Exact Mass: 290.0217
Exact Mass Matches: 290.0217
Found 367 metabolites which its exact mass value is equals to given mass value 290.0217,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Sedoheptulose 7-phosphate
KEIO_ID S083
Tetraethyl pyrophosphate
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
Isoprothiolane
Isoprothiolane is an Agricultural fungicide for rice crop
Sedoheptulose 1-phosphate
This compound belongs to the family of Monosaccharide Phosphates. These are monosaccharides comprising a phosphated group linked tot he carbohydrate unit.
D-glycero-D-manno-Heptose 7-phosphate
D-glycero-D-manno-heptose in which the hydrogen of the primary hydroxy group is substituted by a dihydrogen phosphate group.
D-glycero-D-manno-Heptose 1-phosphate
S-(5-histidyl)cysteine sulfoxide
A L-cysteine derivative that is L-cysteine sulfoxide in which the hydrogen attached to sulfur is replaced by a 5-L-histidyl group.
D-Glycero-D-mannopyranose-7-phosphate
The 1-alpha-anomer of D-glycero-D-manno-heptose 7-phosphate.
(2R,3S,4S,5S,6R)-6-((R)-1,2-dihydroxyethyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen phosphate
2-(4-Hydroxyphenyl)naphthalic anhydride
2-(4-Hydroxyphenyl)naphthalic anhydride is found in fruits. 2-(4-Hydroxyphenyl)naphthalic anhydride is isolated from the unripe banana fruit (Musa acuminata) infected with Colletotrichum musae. Isolated from the unripe banana fruit (Musa acuminata) infected with Colletotrichum musae. 2-(4-Hydroxyphenyl)naphthalic anhydride is found in fruits.
1-[4,9-Dihydro-2-(methylthio)-1,3-thiazino[6,5-b]indol-4-yl]-2-propanone
1-[4,9-Dihydro-2-(methylthio)-1,3-thiazino[6,5-b]indol-4-yl]-2-propanone is found in brassicas. 1-[4,9-Dihydro-2-(methylthio)-1,3-thiazino[6,5-b]indol-4-yl]-2-propanone is isolated from Chinese cabbage (Brassica campestris ssp. pekinensis, Cruciferae) inoculated with the bacterium Pseudomonas cichorii. Isolated from Chinese cabbage (Brassica campestris sspecies pekinensis, Cruciferae) inoculated with the bacterium Pseudomonas cichorii. 1-[4,9-Dihydro-2-(methylthio)-1,3-thiazino[6,5-b]indol-4-yl]-2-propanone is found in brassicas.
5-(4-Acetoxy-3-oxo-1-butynyl)-2,2'-bithiophene
5-(4-Acetoxy-3-oxo-1-butynyl)-2,2-bithiophene is isolated from Tagetes erecta (African marigold). Isolated from Tagetes erecta (African marigold)
4-Hydroxy-5-(3'-hydroxyphenyl)-valeric acid-3'-O-sulphate
4-Hydroxy-5-(3-hydroxyphenyl)-valeric acid-3-O-sulphate belongs to the family of Sulfated Fatty Acids. These are fatty acids containing linked to a sulfate group linked to its tail.
4-Hydroxy-5-(4'-hydroxyphenyl)-valeric acid-4'-O-sulphate
4-Hydroxy-5-(4-hydroxyphenyl)-valeric acid-4-O-sulphate belongs to the family of Tyrosols and Derivatives. These are compounds containing an hydroxyethyl group atached to the C4 carbon of a phenol group.
