Exact Mass: 238.0794
Exact Mass Matches: 238.0794
Found 336 metabolites which its exact mass value is equals to given mass value 238.0794,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Xanthopterin-B2
A member of the class of pteridines that is 7,8-dihydropteridine-2,4(1H,3H)-dione carrying a lactoyl group at position 6.
3,4,5-Trimethoxycinnamic acid
3, 4, 5-trimethoxycinnamic acid is a methoxycinnamic acid with three methoxy substituents at the 3-, 4- and 5-positions. It has a role as an allergen. It is a conjugate acid of a 3,4,5-trimethoxycinnamate. 3, 4, 5-Trimethoxycinnamic acid is an organic acid found in normal human urine (PMID:6992730, 6511847). Trimethoxycinnamate is a natural aromatic ester from Piper longum that inhibits expression of cell adhesion molecules on endothelial cells (TNF- -induced expression of intercellular adhesion molecule-1 (ICAM-1) and E-Selectin and vascular adhesion molecules-1 (VCAM-1)), without being toxic to endothelial cells. (PMID:16313198). 3,4,5-trimethoxycinnamic acid is a methoxycinnamic acid with three methoxy substituents at the 3-, 4- and 5-positions. It has a role as an allergen. It is a conjugate acid of a 3,4,5-trimethoxycinnamate. 3,4,5-Trimethoxycinnamic acid is a natural product found in Piper tuberculatum, Polygala tenuifolia, and Piper swartzianum with data available. 3,4,5-Trimethoxycinnamic acid is an organic acid found in normal human urine. (PMID: 6992730, 6511847) (E)-3,4,5-Trimethoxycinnamic acid (TMCA) is a cinnamic acid substituted by multi-methoxy groups. (E)-3,4,5-Trimethoxycinnamic acid is an orally active and potent GABAA/BZ receptor agonist. (E)-3,4,5-Trimethoxycinnamic exhibits favourable binding affinity to 5-HT2C and 5-HT1A receptor, with IC50 values of 2.5 and 7.6 μM, respectively. (E)-3,4,5-Trimethoxycinnamic acid shows anticonvulsant and sedative activity. (E)-3,4,5-Trimethoxycinnamic acid can be used for the research of insomnia, headache and epilepsy[1][2][3]. (E)-3,4,5-Trimethoxycinnamic acid (TMCA) is a cinnamic acid substituted by multi-methoxy groups. (E)-3,4,5-Trimethoxycinnamic acid is an orally active and potent GABAA/BZ receptor agonist. (E)-3,4,5-Trimethoxycinnamic exhibits favourable binding affinity to 5-HT2C and 5-HT1A receptor, with IC50 values of 2.5 and 7.6 μM, respectively. (E)-3,4,5-Trimethoxycinnamic acid shows anticonvulsant and sedative activity. (E)-3,4,5-Trimethoxycinnamic acid can be used for the research of insomnia, headache and epilepsy[1][2][3]. 3,4,5-Trimethoxycinnamic acid is a phenylpropanoid isolated from the roots of Polygala tenuifolia WILLD, with anti-stress effect, prolonging the sleeping time in animals[1][2]. 3,4,5-Trimethoxycinnamic acid increases expression of GAD65 and γ-subunit of GABAA receptor, but shows no effect on the amounts of α-, β-subunits[2]. 3,4,5-Trimethoxycinnamic acid is a phenylpropanoid isolated from the roots of Polygala tenuifolia WILLD, with anti-stress effect, prolonging the sleeping time in animals[1][2]. 3,4,5-Trimethoxycinnamic acid increases expression of GAD65 and γ-subunit of GABAA receptor, but shows no effect on the amounts of α-, β-subunits[2]. 3,4,5-Trimethoxycinnamic acid is a phenylpropanoid isolated from the roots of Polygala tenuifolia WILLD, with anti-stress effect, prolonging the sleeping time in animals[1][2]. 3,4,5-Trimethoxycinnamic acid increases expression of GAD65 and γ-subunit of GABAA receptor, but shows no effect on the amounts of α-, β-subunits[2].
