Exact Mass: 206.0552216
Exact Mass Matches: 206.0552216
Found 307 metabolites which its exact mass value is equals to given mass value 206.0552216
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Scoparone
Scoparone is a member of the class of coumarins that is esculetin in which the two hydroxy groups at positions 6 and 7 are replaced by methoxy groups. It is a major constituent of the Chinese herbal medicine Yin Chen Hao, and exhibits a variety of pharmacological activities such as anti-inflammatory, anti-allergic, and anti-tumor activities. It has a role as a plant metabolite, an anti-inflammatory agent, an antilipemic drug, an immunosuppressive agent, an antihypertensive agent and an anti-allergic agent. It is a member of coumarins and an aromatic ether. It is functionally related to an esculetin. Scoparone is a natural product found in Haplophyllum ramosissimum, Haplophyllum thesioides, and other organisms with data available. A member of the class of coumarins that is esculetin in which the two hydroxy groups at positions 6 and 7 are replaced by methoxy groups. It is a major constituent of the Chinese herbal medicine Yin Chen Hao, and exhibits a variety of pharmacological activities such as anti-inflammatory, anti-allergic, and anti-tumor activities. D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics Scoparone is found in anise. Scoparone is found in several citrus oil D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Found in several citrus oils Scoparone is isolated from Artemisia capillaris Thunb., has anticoagulant, vasorelaxant antioxidant, anti-inflammatory activities[1]. Scoparone is isolated from Artemisia capillaris Thunb., has anticoagulant, vasorelaxant antioxidant, anti-inflammatory activities[1].
cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene
Eugenin
Constituent of Eugenia aromatica (clove). Eugenin is found in many foods, some of which are wild carrot, carrot, herbs and spices, and java plum. Eugenin is found in carrot. Eugenin is a constituent of Eugenia aromatica (clove). Eugenin is a chromone isolated from Peucedanum japonicum, with potent antiplatelet aggregation activity[1]. Eugenin is a chromone isolated from Peucedanum japonicum, with potent antiplatelet aggregation activity[1].
Citropten
5,7-dimethoxy-1-benzopyran-2-one is a member of coumarins. 5,7-Dimethoxycoumarin is a natural product found in Edgeworthia chrysantha, Melicope borbonica, and other organisms with data available. Citropten is found in citrus. Citropten is found in lime and bergamot oils. Found in lime and bergamot oils Citropten (5,7-Dimethoxycoumarin) is a coumarin isolated from bergamot oil. Citropten (5,7-Dimethoxycoumarin) has an antiproliferative activity against A2058 human melanoma cell line[1][2]. Citropten (5,7-Dimethoxycoumarin) is a coumarin isolated from bergamot oil. Citropten (5,7-Dimethoxycoumarin) has an antiproliferative activity against A2058 human melanoma cell line[1][2].
Eugenitol
Eugenitol is found in herbs and spices. Eugenitol is a constituent of the flowers of Eugenia caryophyllata (clove)
Vinyl caffeate
Vinyl caffeate is found in fats and oils. Vinyl caffeate is a constituent of Perilla frutescens var. crispa
Isoeugenitol
Isoeugenitol is found in herbs and spices. Isoeugenitol is present in Eugenia caryophyllata (clove
3-Methoxy-4,5-methylenedioxycinnamaldehyde
3-Methoxy-4,5-methylenedioxycinnamaldehyde is found in herbs and spices. 3-Methoxy-4,5-methylenedioxycinnamaldehyde is a constituent of Piper auritum (Veracruz pepper). Constituent of Piper auritum (Veracruz pepper). 3-Methoxy-4,5-methylenedioxycinnamaldehyde is found in herbs and spices.
