available. A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at bpositions 1 and 5 and a methoxy group at position 3.
METOBROMURON
C9H11BrN2O2 (258.00038459999996)
CONFIDENCE standard compound; INTERNAL_ID 2621
6-Phosphonoglucono-D-lactone
6-phosphonoglucono-d-lactone, also known as D-glucono-1,5-lactone 6-phosphate or 6-pgdl, is a member of the class of compounds known as hexose phosphates. Hexose phosphates are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups. 6-phosphonoglucono-d-lactone is soluble (in water) and a moderately acidic compound (based on its pKa). 6-phosphonoglucono-d-lactone can be found in a number of food items such as chicory leaves, pepper (c. chinense), opium poppy, and green bell pepper, which makes 6-phosphonoglucono-d-lactone a potential biomarker for the consumption of these food products. 6-phosphonoglucono-d-lactone can be found primarily in cellular cytoplasm. 6-phosphonoglucono-d-lactone exists in all living species, ranging from bacteria to humans. In humans, 6-phosphonoglucono-d-lactone is involved in warburg effect, which is a metabolic disorder. 6-phosphoglucono-delta-lactone (d-6PGL) is the immediate product of the Glucose-6-phosphate dehydrogenase (G-6-PD), the first enzyme of the hexose monophosphate pathway. (PMID 3711719). The pentose-phosphate pathway provides reductive power and nucleotide precursors to the cell through oxidative and nonoxidative branches. 6-Phosphogluconolactonase is the second enzyme of the oxidative branch and catalyzes the hydrolysis of 6-phosphogluconolactones, the products of glucose 6-phosphate oxidation by glucose-6-phosphate dehydrogenase. By efficiently catalyzing the hydrolysis of d-6PGL, 6-phosphogluconolactonase prevents the reaction between d-6PGL and intracellular nucleophiles; such a reaction would interrupt the functioning of the pentose-phosphate pathway. (PMID 11457850).
Gentisin
Gentisin is found in alcoholic beverages. Gentisin is a pigment from root of Gentiana lutea (yellow gentian
Isogentisin
Isogentisin is found in alcoholic beverages. Isogentisin is isolated from roots of Gentiana lutea (yellow gentian
5,6,8-Trihydroxy-2-methylbenzo[g]chromen-4-one
5,6,8-Trihydroxy-2-methylbenzo[g]chromen-4-one is found in coffee and coffee products. 5,6,8-Trihydroxy-2-methylbenzo[g]chromen-4-one is isolated from seeds of Cassia tora (charota). Isolated from seeds of Cassia tora (charota). Norrubrofusarin is found in coffee and coffee products, herbs and spices, and pulses.
3-CARBETHOXYPSORALEN
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
2-Keto-3-deoxy-6-phosphogluconic acid
2-Keto-3-deoxy-6-phosphogluconic acid is a substrate for Fructose-bisphosphate aldolase A. It can be found in Achromobacter, Alcaligenes, Clostridium and Rhodobacteraceae (PMID: 5383859; PMID: 5304016) (M. Szymona and M. Doudoroff. Carbohydrate Metabolism in Rhodopseudomonas spheroides. J. Gen. Microbiol (1960). 22: 167-183). 2-Keto-3-deoxy-6-phosphogluconic acid is a substrate for Fructose-bisphosphate aldolase A. [HMDB]
Alternariol
Alternariol is found in mushrooms. Alternariol occurs in mycelium of Alternaria tenuis responsible for alternaria cone disorder in hops and fruit spot on papaya (Carica papaya) and Passiflora species.Alternariol is a toxic metabolite of Alternaria fungi. It is an important contaminant in cereals and fruits D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D004791 - Enzyme Inhibitors
Salsalate
N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BA - Salicylic acid and derivatives 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 D018501 - Antirheumatic Agents
9-Fluorenylmethyl chloroformate
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
Lofexidine
Lofexidine is an alpha2-adrenergic receptor agonist. It can be used as a short acting anti-hypertensive, but is mostly used to help relieve symptoms of heroin or opiate withdrawal in opiate dependency. It is approved in the United Kingdom, but is still undergoing clinical trials in the United States. N - Nervous system > N07 - Other nervous system drugs > N07B - Drugs used in addictive disorders > N07BC - Drugs used in opioid dependence C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents Lofexidine is a selective α2-receptor agonist, commonly used to alleviate the physical symptoms of heroin and other types of opioid withdrawal[1][2].
Alfafuran
Alfafuran is found in pulses. Alfafuran is a stress metabolite of Medicago sativa (alfalfa). Stress metabolite of Medicago sativa (alfalfa). Alfafuran is found in pulses.
(±)-2-(3,4-Dihydroxyphenyl)-1,3-benzodioxole-5-carboxaldehyde
(±)-2-(3,4-Dihydroxyphenyl)-1,3-benzodioxole-5-carboxaldehyde is found in herbs and spices. (±)-2-(3,4-Dihydroxyphenyl)-1,3-benzodioxole-5-carboxaldehyde is a constituent of Melissa officinalis (lemon balm). Constituent of Melissa officinalis (lemon balm). (±)-2-(3,4-Dihydroxyphenyl)-1,3-benzodioxole-5-carboxaldehyde is found in tea and herbs and spices.
