Exact Mass: 232.1018712
Exact Mass Matches: 232.1018712
Found 324 metabolites which its exact mass value is equals to given mass value 232.1018712,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
N2-Succinyl-L-ornithine
N2-Succinyl-L-ornithine is a substrate for Ornithine aminotransferase (mitochondrial). It can be found in Escherichia (UniProt). N2-Succinyl-L-ornithine is a substrate for Ornithine aminotransferase (mitochondrial). [HMDB]
Cryptolepine
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents
4-(Glutamylamino) butanoate
4-(Glutamylamino) butanoate is a polyamine that is an intermediate in putrescine degradation II. Polyamines (the most common of which are putrescine , spermidine , and spermine ), a group of positively charged small molecules present in virtually all living organisms, have been implicated in many biological processes, including binding to nucleic acids, stabilizing membranes, and stimulating several enzymes. Although polyamines are clearly necessary for optimal cell growth, a surplus of polyamines can cause inhibition of growth and protein synthesis, and thus a balance is desired between the production and breakdown of polyamines. In putrescine degradation II, 4-(Glutamylamino) butanoate is a substrate for gamma-glutamyl-gamma-aminobutyrate hydrolase (puuD) and can be generated from the hydrolysis of gamma-glutamyl-gamma-aminobutyraldehyde. [HMDB] 4-(Glutamylamino) butanoate is a polyamine that is an intermediate in putrescine degradation II. Polyamines (the most common of which are putrescine , spermidine , and spermine ), a group of positively charged small molecules present in virtually all living organisms, have been implicated in many biological processes, including binding to nucleic acids, stabilizing membranes, and stimulating several enzymes. Although polyamines are clearly necessary for optimal cell growth, a surplus of polyamines can cause inhibition of growth and protein synthesis, and thus a balance is desired between the production and breakdown of polyamines. In putrescine degradation II, 4-(Glutamylamino) butanoate is a substrate for gamma-glutamyl-gamma-aminobutyrate hydrolase (puuD) and can be generated from the hydrolysis of gamma-glutamyl-gamma-aminobutyraldehyde.
Marindinin
Marindinin is found in beverages. Marindinin is found in the roots of kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002 Dihydrokavain is one of the six major kavalactones found in the kava plant; appears to contribute significantly to the anxiolytic effects of kava, based on a study in chicks. Dihydrokavain is one of the six major kavalactones found in the kava plant; appears to contribute significantly to the anxiolytic effects of kava, based on a study in chicks.
3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
Pterosin E
Constituent of Pteridium aquilinum (bracken fern) leaves. Pterosin E is found in green vegetables and root vegetables. Pterosin E is found in green vegetables. Pterosin E is a constituent of Pteridium aquilinum (bracken fern) leaves.
Valylaspartic acid
Valylaspartic acid is a dipeptide composed of valine and aspartic acid. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Aspartyl-Valine
Aspartyl-Valine is a dipeptide composed of aspartate and valine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Hydroxyprolyl-Threonine
Hydroxyprolyl-Threonine is a dipeptide composed of hydroxyproline and threonine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Threonylhydroxyproline
Threonylhydroxyproline is a dipeptide composed of threonine and hydroxyproline. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
L-N-(3-Carboxypropyl)glutamine
L-N-(3-Carboxypropyl)glutamine is found in root vegetables. L-N-(3-Carboxypropyl)glutamine is a constituent of beet
Glycerol 1-propanoate diacetate
Glycerol 1-propanoate diacetate is classified as a Natural Food Constituent (code WA) in the DFC
Tetrahydrofurfuryl cinnamate
Tetrahydrofurfuryl cinnamate is a flavouring agent with sweet vinous odou Flavouring agent with sweet vinous odour
gamma-Glutamyl-2-aminobutyric acid
gamma-Glutamyl-2-aminobutyric acid, also known as gamma-Glu-Abu, belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. gamma-Glutamyl-2-aminobutyric acid has been identified in blood (PMID: 28059425).
Marindinin
Dihydrokavain is a member of 2-pyranones and an aromatic ether. Dihydrokawain is a natural product found in Piper methysticum, Alnus sieboldiana, and other organisms with data available. See also: Piper methysticum root (part of). Dihydrokavain is one of the six major kavalactones found in the kava plant; appears to contribute significantly to the anxiolytic effects of kava, based on a study in chicks. Dihydrokavain is one of the six major kavalactones found in the kava plant; appears to contribute significantly to the anxiolytic effects of kava, based on a study in chicks.