2-Methyl-3 or 5 or 6-(furfurylthio)pyrazine (mixture of isomers)
2-Methyl-3 or 5 or 6-(furfurylthio)pyrazine (mixture of isomers) is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
2-[(2-Furanylmethyl)thio]-6-methylpyrazine
2-[(2-Furanylmethyl)thio]-6-methylpyrazine is present in aroma of pumpkin seed oil. 2-[(2-Furanylmethyl)thio]-6-methylpyrazine is a flavouring ingredien Present in aroma of pumpkin seed oil. Flavouring ingredient
Daphnetin dimethyl ether
7,8-Dimethoxycoumarin is a natural product found in Ayapana triplinervis, Citrus medica, and other organisms with data available.
1-Chloro-3-chloromethyl-7-methyl-2,6-octadiene
C10H16Cl2 (206.06289959999998)
2-({[(Cyanoimino)(methylthio)methyl]amino}methyl)pyridine
LEPTORUMOL
A member of the class of chromones that is chromone substituted by hydroxy groups at positions 5 and 7 and methyl groups at positions 6 and 8 respectively. It has been isolated from Pisonia aculeata.
6-(2,4-Dihydroxyphenyl)-5,6-dihydro-2H-pyran-2-one
2H-1-Benzopyran-2-one, 8-hydroxy-4-methoxy-5-methyl-
8,9-Epoxide,Me ester-(Z,Z)-10-Hydroxy-2,8-decadiene-4,6-diynoic acid|methyl 2(Z)-10-hydroxy-8,9-epoxydecen-4,6-diynoate
Scoparone
Annotation level-1 D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Scoparone is isolated from Artemisia capillaris Thunb., has anticoagulant, vasorelaxant antioxidant, anti-inflammatory activities[1]. Scoparone is isolated from Artemisia capillaris Thunb., has anticoagulant, vasorelaxant antioxidant, anti-inflammatory activities[1].
7-hydroxy-3-(hydroxymethyl)-5-methylisochromen-1-one
(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
Citropten
Citropten (5,7-Dimethoxycoumarin) is a coumarin isolated from bergamot oil. Citropten (5,7-Dimethoxycoumarin) has an antiproliferative activity against A2058 human melanoma cell line[1][2]. Citropten (5,7-Dimethoxycoumarin) is a coumarin isolated from bergamot oil. Citropten (5,7-Dimethoxycoumarin) has an antiproliferative activity against A2058 human melanoma cell line[1][2].
5,7-Dimethoxycoumarin
CONFIDENCE standard compound; INTERNAL_ID 1077; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8327; ORIGINAL_PRECURSOR_SCAN_NO 8325 CONFIDENCE standard compound; INTERNAL_ID 1077; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8344; ORIGINAL_PRECURSOR_SCAN_NO 8342 CONFIDENCE standard compound; INTERNAL_ID 1077; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8375; ORIGINAL_PRECURSOR_SCAN_NO 8374 CONFIDENCE standard compound; INTERNAL_ID 1077; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8402; ORIGINAL_PRECURSOR_SCAN_NO 8400 CONFIDENCE standard compound; INTERNAL_ID 1077; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8420; ORIGINAL_PRECURSOR_SCAN_NO 8415 CONFIDENCE standard compound; INTERNAL_ID 1077; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8233; ORIGINAL_PRECURSOR_SCAN_NO 8230 Citropten (5,7-Dimethoxycoumarin) is a coumarin isolated from bergamot oil. Citropten (5,7-Dimethoxycoumarin) has an antiproliferative activity against A2058 human melanoma cell line[1][2]. Citropten (5,7-Dimethoxycoumarin) is a coumarin isolated from bergamot oil. Citropten (5,7-Dimethoxycoumarin) has an antiproliferative activity against A2058 human melanoma cell line[1][2].
Eugenin
A member of the class of chromones that is chromone substituted by a hydroxy group at position 5, a methoxy group at position 7 and a methyl group at position 2. It has been isolated from Pisonia aculeata. Eugenin is a chromone isolated from Peucedanum japonicum, with potent antiplatelet aggregation activity[1]. Eugenin is a chromone isolated from Peucedanum japonicum, with potent antiplatelet aggregation activity[1].