Dedimethylchlorpromazine
Dedimethylchlorpromazine is a metabolite of chlorpromazine. Chlorpromazine (as chlorpromazine hydrochloride, abbreviated CPZ; marketed in the United States as Thorazine and elsewhere as Largactil) is a typical antipsychotic. First synthesized on December 11, 1950, chlorpromazine was the first drug developed with specific antipsychotic action, and would serve as the prototype for the phenothiazine class of drugs, which later grew to comprise several other agents. (Wikipedia)
1H-Pyrrole-2,5-dione, 1-[4-(2-benzoxazolyl)phenyl]-
5-(2-Chloroethyl)-2'-deoxyuridine
Hepsulfam
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents
Sultiame
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics
Apigeninidin
Apigeninidin is a member of the class of compounds known as 7-hydroxyflavonoids. 7-hydroxyflavonoids are flavonoids that bear one hydroxyl group at the C-7 position of the flavonoid skeleton. Apigeninidin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Apigeninidin can be found in sorghum, which makes apigeninidin a potential biomarker for the consumption of this food product. Apigeninidin (Also, apigenidin, or Gesneridin) is a chemical compound belonging to the 3-deoxyanthocyanidins and that can be found in the Patagonian plant Ephedra frustillata and in the soybean. Apigeninidin is one of the principal pigments found in sorghum. Extremely high level of apigeninidin (49 mg/g) has been documented in sorghum leaf sheath. Like all anthocyanidins it exists in a variety of tautomers depending on pH and hydration, several of these bare the distinctive pyrylium core .
Methylarctate B
Methylarctate b, also known as methylarctic acid b, is a member of the class of compounds known as bi- and oligothiophenes. Bi- and oligothiophenes are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms. Methylarctate b is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Methylarctate b can be found in burdock, which makes methylarctate b a potential biomarker for the consumption of this food product.
sultiame
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu)
2-(pent-1,3-diynyl)-5-(4-acetoxy-3-chlorobut-1-ynyl)thiophene|2-<4-Acetoxy-3-chlor-butin-(1)-yl>-5--thiophen|2--5-<3-chlor-4-acetoxy-butin-(1)-yl>-thiophen|2-Chloro,Ac-4-[5-(1,3-Pentadiynyl)-7-thienyl]-3-butyn-1-ol|4-acetoxy-3-chloro-1-(5-penta-1,3-diynyl-thiophen-2-yl)-but-1-yne
Me ester-Aipha-Oxo-5-(1-propynyl)[2,2-bithiophene]-5-acetic acid|methyl arctate-b
5-methyl-[5-(4-acetoxy-1-butynyl)]-2,2-bithiophene|5-(4-Acetoxy-1-butynyl)-5-methyl-2,2-bithiophene
1,3,7,8-tetrahydroxy-2-methoxy-9H-xanthen-9-one|1,3,7,8-tetrahydroxy-2-methoxyxanthone|rhodanthenone B
(1R,3R,5R,7S,8R,9S)-1,5-dihydroxy-3,8-epoxyvalechlorine|(1S,3R,5R,7S,8S,9S)-3,8-epoxy-1,5-dihydroxyvalechlorine|1,5-dihydroxy-3,8-epoxyvalechlorine
5-bromo-8-methoxy-1-methyl-beta-carboline
A member of the class of beta-carboline that is 9H-beta-carboline substituted by bromo, methoxy and a methyl group at positions 5, 8 and 1 respectively. It is isolated from a marine bryozoan Pterocella vesiculosa and has been found to exhibit moderate antitumour activity against the P388 murine leukemia cell line. Additionally it shows antimicrobial activity towards the Gram-positive bacterium Bacillus subtilis and the fungi Candida albicans and Trichophyton mentagrophytes.
Di-Ph ester-(2RS,3SR)-(3-Methyloxiranyl)phosphonic acid
10,11-Dihydro-1-methyl-10,11-dioxophenanthro[1,2-b]furan-6-carbaldehyde
2-(2-acetoxyethyl)-5-prop-1-inyl-dithienyl|2-<2-acetoxyethyl>-5-prop-1-inyl-dithienyl
1-Methyl-5,6,8-trihydroxy 3-methoxynaphtho[2,3-c]furan-4,9-dione
Isoprothiolane
CASMI2013 Challenge_5 MS2 data; [MS1] MSJ00009 CASMI2013 Challenge_5 MS1 data; [MS2] MSJ000010
Guanabenz acetate
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents Guanabenz (Acetate) (BR-750) is an alpha-2 selective adrenergic agonist used as an antihypertensive agent.