3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)prop-2-en-1-ol
1-(2,4,5-Trimethoxyphenyl)-1,2-propanedione
1-(2,4,5-Trimethoxyphenyl)-1,2-propanedione is found in herbs and spices. 1-(2,4,5-Trimethoxyphenyl)-1,2-propanedione is a constituent of Acorus calamus (sweet flag)
Trans-2, 3, 4-Trimethoxycinnamate
Trimethoxycinnamic acid is an organic acid found in normal human urine. (PMID: 6992730, 6511847) Trimethoxycinnamate is a natural aromatic ester from Piper longum that inhibits expression of cell adhesion molecules on endothelial cells (TNF- -induced expression of intercellular adhesion molecule-1 (ICAM-1) and E-Selectin and vascular adhesion molecules-1 (VCAM-1)), without being toxic to endothelial cells. (PMID: 16313198) [HMDB] Trimethoxycinnamic acid is an organic acid found in normal human urine. (PMID: 6992730, 6511847) Trimethoxycinnamate is a natural aromatic ester from Piper longum that inhibits expression of cell adhesion molecules on endothelial cells (TNF- -induced expression of intercellular adhesion molecule-1 (ICAM-1) and E-Selectin and vascular adhesion molecules-1 (VCAM-1)), without being toxic to endothelial cells. (PMID: 16313198).
Acefylline
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator Acefylline (Theophyllineacetic acid), a xanthine derivative, is an adenosine receptor antagonist. Acefylline is a peptidylarginine deiminase (PAD) activator. Acefylline is also a bronchodilator, which inhibits rat lung cAMP phosphodiesterase isoenzymes[1][2]. Acefylline, a xanthine derivative, is an adenosine receptor antagonist. Acefylline is a peptidylarginine deiminase (PAD) activator. Acefylline is also a bronchodilator and cardiac stimulant that inhibits rat lung cAMP phosphodiesterase isoenzymes. Acefylline can be used in asthma research[1][2][3]. Acefylline (Theophyllineacetic acid), a xanthine derivative, is an adenosine receptor antagonist. Acefylline is a peptidylarginine deiminase (PAD) activator. Acefylline is also a bronchodilator, which inhibits rat lung cAMP phosphodiesterase isoenzymes[1][2].
N7-(2-Carbamoyl-2-hydroxyethyl)guanine
(S)-(+)-1-(p-Hydroxy-trans-cinnamoyl)-glycerol
(s)-(+)-1-(p-hydroxy-trans-cinnamoyl)-glycerol is a member of the class of compounds known as coumaric acid esters. Coumaric acid esters are aromatic compounds containing an ester derivative of coumaric acid (s)-(+)-1-(p-hydroxy-trans-cinnamoyl)-glycerol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (s)-(+)-1-(p-hydroxy-trans-cinnamoyl)-glycerol can be found in corn, which makes (s)-(+)-1-(p-hydroxy-trans-cinnamoyl)-glycerol a potential biomarker for the consumption of this food product.
2,3,5-Trimethoxy-6-(1E)-1-propenyl-2,5-cyclohexadiene-1,4-dione
7-Hydroxy-3-(2,3-dihydroxybutyl)-1(3H)-isobenzofuranone
Acefylline
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator Acefylline (Theophyllineacetic acid), a xanthine derivative, is an adenosine receptor antagonist. Acefylline is a peptidylarginine deiminase (PAD) activator. Acefylline is also a bronchodilator, which inhibits rat lung cAMP phosphodiesterase isoenzymes[1][2]. Acefylline, a xanthine derivative, is an adenosine receptor antagonist. Acefylline is a peptidylarginine deiminase (PAD) activator. Acefylline is also a bronchodilator and cardiac stimulant that inhibits rat lung cAMP phosphodiesterase isoenzymes. Acefylline can be used in asthma research[1][2][3]. Acefylline (Theophyllineacetic acid), a xanthine derivative, is an adenosine receptor antagonist. Acefylline is a peptidylarginine deiminase (PAD) activator. Acefylline is also a bronchodilator, which inhibits rat lung cAMP phosphodiesterase isoenzymes[1][2].