2HP328XN7C
Fraxinellone is a member of 2-benzofurans. Fraxinellone is a natural product found in Raulinoa echinata, Melia azedarach, and other organisms with data available. Fraxinellone is isolated from the root bark of the Rutaceae plant, Dictamnus dasycarpus. Fraxinellone is a PD-L1 inhibitor and inhibits HIF-1α protein synthesis without affecting HIF-1α protein degradation. Fraxinellone has the potential to be a valuable candidate for cancer treatment by targeting PD-L1[1]. Fraxinellone is isolated from the root bark of the Rutaceae plant, Dictamnus dasycarpus. Fraxinellone is a PD-L1 inhibitor and inhibits HIF-1α protein synthesis without affecting HIF-1α protein degradation. Fraxinellone has the potential to be a valuable candidate for cancer treatment by targeting PD-L1[1]. Fraxinellone is isolated from the root bark of the Rutaceae plant, Dictamnus dasycarpus. Fraxinellone is a PD-L1 inhibitor and inhibits HIF-1α protein synthesis without affecting HIF-1α protein degradation. Fraxinellone has the potential to be a valuable candidate for cancer treatment by targeting PD-L1[1].
3-Furan-3-yl-3a,7-dimethyl-3a,4,5,6-tetrahydro-3H-isobenzofuran-1-one
N-Cyclohexyl-1,3-benzothiazol-2-amine
C13H16N2S (232.10341359999998)
6-Deoxy-2-O-methyl-3-C-methuyltalose, 9CI-beta-L-Pyranose-form-Me glycoside, 2,4-di-Ac
3-(isobutyryloxymethyl)-6-methylbenzofuran|O-(2-Methylpropanoyl)-6-Methyl-3-benzofuranmethanol
5-ethylidene-2-hydroxy-2-hydroxymethyl-3-methylhexane-dioic acid|isatinecic acid|Retronecinsaeure|Retronecinsaeure (14Cn)|Retronecinsaeure <14Cn>
Fraxinellone
Fraxinellone is isolated from the root bark of the Rutaceae plant, Dictamnus dasycarpus. Fraxinellone is a PD-L1 inhibitor and inhibits HIF-1α protein synthesis without affecting HIF-1α protein degradation. Fraxinellone has the potential to be a valuable candidate for cancer treatment by targeting PD-L1[1]. Fraxinellone is isolated from the root bark of the Rutaceae plant, Dictamnus dasycarpus. Fraxinellone is a PD-L1 inhibitor and inhibits HIF-1α protein synthesis without affecting HIF-1α protein degradation. Fraxinellone has the potential to be a valuable candidate for cancer treatment by targeting PD-L1[1]. Fraxinellone is isolated from the root bark of the Rutaceae plant, Dictamnus dasycarpus. Fraxinellone is a PD-L1 inhibitor and inhibits HIF-1α protein synthesis without affecting HIF-1α protein degradation. Fraxinellone has the potential to be a valuable candidate for cancer treatment by targeting PD-L1[1].
(6R,7R)-tetradeca-4E,12E-diene-6,7-diol-8,10-diyneal
Me glycoside,2,3-O-isopropylidene,Me ester-beta-D-Furanose-Riburonic acid
1-(2-hydroxy-4-methoxy-5-methylphenyl)-2,4-E,E-hexadien-1-one|1-(2-hydroxy-4-methoxy-5-methylphenyl)-E,E-2,4-hexadien-1-one
(8alpha,10beta)-form-15-Nor-4-oxo-1(5),11(13)-guaiadien-12,8-olide
(2E,4E)-1-(2,6-dihydroxy-3,5-dimethyl-phenyl)hexa-2,4-dien-1-one
(2E)-3-[(2S)-2,3-dihydro-2-(2-hydroxypropan-2-yl)-1-benzofuran-5-yl]prop-2-enal|(S)-demethoxywutaiensal
(2E)-3-[(3R)-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-chromen-6-yl]prop-2-enal|(R)-wutaipyranol A
(-)-2,3-dihydro-7-hydroxy-6,8-dimethyl-2-[(E)-prop-1-enyl]-chroman-4-one
2-hydroxy-1-((S)-2-(prop-1-en-2-yl)-2,3-dihydrobenzofuran-5-yl)propan-1-one|phenostereum A
(E)-3-(2,2-dimethylchroman-6-yl)-2-propenoic acid|(E)-3-(2,2-dimethylchroman-6-yl)acrylic acid|3-[(2H)-2,2-dimethyl-3,4-dihydrobenzopyran-6-yl]-2E-propenoic acid|Drupacin|dupracine
di-(3-deoxy-D-glycero-pentulose) 1,2:2,1 dianhydride
4-Acetyl-2,3-dihydro-2-isopropenyl-5-methoxybenzofuran