(4S)-(3,4-Dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one
1-[2-(methylsulfanyl)-4H,9H-[1,3]thiazino[6,5-b]indol-4-yl]propan-2-one
2-(4-hydroxyphenyl)naphthalic anhydride
5-(4-Chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid
2-Naphthalenesulfonicacid, 5-amino-6-ethoxy-, sodium salt (1:1)
1H-Indole-3-carboxaldehyde,2-(3-pyridinyl)-5-(trifluoromethyl)-(9CI)
4-[(4-CHLOROPHENYL)SULFANYL]-3-NITROBENZENECARBONITRILE
2-chloro-4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyrimidine
(7-BROMO-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)(4-CHLOROPHENYL)METHANONE
DIMETHYL 1-(2-BROMOETHYL)-1H-PYRAZOLE-3,5-DICARBOXYLATE
3-(2,4-DIFLUORO-PHENYL)-2-MERCAPTO-3H-QUINAZOLIN-4-ONE
3-CHLORO-3-(METHOXYCARBONYL)-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
4-CHLORO-3-(METHOXYCARBONYL)-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
(4-chloro-benzyl)-pyridin-4-yl-amine dihydrochloride
N-[(2-chlorophenyl)methyl]pyridin-3-amine,dihydrochloride
(3-CHLORO-BENZYL)-PYRIDIN-4-YL-AMINE DIHYDROCHLORIDE
4-chloro-6-methyl-5-nitro-2-(trifluoromethyl)quinoline
4-PHENYL-5-(TRIFLUOROMETHYL)-2-THIOPHENECARBONYL CHLORIDE
12-Oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxylic acid
6-CHLORO-2-(4-CHLOROPHENYL)IMIDAZO[1,2-A]-PYRIDINE-3-CARBALDEHYDE
1H-Pyrrolo[2,3-b]pyridine, 5-fluoro-1-[(4-methylphenyl)sulfonyl]-
Zoledronic acid hydrate
C78275 - Agent Affecting Blood or Body Fluid > C2136 - Malignancy-Associated Hypercalcemia Inhibitor C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates
1-(4-Bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
2-(2-Bromo-4-pyridinyl)-1-(6-methyl-2-pyridinyl)ethanone
1-(3-CHLOROPHENYL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
7-Hydroxy-1H-pyrrolo[2,3-b]pyridinium 3-chlorobenzoate
N-[(2-chlorophenyl)methyl]pyridin-4-amine,dihydrochloride
TERT-BUTYL (5-CHLORO-4-FLUORO-2-NITROPHENYL)CARBAMATE
2-(4,5-dichloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
(4-CHLORO-BENZYL)-PYRIDIN-3-YL-AMINE DIHYDROCHLORIDE
(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxopyridin-3-yl)methanesulfonic acid
5-BROMO-3-(1-METHYL-1,2,3,6-TETRAHYDRO-PYRIDIN-4-YL)-1H-INDOLE
Ethanimidamide, N-(4-bromo-2,6-difluorophenyl)-N-(1-Methylethyl)-
[2-(Benzothiazol-2-ylamino)-5-oxo-4,5-dihydro-3H-imidazol-4-yl]-acetic acid
2-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid
1-(1-BENZYL-5-NITRO-1H-IMIDAZOL-4-YL)-2-NITROETHANONE
4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone
2-(4-Amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile
(R)-1-(4-Chloro-2-(3-Methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethanol
5-(3-CHLOROPHENYL)-2-(TRIFLUOROMETHYL)-3-FUROIC ACID
2-(1-Chloroethyl)-3-phenylthieno[3,2-d]pyriMidin-4(3h)-one
Ethyl 5-amino-1-(3-chlorophenyl)-4-cyano-1H-pyrazole-3-carboxylate
Ethyl 5-amino-1-(4-chlorophenyl)-4-cyano-1H-pyrazole-3-carboxylate
5-(2-CHLOROPHENYL)-2-(TRIFLUOROMETHYL)-3-FUROIC ACID
1-(Piperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one dihydrochloride
Ethyl 5-amino-1-(2-chlorophenyl)-4-cyano-1H-pyrazole-3-carboxylate
2-(3,5-DICHLORO-4-FLUOROPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
3-(4-Chloro-5,8-dimethyl-2-quinolinyl)-1,2,4-thiadiazol-5-amine
2-(4-methoxy-3-phenylmethoxyphenyl)acetyl chloride
3-benzyl-7-bromo-3-azabicyclo[2.2.1]heptane-5-carbonitrile