4-(cis)-acetyl-3,6,8-trihydroxy-3-methyldihydronaphalrnone
Methyl 4-hydroxy-3,5-dimethoxycinnamate; Sinapic acid methyl ester
Me ether,di-Me ester-Hydroxyphenylpropanedioic acid
5-Hydroxy-7-methoxy-4-(methoxymethyl)-6-methyl-1(3H)-isobenzofuranone
(R)-4-methoxy-7-(2-oxopropyl)-7,8-dihydropyrano[4,3-b]pyran-2(5H)-one|pyrenocine K
(3S)-3-((R)-1-hydroxyethyl)-6,8-dihydroxy-7-methyl-3,4-dihydroisocoumarin
3-Hydroxy-4-methoxy-1-(4-hydroxy-1,3-dioxo-2-methyl-butyl)-benzol|3-Hydroxy-4-methoxy-1-<4-hydroxy-1,3-dioxo-2-methyl-butyl>-benzol
(3R*,4R*)-3,4-dihydro-4,8-dihydroxy-3-(hydroxymethyl)-6-methoxynaphthalen-1(2H)-one|balticol B
(E)-5-oxo-3-(prop-1-enyl)cyclopent-3-ene-1,2-diyl diacetate|diacetylterrein|Terreindiacetat
2,3-Dimethoxy-5-(1-methyl-2-oxopropyl)-1,4-benzoquinone
3,4,5-Trimethoxycinnamic acid
IPB_RECORD: 2381; CONFIDENCE confident structure (E)-3,4,5-Trimethoxycinnamic acid (TMCA) is a cinnamic acid substituted by multi-methoxy groups. (E)-3,4,5-Trimethoxycinnamic acid is an orally active and potent GABAA/BZ receptor agonist. (E)-3,4,5-Trimethoxycinnamic exhibits favourable binding affinity to 5-HT2C and 5-HT1A receptor, with IC50 values of 2.5 and 7.6 μM, respectively. (E)-3,4,5-Trimethoxycinnamic acid shows anticonvulsant and sedative activity. (E)-3,4,5-Trimethoxycinnamic acid can be used for the research of insomnia, headache and epilepsy[1][2][3]. (E)-3,4,5-Trimethoxycinnamic acid (TMCA) is a cinnamic acid substituted by multi-methoxy groups. (E)-3,4,5-Trimethoxycinnamic acid is an orally active and potent GABAA/BZ receptor agonist. (E)-3,4,5-Trimethoxycinnamic exhibits favourable binding affinity to 5-HT2C and 5-HT1A receptor, with IC50 values of 2.5 and 7.6 μM, respectively. (E)-3,4,5-Trimethoxycinnamic acid shows anticonvulsant and sedative activity. (E)-3,4,5-Trimethoxycinnamic acid can be used for the research of insomnia, headache and epilepsy[1][2][3]. 3,4,5-Trimethoxycinnamic acid is a phenylpropanoid isolated from the roots of Polygala tenuifolia WILLD, with anti-stress effect, prolonging the sleeping time in animals[1][2]. 3,4,5-Trimethoxycinnamic acid increases expression of GAD65 and γ-subunit of GABAA receptor, but shows no effect on the amounts of α-, β-subunits[2]. 3,4,5-Trimethoxycinnamic acid is a phenylpropanoid isolated from the roots of Polygala tenuifolia WILLD, with anti-stress effect, prolonging the sleeping time in animals[1][2]. 3,4,5-Trimethoxycinnamic acid increases expression of GAD65 and γ-subunit of GABAA receptor, but shows no effect on the amounts of α-, β-subunits[2]. 3,4,5-Trimethoxycinnamic acid is a phenylpropanoid isolated from the roots of Polygala tenuifolia WILLD, with anti-stress effect, prolonging the sleeping time in animals[1][2]. 3,4,5-Trimethoxycinnamic acid increases expression of GAD65 and γ-subunit of GABAA receptor, but shows no effect on the amounts of α-, β-subunits[2].