4-oxo-5(6),11-eudesmadien-8,12-olide|noralantolactone
todralazine
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents CONFIDENCE standard compound; INTERNAL_ID 1276; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4755; ORIGINAL_PRECURSOR_SCAN_NO 4753 CONFIDENCE standard compound; INTERNAL_ID 1276; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4752; ORIGINAL_PRECURSOR_SCAN_NO 4751 CONFIDENCE standard compound; INTERNAL_ID 1276; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4779; ORIGINAL_PRECURSOR_SCAN_NO 4778 CONFIDENCE standard compound; INTERNAL_ID 1276; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4772; ORIGINAL_PRECURSOR_SCAN_NO 4769 CONFIDENCE standard compound; INTERNAL_ID 1276; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4779; ORIGINAL_PRECURSOR_SCAN_NO 4777
(2E,4E)-1-(2,4-dihydroxy-3,5-dimethylphenyl)hexa-2,4-dien-1-one
N-Cyclohexyl-2-benzothiazol-amine
C13H16N2S (232.10341359999998)
CONFIDENCE standard compound; INTERNAL_ID 2879 CONFIDENCE standard compound; INTERNAL_ID 8847
Dihydrokavain
Dihydrokavain is one of the six major kavalactones found in the kava plant; appears to contribute significantly to the anxiolytic effects of kava, based on a study in chicks. Dihydrokavain is one of the six major kavalactones found in the kava plant; appears to contribute significantly to the anxiolytic effects of kava, based on a study in chicks.
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
3,4,5,6-tetrahydro-6,6-dimethyl-spiro[isobenzofuran-1(3H),2-[2H]pyran]-3-one
Asp-val
A dipeptide formed from L-alpha-aspartyl and L-valine residues.
Val-asp
A dipeptide formed from L-valine and L-aspartic acid residues.
4-(4-TERT-BUTYLPHENYL)THIAZOL-2-YLAMINE
C13H16N2S (232.10341359999998)
ETHYL5-AMINO-1-(PYRIDIN-2-YL)-1H-PYRAZOLE-4-CARBOXYLATE
1-(4-Trifluoromethylpyrimidin-2-yl)piperazine
C9H11F3N4 (232.09357619999997)
4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
C13H16N2S (232.10341359999998)
5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
C13H16N2S (232.10341359999998)
ETHYL 2-(5-PHENYL-2H-1,2,3,4-TETRAAZOL-2-YL)ACETATE
5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-amine
C13H16N2S (232.10341359999998)
Cyclohexanecarboxylic acid, 4-oxo-, phenylmethyl ester
4-[4-(2-BUTYL)PHENYL]THIAZOL-2-YLAMINE
C13H16N2S (232.10341359999998)
(R)-6-Benzyloxymethyl-4-methyl-5,6-dihydro-pyran-2-one
4-(4-Fluorophenyl)-6-isopropylpyrimidin-2-ol
C13H13FN2O (232.10118599999998)
Molinazone
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]boronic acid
C11H13BN2O3 (232.10191780000002)
tert-butyl 3-hydroxy-3-(nitromethyl)azetidine-1-carboxylate
2-Benzoxepin-1,3-dione,4,5-dihydro-4,4,7,9-tetramethyl-
(4-(2-(1H-PYRAZOL-1-YL)ETHOXY)PHENYL)BORONIC ACID
C11H13BN2O3 (232.10191780000002)
4-(1-Piperazinyl)-6-(trifluoromethyl)pyrimidine
C9H11F3N4 (232.09357619999997)
5-ISOPROPYL-3-METHYLTHIO-1-PHENYL-1H-PYRAZOLE
C13H16N2S (232.10341359999998)
N-(1-cyanocyclopentyl)-3-fluorobenzamide
C13H13FN2O (232.10118599999998)
ETHYL5-AMINO-1-(PYRIDIN-4-YL)-1H-PYRAZOLE-4-CARBOXYLATE
N-(1-cyanocyclopentyl)-2-fluorobenzamide
C13H13FN2O (232.10118599999998)
(4-(2-(1H-Imidazol-1-yl)ethoxy)phenyl)boronic acid
C11H13BN2O3 (232.10191780000002)
BENZENEACETIC ACID, 4-(CYCLOPROPYLCARBONYL)-A,A-DIMETHYL-
(E)-3-(2-Formylphenyl)-2-propenoic acid 1,1-dimethyl ethyl ester
Carbamimidothioic acid, N,N-bis[(ethylamino)carbonyl]-, methyl ester
C8H16N4O2S (232.09939160000002)
Boc-D-Asparagine
(R)-4-Amino-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid is an asparagine derivative[1].