Salsalate
Salsalate is a nonsteroidal anti-inflammatory agent for oral administration. Salsalates mode of action as an anti-inflammatory and antirheumatic agent may be due to inhibition of synthesis and release of prostaglandins. The usefulness of salicylic acid, the active in vivo product of salsalate, in the treatment of arthritic disorders has been established. In contrast to aspirin, salsalate causes no greater fecal gastrointestinal blood loss than placebo. Salsalate is readily soluble in the small intestine where it is partially hydrolyzed to two molecules of salicylic acid. A significant portion of the parent compound is absorbed unchanged and undergoes rapid esterase hydrolysis in the body. The parent compound has an elimination half-life of about 1 hour. Salicylic acid (the active metabolite) biotransformation is saturated at anti-inflammatory doses of salsalate. Such capacity limited biotransformation results in an increase in the half-life of salicylic acid from 3.5 to 16 or more hours. N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BA - Salicylic acid and derivatives 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 D018501 - Antirheumatic Agents
Porric acid C
Porric acid C is found in onion-family vegetables. Porric acid C is a constituent of the bulbs of Allium porrum (leek)
Ethoxzolamide
Ethoxzolamide is only found in individuals that have used or taken this drug. It is a carbonic anhydrase inhibitor used as diuretic and in glaucoma. It may cause hypokalemia. [PubChem]Ethoxzolamide binds and inhibits carbonic anhydrase I. Carbonic anhydrase plays an essential role in facilitating the transport of carbon dioxide and protons in the intracellular space, across biological membranes and in the layers of the extracellular space. The inhibition of this enzyme effects the balance of applicable membrane equilibrium systems. This reduction in carbonic anhydrase also reduces the intraocular pressure in the eye by decreasing aqueous humor. D004791 - Enzyme Inhibitors > D002257 - Carbonic Anhydrase Inhibitors C471 - Enzyme Inhibitor > C29577 - Carbonic Anhydrase Inhibitor D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic D045283 - Natriuretic Agents > D004232 - Diuretics
6-O-phosphonato-D-glucono-1,5-lactone(2-)
6-O-phosphonato-D-glucono-1,5-lactone(2-) is also known as 6-phosphonoglucono-delta-Lactone or 6-PGDL. 6-O-phosphonato-D-glucono-1,5-lactone(2-) is considered to be soluble (in water) and acidic
9-Fluorenylmethyl chloroformate
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
D-fructose 6-phosphate
D-fructose 6-phosphate is a member of the class of compounds known as hexose phosphates. Hexose phosphates are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups. D-fructose 6-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). D-fructose 6-phosphate can be found in a number of food items such as roselle, cashew nut, red bell pepper, and cucumber, which makes D-fructose 6-phosphate a potential biomarker for the consumption of these food products.
alpha-D-glucose 6-phosphate
Mannose 6-phosphate, also known as mannose 6-phosphoric acid, is a member of the class of compounds known as hexose phosphates. Hexose phosphates are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups. Mannose 6-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). Mannose 6-phosphate can be found in a number of food items such as japanese chestnut, rubus (blackberry, raspberry), allium (onion), and nanking cherry, which makes mannose 6-phosphate a potential biomarker for the consumption of these food products. Mannose 6-phosphate may be a unique E.coli metabolite. The M6P-tagged lysosomal enzymes are shipped to the late endosomes via vesicular transport. Enzyme replacement therapy (ERT) for several lysosomal storage diseases relies on this pathway to efficiently direct synthetic enzymes to the lysosome where each can metabolize its particular substrate. The pH in the late endosome can reach 6.0, which causes dissociation of M6P from its receptor. Upon release, the enzymes are ferried to their final destination in the lysosomes. The MPRs are packed into vesicles that bud off the late endosome and return to the "trans"-Golgi network. In this way, the MPRs can be recycle.
Gentisin
Gentisin is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 7 and a methoxy group at position 3. It has a role as a plant metabolite. It is a member of xanthones, a polyphenol and an aromatic ether. Gentisin is a natural product found in Pterocarpus santalinus, Gentiana orbicularis, and other organisms with data available. See also: Menyanthes trifoliata leaf (part of). A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 7 and a methoxy group at position 3. Gentisin is found in alcoholic beverages. Gentisin is a pigment from root of Gentiana lutea (yellow gentian
Porric acid C
1,7-Dihydroxy-4-methoxyxanthone
A member of the class of xanthones that is 9H-xanthene substituted by hydroxy groups at positions 1 and 7, a methoxy group at position 4 and an oxo group at position 9. It has been isolated from the stems of Cratoxylum cochinchinense.