3,4,5-Trimethoxycinnamic_acid
Acquisition and generation of the data is financially supported by the Max-Planck-Society
(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
4,8-dihydroxy-7-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
2-(2-acetyl-3,5-dihydroxy-4,6-dimethylphenyl)acetic acid
ethyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate
OCP_239.0946_17.0
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1301
4,8-dihydroxy-7-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
ethyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate [IIN-based: Match]
ethyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate [IIN-based on: CCMSLIB00000848590]
1,4-Diaminoanthraquinone
CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4327; ORIGINAL_PRECURSOR_SCAN_NO 4323 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4334; ORIGINAL_PRECURSOR_SCAN_NO 4329 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4296; ORIGINAL_PRECURSOR_SCAN_NO 4294 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4319; ORIGINAL_PRECURSOR_SCAN_NO 4316 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4313; ORIGINAL_PRECURSOR_SCAN_NO 4311 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4308; ORIGINAL_PRECURSOR_SCAN_NO 4305 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8355; ORIGINAL_PRECURSOR_SCAN_NO 8351 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8381; ORIGINAL_PRECURSOR_SCAN_NO 8379 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8411; ORIGINAL_PRECURSOR_SCAN_NO 8406 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8406; ORIGINAL_PRECURSOR_SCAN_NO 8402 CONFIDENCE standard compound; INTERNAL_ID 530; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8428; ORIGINAL_PRECURSOR_SCAN_NO 8425
Propanoic acid, 2-hydroxy-3-[2-(2-propenyloxy)phenoxy]-
Propanedioic acid,2-(2-furanylmethylene)-, 1,3-diethyl ester
ethyl 4-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxylate
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carbaldehyde
2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-1-acetic acid
1H-Isoindole-1,3(2H)-dione, 2-(6-methyl-2-pyridinyl)-
1,8-DIOXO-1,3,4,8-TETRAHYDRO-2H-PYRIDO[1,2-A]-PYRAZINE-6-CARBOXYLIC ACID
6-METHOXY-1,2,3,4-TETRAHYDRO-9 H-PYRIDO[3,4-B]INDOLE HYDROCHLORIDE
2,5-Dimethoxy-beta-oxobenzenepropanoic acid methyl ester
3-(2,4-DIMETHOXY-PHENYL)-3-OXO-PROPIONIC ACID METHYL ESTER
PIPERIDINE-3-CARBOXYLIC ACID (4-CHLORO-PHENYL)-AMIDE
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carbaldehyde
4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol,2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
Benzo[b]naphtho[2,3-d]thiophene,7,8,9,10-tetrahydro-
1(2H)-Isoquinolinone, 2-(3-aminopropyl)-, hydrochloride (1:1)
Piperidine, 1-[(2-chloro-3-pyridinyl)carbonyl]-3-methyl- (9CI)
dimethyl 5-methoxy-3-methylbenzene-1,2-dicarboxylate
3-(3,5-dimethoxy-phenyl)-3-oxo-propionic acid methyl ester
3-(2,3-dimethoxy-phenyl)-3-oxo-propionic acid methyl ester