1-(5,8-dimethoxy-3,4-dihydronaphthalen-2-yl)ethanone
2-piperazin-1-yl-5-(trifluoromethyl)pyrimidine
C9H11F3N4 (232.09357619999997)
(S)-1-(TERT-BUTOXYCARBONYL)-4,4-DIFLUOROPYRROLIDINE-2-CARBOXYLICACID
2-Naphthalenebutanoicacid, 5,6,7,8-tetrahydro-g-oxo-
1-(2-methylphenyl)-4-oxocyclohexane-1-carboxylic acid
Seletracetam
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent C26170 - Protective Agent > C1509 - Neuroprotective Agent
Rezatomidine
C13H16N2S (232.10341359999998)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
1,1,1,2,2-Pentamethyl-2-(phenylethynyl)disilane
C13H20Si2 (232.11034800000002)
(S)-2-((S)-2-Amino-3-methylbutanamido)succinic acid
4-Amino-5-(4-aminobutanoyloxy)-5-oxopentanoic acid
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
5-methyl-N-(3-methylphenyl)-4-nitro-1H-pyrazol-3-amine
(2S)-2-amino-5-[(2S)-2-aminobutanoyl]oxy-5-oxopentanoic acid
(2R,3R)-2-[(3S,6R)-3-Amino-6-hydroxy-2-oxopiperidinyl]-3-hydroxybutanoic acid
(2S,3R)-2-amino-3-hydroxy-5-[(2S,4R)-4-hydroxypyrrolidin-2-yl]-5-oxopentanoic acid
6,6-Dimethyl-3h-spiro[2-benzofuran-1,2-oxane]-3-one
Cryptolepine
An organic heterotetracyclic compound that is 5H-indolo[3,2-b]quinoline in which the hydrogen at position N-5 is replaced by a methyl group. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents
4-(L-gamma-glutamylamino)Butanoic acid
An N-acyl-gamma-aminobutyric acid resulting from the formal condensation of the amino group of 4-aminobutanoic acid with the gamma-carbxy group of L-glutamic acid.
Drupanin
Drupanin is a compound isolated from green propolis. Drupanin can selectively inhibit the AKR1C3 enzyme. Drupanin has the potential for the research of breast cancer[1].
3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-enoic acid
6,7-dihydroxy-7-(hydroxymethyl)-5-methoxy-hexahydrocyclopenta[c]pyran-3-one
(2s,3r,5z)-5-ethylidene-2-hydroxy-2-(hydroxymethyl)-3-methylhexanedioic acid
3-(penta-1,3-dien-1-yl)-3,4-dihydro-1h-2-benzopyran-4,8-diol
(2e,4e)-1-(2-hydroxy-4-methoxy-5-methylphenyl)hexa-2,4-dien-1-one
9-methoxy-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,5,6-triol
1-[(2r)-6-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
(3r,3ar)-3-(furan-3-yl)-3a,7-dimethyl-3,4,5,7a-tetrahydro-2-benzofuran-1-one
(4s)-4-hydroxy-3-[2-(4-hydroxyphenyl)ethyl]cyclohex-2-en-1-one
5,10-dimethyl-3-oxatetracyclo[7.4.0.0¹,¹⁰.0²,⁶]tridec-12-ene-4,11-dione
(3r,4e,6e,12e)-tetradeca-4,6,12-trien-8,10-diyne-1,3,14-triol
1-[5-methoxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-4-yl]ethanone
atractylentriol
{"Ingredient_id": "HBIN017289","Ingredient_name": "atractylentriol","Alias": "NA","Ingredient_formula": "C14H16O3","Ingredient_Smile": "C(CO)C(C=CC=CC#CC#CC=CCO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14416","TCMID_id": "1968","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}