Ethofumesate-2-hydroxy
C11H14O5S (258.05619140000005)
CONFIDENCE standard compound; UCHEM_ID 4196
CRATOXYARBORENONE F
A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 6 and a methoxy group at position 4. It is isolated from Cratoxylum Sumatranum and exhibits cytotoxicity towards the KB (human oral epidermoid) cancer cell line.
1-Me ether-1,5,6-Trihydroxyxanthone|5,6-dihydroxy-1-methoxyxanthone
5-hydroxy-2-(1-hydroxyethyl)naphtho[2,3-b]furan-4,9-dione
(E)-3-(4-chlorophenyl)-3-phenylacrylic acid|3c-Phenyl-3t-(4-chlor-phenyl)-acrylsaeure|3c-phenyl-3t-(4-chloro-phenyl)-acrylic acid
(+)-12-acetoxy-13-chloro-tridec-10t-ene-2,4,6,8-tetrayne|12-Acetoxy-13-chlor-10t-tridecen-2.4.6.8-tetrain|Ac-1-Chloro-3-tridecene-5, 7, 9, 11-tetrayn-2-ol
12-Chlor-13-acetoxy-tridecaen-(10)-tetrain-(2,4,6,8)|13-acetoxy-12-chloro-tridec-10-ene-2,4,6,8-tetrayne|2-Chlor-1-acetoxy-tridecatetrain-(5,7,9,11)-en-(3)
3,9-Dihydroxy-8-methoxy-6H-dibenzo[b,d]pyran-6-one
(-)-3,4-dihydro-3-hydroxy-7-methoxy-2H-1,5-benzodithiepine-6,9-dione
Globosuxanthone C
A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy group at positions 1 and 8 and a methoxy group at position 2. It has been isolated from Chaetomium globosum.( Compound class : xanthenone)
1-Methyl-5-methoxy-8-hydroxynaphtho[2,3-c]furan-4,9-dione
Isogentisin
A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 3 and a methoxy group at position 7.
1-Methyl-5-hydroxy-8-methoxynaphtho[2,3-c]furan-4,9-dione
1,4-Dihydroxy-7-methoxy-xanthen-9-on|1,4-dihydroxy-7-methoxy-xanthen-9-one|1,4-dihydroxy-7-methoxyxanthone
STAT3-IN-14
5-hydroxy-2-(1-hydroxyethyl)naphtho[2,3-b]furan-4,9-dione is a naphthofuran that is naphtho[2,3-b]furan-4,9-dione substituted by a hydroxy group at position 5 and a 1-hydroxyethyl group at position 2 (the S stereoisomer). Isolated from Tabebuia impetiginosa and Tabebuia avellanedae, it exhibits antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a naphthofuran, a member of phenols, a secondary alcohol and a member of p-quinones. 5-Hydroxy-2-(1-hydroxyethyl)naphtho[2,3-b]furan-4,9-dione is a natural product found in Handroanthus impetiginosus with data available. A naphthofuran that is naphtho[2,3-b]furan-4,9-dione substituted by a hydroxy group at position 5 and a 1-hydroxyethyl group at position 2 (the S stereoisomer). Isolated from Tabebuia impetiginosa and Tabebuia avellanedae, it exhibits antineoplastic activity.
Fusarindin
Norlichexanthone is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 6 and a methyl group at position 8. It has been isolated from Wardomyces anomalus. It has a role as an antimalarial and a fungal metabolite. It is a member of xanthones and a polyphenol. It is a conjugate acid of a norlichexanthone(1-). Norlichexanthone is a natural product found in Arthrinium, Wardomyces anomalus, and other organisms with data available. A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 6 and a methyl group at position 8. It has been isolated from Wardomyces anomalus.
5,6-Dimethoxynaphtol[2,3-b]furan-4,9-dione
[Raw Data] CB136_5; 6-Dimethoxynaphtol[2,3-b]furan-4; 9-dione_pos_50eV_CB000048.txt [Raw Data] CB136_5; 6-Dimethoxynaphtol[2,3-b]furan-4; 9-dione_pos_40eV_CB000048.txt [Raw Data] CB136_5; 6-Dimethoxynaphtol[2,3-b]furan-4; 9-dione_pos_30eV_CB000048.txt [Raw Data] CB136_5; 6-Dimethoxynaphtol[2,3-b]furan-4; 9-dione_pos_20eV_CB000048.txt [Raw Data] CB136_5; 6-Dimethoxynaphtol[2,3-b]furan-4; 9-dione_pos_10eV_CB000048.txt
Alternariol
A benzochromenone that is 6H-benzo[c]chromen-6-one which is substituted by a methyl group at position 1 and by hydroxy groups at positions 3, 7, and 9. It is the most important mycotoxin produced by the black mould Alternaria species, which are the most common mycoflora infecting small grain cereals worldwide. D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D004791 - Enzyme Inhibitors CONFIDENCE Reference Standard (Level 1)
7-chloro-4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one
3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one
Lofexidine
N - Nervous system > N07 - Other nervous system drugs > N07B - Drugs used in addictive disorders > N07BC - Drugs used in opioid dependence C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents Lofexidine is a selective α2-receptor agonist, commonly used to alleviate the physical symptoms of heroin and other types of opioid withdrawal[1][2].