5a-hydroxy-5,5a-dihydro-pyrido[4,3:4,5]pyrrolo[2,1-a]isoindol-10-one
(6E)-6-(5-phenyl-3H-1,3,4-oxadiazol-2-ylidene)cyclohexa-2,4-dien-1-one
3-(2-HYDROXY-4-METHOXY-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
ISOPROPYL β-D-THIOGLUCOPYRANOSIDE
Spiro[3H-indole-3,4-piperidin]-2(1H)-one Hydrochloride
(4-AMINO-PIPERIDIN-1-YL)-(4-CHLORO-PHENYL)-METHANONE
Cinametic acid
C78276 - Agent Affecting Digestive System or Metabolism > C66913 - Cholagogues or Choleretic Agents D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics
2-METHYL-1-OXO-1,2-DIHYDROBENZO[B]-1,6-NAPHTHYRIDINE-4-CARBALDEHYDE
(3E)-3-[(4-Hydroxyphenyl)imino]-1H-indol-2(3H)-one
2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2,3-dihydroxypropyl ester, (E)-
Carbamic acid, (2-chloroethylidene)di-, diethyl ester
6-(2-hydroxypropanoyl)-4a,7-dihydro-1H-pteridine-2,4-dione
2-(4-fluoro-3-nitrophenyl)-4,4-dimethyl-5H-oxazole
2-(2,3-Dihydroxypropylamino)-5-nitro-3-pyridinecarbonitrile
3-carboxy-4-methyl-5-propylene-2-furanpropanoic acid
2,3,5-trimethoxy-6-[(1e)-prop-1-en-1-yl]cyclohexa-2,5-diene-1,4-dione
(2r,3r)-3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylic acid
(2s,3s)-2-[(2s)-2-(hydroxymethyl)oxiran-2-yl]-5-methoxy-2,3-dihydro-1-benzofuran-3-ol
(2r,3r,7s)-3-hydroxy-7-methyl-2-[(1e)-prop-1-en-1-yl]-2h,3h,6h,7h-pyrano[2,3-b]pyran-4,5-dione
(3s,4s)-4,6,8-trihydroxy-3,4,5-trimethyl-3h-2-benzopyran-1-one
(2s,3s,4s)-3,4-dihydroxy-2-methyl-7-[(1e)-prop-1-en-1-yl]-2h,3h,4h-pyrano[4,3-b]pyran-5-one
1-ethenyl-9h-pyrido[3,4-b]indole-3-carboxylic acid
(2s)-3-{[2-(4-hydroxyphenyl)acetyl]oxy}-2-methylpropanoic acid
(2s)-7-hydroperoxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carbaldehyde
3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylic acid
(2r)-1-(2,4-dihydroxy-7,8-dihydropteridin-6-yl)-2-hydroxypropan-1-one
(3r)-3,6,8-trihydroxy-3,5,7-trimethyl-4h-2-benzopyran-1-one
4,6,8-trihydroxy-3,4,5-trimethyl-3h-2-benzopyran-1-one
1-o-coumaroylglycerol; (±)-(e)-form
{"Ingredient_id": "HBIN002866","Ingredient_name": "1-o-coumaroylglycerol; (±)-(e)-form","Alias": "NA","Ingredient_formula": "C12H14O5","Ingredient_Smile": "NA","Ingredient_weight": "238.24","OB_score": "NA","CAS_id": "108026-22-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9142","PubChem_id": "NA","DrugBank_id": "NA"}
1-o-coumaroylglycerol; (s,e)-form
{"Ingredient_id": "HBIN002868","Ingredient_name": "1-o-coumaroylglycerol; (s,e)-form","Alias": "NA","Ingredient_formula": "C12H14O5","Ingredient_Smile": "NA","Ingredient_weight": "238.24","OB_score": "NA","CAS_id": "114420-68-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9140","PubChem_id": "NA","DrugBank_id": "NA"}
2-o-coumaroylglycerol; (e)-form
{"Ingredient_id": "HBIN006215","Ingredient_name": "2-o-coumaroylglycerol; (e)-form","Alias": "NA","Ingredient_formula": "C12H14O5","Ingredient_Smile": "NA","Ingredient_weight": "238.24","OB_score": "NA","CAS_id": "142942-87-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8541","PubChem_id": "NA","DrugBank_id": "NA"}