1-(6-CHLORO-5-NITRO-4-PYRIMIDINYL)-1,2,3,4-TETRAHYDROQUINOLINE
1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl chloride
D-Sedoheptulose 7-phosphate
D-Sedoheptulose 7-phosphate (CAS: 2646-35-7) is an intermediate of the pentose phosphate pathway (PPP) that has two functions: (1) the generation of NADPH for reductive syntheses and oxidative stress responses within cells, and (2) the formation of ribose residues for nucleotide and nucleic acid biosynthesis (PMID: 16055050). It is formed by transketolase and acted upon (degraded) by transaldolase. Sedoheptulose 7-phosphate can be increased in the blood of patients affected with a transaldolase deficiency, a genetic disorder (PMID: 12881455). Sedoheptulose is a ketoheptose, a monosaccharide with seven carbon atoms and a ketone functional group. It is one of the few heptoses found in nature (Wikipedia). D-Sedoheptulose 7-phosphate is an intermediate of the Pentose phosphate pathway (PPP) that has two functions: the generation of NADPH for reductive syntheses and oxidative stress responses within cells, and the formation of ribose residues for nucleotide and nucleic acid biosynthesis. (PMID 16055050)
5-(2-Chloroethyl)-2-deoxyuridine
D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-3-pyridinecarboxamide
4,5-Dichloro-1-[2-(4-chlorophenoxy)ethyl]imidazole
2,3,5-Trihydroxy-4-phosphonooxyadipic acid
An alpha,omega-dicarboxylic acid and phosphate monoester that is adipic acid with a phosphate group at position 4 and hydroxy groups at positions 2, 3, and 5.
(2S)-2-amino-5-[[amino-(sulfoamino)phosphoryl]amino]pentanoic acid
2-{6[(2Amino-2-carboxyethyl)-sulfanyl]1-hydroxycyclohex-2-en1yl}-acetate
6-Bromoharmine
A member of the class of beta-carbolines that is 9H-beta-carboline substituted by a bromo group at position 6, a methoxy group at position 7 and a methyl group at position 1. It is semisynthetic derivative of harmine and has been shown to exhibit significant anti-HIV activity.
({[(1R,2R)-2-(uracil-1-yl)cyclopentyl]oxy}methyl)phosphonic acid
6-amino-5-cyano-4-(2-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carboxamide
(2S,4S)-4,8-dihydroxy-7,10-dioxo-1,2,3,4,7,10-hexahydrobenzo[c][1,5]naphthyridine-2-carboxylic acid
2-(3-chlorophenyl)-3,4-dimethyl-6H-pyrazolo[3,4-d]pyridazine-7-thione
2-[(3-cyano-6-methyl-2-pyridinyl)thio]-N-(2-thiazolyl)acetamide
[[2-[(4,5-dimethyl-2-thiazolyl)amino]-2-oxoethyl]thio]methanethioic acid O-ethyl ester
2-[2-Bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid
N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-furancarboxamide
5-Phenyl-2-[4-(triluoromethyl)pyridin-3-yl]-1,3-oxazole
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-nitrothiophen-2-yl)methanimine
N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-6-carboxamide
1-[3-(4-Nitrophenyl)-5,6-dihydroimidazo[2,1-b]thiazol-7-ium-7-yl]ethanone
1-Ethyl-6-methyl-2-(4-chlorophenyl)-4-oxonicotinate
6,8-difluoro-4-methyl-2-oxo-2H-chromen-7-yl phosphate
3-(3-Methoxy-4-sulooxyphenyl)oxirane-2-carboxylic acid
{[(2R,3S,4R,5S)-3,4,5,6-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy}phosphonic acid
Tetraethyl pyrophosphate
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
Sedoheptulose 7-phosphate
A ketoheptose phosphate consisting of sedoheptulose having a phosphate group at the 7-position. It is an intermediate metabolite in the pentose phosphate pathway.