7-chloro-4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one
7-chloro-4,8-dihydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one_major
2-(4-amino-5-chloro-2-methoxybenzamido)acetic acid
Ethoxzolamide
D004791 - Enzyme Inhibitors > D002257 - Carbonic Anhydrase Inhibitors C471 - Enzyme Inhibitor > C29577 - Carbonic Anhydrase Inhibitor D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic D045283 - Natriuretic Agents > D004232 - Diuretics
2-(3,4-dihydroxyphenyl)-2H-1,3-benzodioxole-5-carbaldehyde
4-methyl-2-(4-methyl-3,5-dioxo-1,2,4-oxadiazolidine-2-carbonyl)-1,2,4-oxadiazolidine-3,5-dione
3-AMINO-6-METHYL-THIENO[2,3-B ]QUINOLINE-2-CARBOXYLIC ACID
C13H10N2O2S (258.04629600000004)
3-AMINO-8-METHYL-THIENO[2,3-B]QUINOLINE-2-CARBOXYLIC ACID
C13H10N2O2S (258.04629600000004)
Methyl 3-((5-bromopyridin-2-yl)amino)propanoate
C9H11BrN2O2 (258.00038459999996)
4-BROMO-2,2-DIMETHYL-3-FLUOROPROPIOPHENONE
C11H12BrFO (258.00554939999995)
PYRIDAZINE, 3-CHLORO-6-[4-(TRIFLUOROMETHYL)PHENYL]-
6-(6-(trifluoromethyl)pyridin-2-yl)-1,3,5-triazine-2,4(1H,3H)-dione
cloridarol
C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
1-METHYL-3-PHENYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID
C13H10N2O2S (258.04629600000004)
Methyl 5-(ethylsulfonyl)-2-methoxybenzoate
C11H14O5S (258.05619140000005)
1,3,5-Trimethoxy-2,4-dinitrobenzene
C9H10N2O7 (258.04879900000003)
(6-PHENYLIMIDAZO[2,1-B][1,3]THIAZOL-3-YL)ACETIC ACID
C13H10N2O2S (258.04629600000004)
4-CYCLOHEXYLBENZENE-1-SULFONYL CHLORIDE
C12H15ClO2S (258.04812400000003)
ETHYL 5-AMINO-6-BROMO-2-METHYLNICOTINATE
C9H11BrN2O2 (258.00038459999996)
3-(BENZO[D][1,3]DIOXOL-5-YL)-5-HYDROXYBENZOIC ACID
5-bromo-2-tert-butyl-pyrimidine-4-carboxylic acid
C9H11BrN2O2 (258.00038459999996)
1-(Phenylsulfonyl)-1H-pyrrolo[3,2-b]pyridine
C13H10N2O2S (258.04629600000004)
6-(3-METHOXY-PHENYL)-IMIDAZO[2,1-B]THIAZOLE-5-CARBALDEHYDE
C13H10N2O2S (258.04629600000004)
3-(4-(METHOXYCARBONYL)PHENYL)PROPANE-1-SULFONIC ACID
C11H14O5S (258.05619140000005)
(4-Phenyl-5-(trifluoromethyl)thiophen-2-yl)Methanol
2-MERCAPTO-4-(TRIFLUOROMETHYL)-5,6,7,8-TETRAHYDROQUINOLINE-3-CARBONITRILE
6-chloro-3-nitroso-2-phenylimidazo[1,2-b]pyridazine
2,6-bis-[2,2,2-trifluoro-eth-(e)-ylidene]-cyclohexanone
2,3-dichloro-6,7-dimethoxyquinoxaline
C10H8Cl2N2O2 (257.99628079999997)
5-[4-FLUORO-3-(TRIFLUOROMETHYL)PHENYL]-2-FURALDEHYDE
Potassium (4-methoxy)benzyloxymethyltrifluoroborate
1-(Phenylsulfonyl)-1H-pyrrolo[2,3-c]pyridine
C13H10N2O2S (258.04629600000004)
1-(benzenesulfonyl)-1H-pyrrolo[3,2-c]pyridine
C13H10N2O2S (258.04629600000004)
5-(2,4-dichlorophenyl)-5-methyl-hydantoi
C10H8Cl2N2O2 (257.99628079999997)
2-IMINO-α-PHENYL-3-THIAZOLIDINEETHANOL HYDROCHLORIDE
7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridine
2-[(6-METHOXY-3-NITRO-2-PYRIDYL)THIO]PROPANOIC ACID
6,7-DICHLORO-5-HYDROXY-2-PROPYL-2,3-DIHYDRO-1H-INDEN-1-ONE
1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
C13H10N2O2S (258.04629600000004)
3-(3,5-Dichlorophenyl)-1-methylhydantoin
C10H8Cl2N2O2 (257.99628079999997)
2-(4-bromophenoxy)propanehydrazide
C9H11BrN2O2 (258.00038459999996)
3-((5-Bromopyridin-2-yl)oxy)-N,N-dimethylpropan-1-amine
6-nitro-1,2,3,4-tetrahydroisoquinoline (hydrobromide)
C9H11BrN2O2 (258.00038459999996)
1,4-Dichloro-6,7-dimethoxyphthalazine
C10H8Cl2N2O2 (257.99628079999997)
5-Brom-3-(4-morpholinyl)-2-pyrazinamin
C8H11BrN4O (258.01161759999997)
2-[(4-Methoxyphenyl)sulfonyl]acetic acid ethyl ester
C11H14O5S (258.05619140000005)
3-(FLUOROMETHYL)-1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE
3,3′-Dichlorobenzidine D6 (ring D6)
C12H4Cl2D6N2 (258.05976306800005)
5-BROMO-N-ISOPROPYL-2-NITROANILINE
C9H11BrN2O2 (258.00038459999996)
3-Amino-5-bromo-2-hydroxy-N,N-dimethylbenzamide
C9H11BrN2O2 (258.00038459999996)
4-(2,2,3,3-tetrafluoropropoxy)benzene-1,2-dicarbonitrile
Triethyl 2-chloro-2-phosphonoacetate
C8H16ClO5P (258.04238460000005)
5-(6-METHYL-1H-BENZOIMIDAZOL-2-YLSULFANYL)-FURAN-2-CARBALDEHYDE
C13H10N2O2S (258.04629600000004)
4-Hydroxy-3-methylsulfanyl-4,5,6,7-tetrahydro-2-benzothiophene-1-carbohydrazide
C10H14N2O2S2 (258.04966640000004)
5-(4-METHYLPHENYL)THIENO[2,3-D]PYRIMIDINE-4(3H)-THIONE
3-METHYL-1-PHENYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID
C13H10N2O2S (258.04629600000004)
3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
2-Cyano-N-(2,4-dichloro-5-methoxyphenyl)acetamide
C10H8Cl2N2O2 (257.99628079999997)
4-Bromo-N-isopropyl-2-nitroaniline
C9H11BrN2O2 (258.00038459999996)
3-(4-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOLE-5-CARBOXYLIC ACID
8-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
3-(METHYLSULFONYL)-6,7-DIHYDROBENZO[C]THIOPHENE-1-CARBOXYLIC ACID
2-(benzo[d]thiazol-2-ylamino)-6-methylpyrimidin-4-ol
2-Chlorobenzene-1,4-Diammonium Sulphate
C6H11ClN2O5S (258.00771860000003)
3-OXO-7-(TRIFLUOROMETHYL)-3,4-DIHYDROQUINOXALINE-2-CARBOXYLIC ACID
5-(3-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOLE-3-CARBOXYLIC ACID
5-(4-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOLE-3-CARBOXYLIC ACID
N-((5-BROMO-3-METHOXY-2H-PYRROL-2-YLIDENE)METHYL)-N-ETHYLETHANAMINE
(S)-2-(2-BROMO-4-FLUOROPHENYL)PIPERAZINE
C10H12BrFN2 (258.01678239999995)
aldehydo-D-glucose 6-phosphate(2-)
C6H11O9P-2 (258.01406860000003)
2-(3,4-Dihydroxyphenyl)-1,3-benzodioxole-5-carboxaldehyde
4-(2-furanylmethyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
8-Hydroxy-2-(1-hydroxyethyl)benzo[f][1]benzofuran-4,9-dione
3,6-Bis(2-furanyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate
C11H14O3S2 (258.03843340000003)
N-(2-methyl-1,3-benzothiazol-6-yl)-2-furancarboxamide
C13H10N2O2S (258.04629600000004)
2-Hydroxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate
C11H14O5S (258.05619140000005)
Diethoxy-thioxo-trimethylsilylsulfanyl-phosphorane
[(2-Amino-alpha-methoxyimino-4-thiazolylacetyl)amino]methylboronic acid
alpha-D-glucose 6-phosphate
Mannose 6-phosphate, also known as mannose 6-phosphoric acid, is a member of the class of compounds known as hexose phosphates. Hexose phosphates are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups. Mannose 6-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). Mannose 6-phosphate can be found in a number of food items such as japanese chestnut, rubus (blackberry, raspberry), allium (onion), and nanking cherry, which makes mannose 6-phosphate a potential biomarker for the consumption of these food products. Mannose 6-phosphate may be a unique E.coli metabolite. The M6P-tagged lysosomal enzymes are shipped to the late endosomes via vesicular transport. Enzyme replacement therapy (ERT) for several lysosomal storage diseases relies on this pathway to efficiently direct synthetic enzymes to the lysosome where each can metabolize its particular substrate. The pH in the late endosome can reach 6.0, which causes dissociation of M6P from its receptor. Upon release, the enzymes are ferried to their final destination in the lysosomes. The MPRs are packed into vesicles that bud off the late endosome and return to the "trans"-Golgi network. In this way, the MPRs can be recycled . Mannose 6-phosphate, also known as mannose 6-phosphoric acid, is a member of the class of compounds known as hexose phosphates. Hexose phosphates are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups. Mannose 6-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). Mannose 6-phosphate can be found in a number of food items such as japanese chestnut, rubus (blackberry, raspberry), allium (onion), and nanking cherry, which makes mannose 6-phosphate a potential biomarker for the consumption of these food products. Mannose 6-phosphate may be a unique E.coli metabolite. The M6P-tagged lysosomal enzymes are shipped to the late endosomes via vesicular transport. Enzyme replacement therapy (ERT) for several lysosomal storage diseases relies on this pathway to efficiently direct synthetic enzymes to the lysosome where each can metabolize its particular substrate. The pH in the late endosome can reach 6.0, which causes dissociation of M6P from its receptor. Upon release, the enzymes are ferried to their final destination in the lysosomes. The MPRs are packed into vesicles that bud off the late endosome and return to the "trans"-Golgi network. In this way, the MPRs can be recycle.