7-O-phosphono-D-glycero-beta-D-manno-heptopyranose
4-Hydroxy-5-(4-hydroxyphenyl)-valeric acid-4-O-sulphate
4-Hydroxy-5-(3-hydroxyphenyl)-valeric acid-3-O-sulphate
fumisoquin C
An isoquinoline alkaloid produced by a biosynthetic gene cluster called fsq in the human pathogen Aspergillus fumigatus.
D-glycero-beta-D-manno-heptose 7-phosphate
The 1-beta-anomer of D-glycero-D-manno-heptose 7-phosphate.
S-(5-histidyl)cysteine sulfoxide dizwitterion
An L-alpha-amino acid zwitterion formed from S-(5-histidyl)cysteine sulfoxide by transfer of protons from the two carboxy to the two amino grousp; major species at pH 7.3.
4'-Bromo-resveratrol
4'-Bromo-resveratrol is a potent and dual inhibitor Sirtuin-1 and Sirtuin-3. 4'-Bromo-resveratrol inhibits melanoma cell growth through mitochondrial metabolic reprogramming. 4'-Bromo-resveratrol imparts antiproliferative effects in melanoma cells through a metabolic reprogramming and affecting the cell cycle and apoptosis signaling[1].
AKB-6899
AKB-6899, a prolyl hydroxylase domain 3 (PHD3) inhibitor, is a selective HIF-2α stabilizer. AKB-6899 also increases soluble form of the VEGF receptor (sVEGFR-1) production from GM-CSF-treated macrophages, and has antitumor and antiangiogenic effects[1].
Nicotinamide riboside (chloride)
Nicotinamide riboside Chloride, an orally active NAD+ precursor, increases NAD+ levels and activates SIRT1 and SIRT3. Nicotinamide riboside Chloride is a source of vitamin B3 (niacin) and enhances oxidative metabolism, protection against high fat diet-induced metabolic abnormalities[1]. Nicotinamide riboside Chloride reduces cognitive deterioration in a transgenic mouse model of Alzheimer’s disease[2]. Nicotinamide riboside Chloride, an orally active NAD+ precursor, increases NAD+ levels and activates SIRT1 and SIRT3. Nicotinamide riboside Chloride is a source of vitamin B3 (niacin) and enhances oxidative metabolism, protection against high fat diet-induced metabolic abnormalities[1]. Nicotinamide riboside Chloride reduces cognitive deterioration in a transgenic mouse model of Alzheimer’s disease[2].
2-chloro-1,3,8-trihydroxy-6-methyl-10h-anthracen-9-one
5,7,8-trihydroxy-6-methoxy-1-methylnaphtho[2,3-c]furan-4,9-dione
4,6,9-trihydroxy-3-methoxy-1-methylnaphtho[2,3-c]furan-5,8-dione
1-[(4s)-2-(methylsulfanyl)-4h,9h-[1,3]thiazino[6,5-b]indol-4-yl]propan-2-one
7,8-dihydroxy-3-methyl-10-oxo-1h-pyrano[4,3-b]chromene-6-carboxylic acid
4,10-dihydroxy-7,8-dioxo-1h,2h,3h,4h-cyclohexa[c]1,5-naphthyridine-2-carboxylic acid
2-chloro-4-[5-(penta-1,3-diyn-1-yl)thiophen-2-yl]but-3-yn-1-yl acetate
4,6,9-trihydroxy-7-methoxy-1-methylnaphtho[2,3-c]furan-5,8-dione
1-chloro-4-[5-(1,3-pentadiynyl)-2-thienyl]-3-butyn-2-ol
{"Ingredient_id": "HBIN002445","Ingredient_name": "1-chloro-4-[5-(1,3-pentadiynyl)-2-thienyl]-3-butyn-2-ol","Alias": "NA","Ingredient_formula": "C15H11ClO2S","Ingredient_Smile": "NA","Ingredient_weight": "290.76","OB_score": "NA","CAS_id": "26905-69-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9229","PubChem_id": "NA","DrugBank_id": "NA"}