(2,3,4,6-Tetrahydroxy-5-oxohexyl) phosphate
C6H11O9P-2 (258.01406860000003)
D-Glucopyranose 1-phosphate
C6H11O9P-2 (258.01406860000003)
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D-galactosamine 6-phosphate(1-)
An organophosphate oxoanion that is the conjugate base of D-galactosamine 6-phosphate, obtained by deprotonation of the phosphate OH groups and protonation of the 2-amino group. Major structure at pH 7.3.
alpha-D-galactose 1-phosphate(2-)
C6H11O9P-2 (258.01406860000003)
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beta-D-fructofuranose 6-phosphate(2-)
C6H11O9P-2 (258.01406860000003)
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2-ammonio-2-deoxy-1-O-phosphonato-alpha-D-glucopyranose
D-glucopyranose 6-phosphate
C6H11O9P-2 (258.01406860000003)
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alpha-D-mannose 1-phosphate(2-)
C6H11O9P-2 (258.01406860000003)
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(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
C6H11O9P-2 (258.01406860000003)
S-methyl-5-thio-alpha-D-ribose 1-phosphate(2-)
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2-ammonio-2-deoxy-D-glucopyranose 6-phosphate(1-)
An organophosphate oxoanion that is the conjugate base of 2-amino-2-deoxy-D-glucopyranose 6-phosphate. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Sn-glycero-3-phosphoserine(1-)
A glycerol 1-phosphoserine(1-) in which the glycero portion has R-configuration and the serine moiety has L-configuration.
D-Mannose 6-phosphate
C6H11O9P-2 (258.01406860000003)
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D-fructofuranose 1-phosphate(2-)
C6H11O9P-2 (258.01406860000003)
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beta-D-fructofuranose 2-phosphate(2-)
C6H11O9P-2 (258.01406860000003)
[(3R,4S,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl] phosphate
C6H11O9P-2 (258.01406860000003)
alpha-D-fructofuranose 1-phosphate
C6H11O9P-2 (258.01406860000003)
alpha-D-fructofuranose 6-phosphate
C6H11O9P-2 (258.01406860000003)
alpha-D-fructopyranose 1-phosphate
C6H11O9P-2 (258.01406860000003)
[2,4,5-Trihydroxy-3-(hydroxymethyl)tetrahydropyran-3-yl] oxyphosphonic acid
C6H11O9P-2 (258.01406860000003)
[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl] phosphate
C6H11O9P-2 (258.01406860000003)
[(3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl phosphate
C6H11O9P-2 (258.01406860000003)
[(2S,3S,4R,5S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl phosphate
C6H11O9P-2 (258.01406860000003)
[(2S,3S,4R,6S)-6-(dihydroxymethyl)-3,4-dihydroxyoxan-2-yl]methylphosphonic acid
[(3S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-oxooxan-2-yl] dihydrogen phosphate
[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl phosphate
C6H11O9P-2 (258.01406860000003)
1-Ethyl-3-(4-methylphenyl)sulfonylthiourea
C10H14N2O2S2 (258.04966640000004)
Glycerol 1-phosphoserine(1-)
A organophosphate oxoanion that is the conjugate base of glycerol 1-phosphoserine; major species at pH 7.3.
3-Methyl-7,9,10-trihydroxy-1H-naphtho[2,3-c]pyran-1-one
5-methyl-6-phenyl-3H-thieno[2,3-d]pyrimidine-4-thione
D-arabino-hex-3-ulose 6-phosphate(2-)
C6H11O9P-2 (258.01406860000003)
alpha-D-tagatopyranose 1-phosphate
C6H11O9P-2 (258.01406860000003)
(5Z)-3-ethyl-5-(morpholin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
C10H14N2O2S2 (258.04966640000004)
alpha-D-hexose 1-phosphate dianion
C6H11O9P-2 (258.01406860000003)
2-[[(2R)-3-sulfanyl-2-(sulfoamino)propanoyl]amino]acetic acid
C5H10N2O6S2 (257.99802800000003)
[(2R,3R,4S,5R)-3,4,5-trihydroxy-6-oxooxan-2-yl]methyl dihydrogen phosphate
[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-oxooxan-2-yl]methyl hydrogen sulfate
Norrubrofusarin
A member of the class of benzochromenones that is 4H-benzo[g]chromen-4-one carrying a methyl group at position 2 and a hydroxy group at positions 5, 6 and 8, respectively.
S-methyl-5-thio-D-ribulose 1-phosphate(2-)
Dianion of S-methyl-5-thio-D-ribulose 1-phosphate.
D-glucopyranose 1-phosphate(2-)
An organophosphate oxoanion that is the dianion of D-glucopyranose 1-phosphate arising from deprotonation of both phosphate OH groups.
alpha-D-glucose 1-phosphate(2-)
An organophosphate oxoanion that is the dianion of alpha-D-glucose 1-phosphate, obtained by deprotonation of the phosphate OH groups.
alpha-D-glucosamine 1-phosphate(1-)
Conjugate base of alpha-D-glucosamine 1-phosphate.
D-fructose 6-phosphate(2-)
An organophosphate oxoanion arising from deprotonation of both phosphate OH groups of D-fructose 6-phosphate.
alpha-D-glucosamine 6-phosphate(1-)
A 2-ammonio-2-deoxy-D-glucopyranose 6-phosphate in which the anomeric centre has alpha-configuration.
beta-D-glucose 1-phosphate(2-)
An organophosphate oxoanion that is the dianion of beta-D-glucose 1-phosphate arising from deprotonation of both phosphate OH groups.
D-tagatofuranose 6-phosphate(2-)
An organophosphate oxoanion that is the dianion of D-tagatofuranose 6-phosphate.
1D-myo-inositol 1-phosphate(2-)
An organophosphate oxoanion that is the dianion of 1D-myo-inositol 1-phosphate.
S-methyl-5-thio-alpha-D-ribose 1-phosphate(2-)
Dianion of S-methyl-5-thio-alpha-D-ribose 1-phosphate.
keto-D-tagatose 6-phosphate(2-)
An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of keto-D-tagatose 6-phosphate; major species at pH 7.3.
aldehydo-D-galactose 6-phosphate(2-)
An doubly-charged organophosphate oxoanion arising from deprotonation of the phosphate OH groups of aldehydo-D-galactose 6-phosphate; major species at pH 7.3.
6-deoxy-6-sulfo-D-gluconate(2-)
A carbohydrate acid derivative anion obtained by deprotonation of the carboxy and sulfo groups of 6-deoxy-6-sulfo-D-gluconic acid; major species at pH 7.3.
D-fructofuranose 1-phosphate(2-)
An organophosphate oxoanion that is the dianion of D-fructofuranose 1-phosphate.
D-fructofuranose 6-phosphate(2-)
An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of D-fructofuranose 6-phosphate; major species at pH 7.3.
D-galactopyranose 6-phosphate(2-)
A D-glucopyranose 6-phosphate(2-) resulting from deprotonation of the phosphate OH groups of D-galactopyranose 6-phosphate; major species at pH 7.3.
alpha-L-galactose 1-phosphate(2-)
Dianion of alpha-L-galactose 1-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.
L-tagatofuranose 6-phosphate(2-)
An organophosphate oxoanion that is the dianion of L-tagatofuranose 6-phosphate arising from deprotonation of both OH groups of the phosphate.
1D-myo-inositol 3-phosphate(2-)
The dianion of 1D-myo-inositol 3-phosphate.
alpha-D-mannose 1-phosphate(2-)
An organophosphate oxoanion that is the dianion of alpha-D-mannose 1-phosphate.
1D-myo-inositol 4-phosphate(2-)
Dianion of 1D-myo-inositol 4-phosphate.
D-mannopyranose 6-phosphate(2-)
A D-hexopyranose 6-phosphate(2-) that is the dianion of D-mannopyranose 6-phosphate arising from deprotonation of the phosphate function.
1D-myo-inositol 6-phosphate(2-)
A organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 1D-myo-inositol 6-phosphate.
8-hydroxy-2-(1-hydroxyethyl)naphtho-[2,3-b]-furan-4,9-dione
A naphthofuran that is naphtho[2,3-b]furan-4,9-dione substituted by a hydroxy group at position 8 and a 1-hydroxyethyl group at position 2. Isolated from Tabebuia impetiginosa and Kigelia pinnata, it exhibits antineoplastic activity.
keto-L-tagatose 6-phosphate(2-)
An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of keto-L-tagatose 6-phosphate; major species at pH 7.3.
alpha-D-mannose 6-phosphate(2-)
Dianion of alpha-D-mannose 6-phosphate; major species at pH 7.3.
L-sorbose 1-phosphate(2-)
An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of L-sorbose 1-phosphate. Major microspecies at pH 7.3
alpha-D-glucose 6-phosphate(2-)
A D-glucopyranose 6-phosphate(2-) obtaned by deprotonation of the phosphate OH groups of alpha-D-glucose 6-phosphate; major species at pH 7.3.
beta-D-glucose 6-phosphate(2-)
A doubly-charged organophosphate oxoanion arising from deprotonation of the phosphate OH groups of beta-D-glucose 6-phosphate; major species at pH 7.3.
1-(Methylthio)ribulose 5-phosphate(2-)
An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 1-(methylthio)ribulose 5-phosphate; major species at pH 7.3.
2-Dehydro-3-deoxy-6-phospho-D-gluconic acid
The 5-phospho derivative of 2-dehydro-D-gluconic acid.
beta-D-fructofuranose 6-phosphate(2-)
An organophosphate oxoanion that is the dianion of beta-D-fructofuranose 6-phosphate arising from deprotonation of the phosphate OH groups.
aldehydo-D-glucose 6-phosphate(2-)
Dianion of aldehydo-D-glucose 6-phosphate arising from deprotonation of the two OH groups of the phosphate.
L-galactose 1-phosphate(2-)
An organophosphate oxoanion that is the dianion of L-galactose 1-phosphate arising from deprotonation of both OH groups of the phosphate.
6-O-phosphono-D-glucono-1,5-lactone
An aldonolactone phosphate comprising D-glucono-1,5-lactone having the phosphate group at the 6-position.
D-glucopyranose 6-phosphate(2-)
An organophosphate oxoanion resulting from deprotonation of the phosphate OH groups of D-glucopyranose 6-phosphate; major species at pH 7.3.
D-allose 6-phosphate(2-)
An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of D-allose 6-phosphate; major species at pH 7.3.
alpha-D-galactose 1-phosphate(2-)
An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of alpha-D-galactose 1-phosphate; major species at pH 7.3.
beta-D-fructofuranose 1-phosphate(2-)
a D-fructofuranose 1-phosphate(2-) obtained by deprotonation of the phosphate OH groups of beta-D-fructofuranose 1-phosphate; major species at pH 7.3.
nor-toralactone
A naphtho-gamma-pyrone that is 1H-benzo[g]isochromen-1-one substituted by a methyl group at position 3 and hydroxy groups at positions 7, 9 and 10.
beta-L-galactose 1-phosphate(2-)
A L-galactose 1-phosphate(2-) in which the anomeric center has beta-configuration.
Zileuton (sodium)
Zileuton sodium (A 64077 sodium) is a potent and selective inhibitor of 5-lipoxygenase, exhibiting inflammatory activities.
5-hydroxy-2-[(1r)-1-hydroxyethyl]naphtho[2,3-b]furan-4,9-dione
8-hydroxy-2-(1-hydroxyethyl)naphtho[2,3-b]furan-4,9-dione
3-hydroxy-7-methoxy-3,4-dihydro-2h-1,5-benzodithiepine-6,9-dione
(9r)-3-acetyl-5,9-dihydroxy-9h-naphtho[2,3-c]furan-4-one
(9s)-3-acetyl-5,9-dihydroxy-9h-naphtho[2,3-c]furan-4-one
2-amino-1-(methylsulfanyl)phenoxazin-3-one
C13H10N2O2S (258.04629600000004)
1,3-dihydroxy-2-methoxy xanthone
{"Ingredient_id": "HBIN001184","Ingredient_name": "1,3-dihydroxy-2-methoxy xanthone","Alias": "NA","Ingredient_formula": "C14H10O5","Ingredient_Smile": "COC1=C(C=C2C(=C1O)C(=O)C3=CC=CC=C3O2)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15120","TCMID_id": "6008","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,5,8-trihydroxy-3-methoxy xanthones
{"Ingredient_id": "HBIN001596","Ingredient_name": "1,5,8-trihydroxy-3-methoxy xanthones","Alias": "NA","Ingredient_formula": "C14H10O5","Ingredient_Smile": "CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=CC(=C3O2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "43026","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,4,7- Trihydroxy-5-Methyl fluorenone
{"Ingredient_id": "HBIN004265","Ingredient_name": "2,4,7- Trihydroxy-5-Methyl fluorenone","Alias": "NA","Ingredient_formula": "C14H10O5","Ingredient_Smile": "COC1=C2C(=CC(=C1)O)C(=O)C3=CC(=CC(=C32)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42553","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,7-dihydroxy-1-methoxyxanthone
{"Ingredient_id": "HBIN005006","Ingredient_name": "2,7-dihydroxy-1-methoxyxanthone","Alias": "NA","Ingredient_formula": "C14H10O5","Ingredient_Smile": "COC1=C(C=CC2=C1C(=O)C3=C(O2)C=CC(=C3)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6012","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}