[6-amino-5-(trifluoromethyl)Pyridin-3-yl]boronic acid
Methyl 4-oxo-3,4-dihydro-2H-chroMene-8-carboxylate
(2R,3S)-1-CARBOXY-4-ETHYL-2,3-DIHYDROXY-CYCLOHEXA-4,6-DIENE, SODIUM SALT, 85
Sodium 1-hexanesulfonate hydrate (1:1:1)
C6H15NaO4S (206.05887099999998)
(6-Hydroxybenzofuran-3-yl)acetic acid methyl ester
8-CHLORO-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]-INDOLE
(4-Methyl-2-(pyridin-4-yl)thiazol-5-yl)methanol
Potassium cyclopentoxymethyltrifluoroborate
C6H11BF3KO (206.04920819999998)
3-(DIMETHYLAMINO)-2-(THIOPHENE-2-CARBONYL)ACRYLONITRILE
2,3-DIHYDRO-6-METHOXY-3-OXO-1H-INDENE-1-CARBOXYLIC ACID
2-Isopropyl-4(((N-methyl)amino)methyl)thiazole hydrochloride
C8H15ClN2S (206.06444199999999)
5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
(2,3-dihydro-1h-8-thia-5,7-diaza-cyclopenta[a]inden-4-yl)-hydrazine
5-(4-AMINO-PHENYL)-4-METHYL-4 H-[1,2,4]TRIAZOLE-3-THIOL
4-AMINO-5-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
4-Chloro-2-(1-methylcyclopropyl)-1H-pyrrolo[2,3-b]pyridine
4-(4-METHYL-5-(METHYLTHIO)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
3-(4-METHYL-5-(METHYLTHIO)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
POLY(TETRAFLUOROETHYLENE-CO-VINYLIDENE F LUORIDE-CO-PROPYLENE)
Coumarin-8-ol, 7-methoxy-4-methyl-
7-Methoxy-4-methyl-coumarin-8-ol (compound 31) is a compound isolated from sour orange (Citrus aurantium)[1].
1-(BENZO[D][1,3]DIOXOL-5-YL)CYCLOPROPANECARBOXYLIC ACID
6-Chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
(4-Fluoro-3-methoxybenzyl)hydrazine hydrochloride (1:1)
C8H12ClFN2O (206.06221439999996)
icoduline
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
3-Ethylsulfanyl-imidazo[1,5-a]pyridine-5-carbaldehyde
2-(BUT-3-YN-1-YL)IMIDAZO[1,2-A]PYRIDINE HYDROCHLORIDE
5,6,7,8-TETRAHYDRO-10H-PYRIDO[1,2-A]THIENO[3,2-D]PYRIMIDIN-10-ONE
2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-6-METHOXY-3-METHYL-
3,4-Dihydro-2H-[1,3]thiazino[3,2-a]benzimidazol-3-ol
Scoparon
D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Scoparone is isolated from Artemisia capillaris Thunb., has anticoagulant, vasorelaxant antioxidant, anti-inflammatory activities[1]. Scoparone is isolated from Artemisia capillaris Thunb., has anticoagulant, vasorelaxant antioxidant, anti-inflammatory activities[1].
Limetin
Citropten (5,7-Dimethoxycoumarin) is a coumarin isolated from bergamot oil. Citropten (5,7-Dimethoxycoumarin) has an antiproliferative activity against A2058 human melanoma cell line[1][2]. Citropten (5,7-Dimethoxycoumarin) is a coumarin isolated from bergamot oil. Citropten (5,7-Dimethoxycoumarin) has an antiproliferative activity against A2058 human melanoma cell line[1][2].
4-(2-Aminophenyl)-2,4-dioxobutanoate
The conjugate base of 4-(2-aminophenyl)-2,4-dioxobutanoic acid; major species at pH 7.3.
2-Butenoic acid, 2-hydroxy-4-oxo-4-phenyl-, methyl ester
7-Hydroxy-3-(hydroxymethyl)-5-methylisochromen-1-one
8-Methyl-3-oxo-2-oxabicyclo(4.4.0)deca-4,9-diene-6,8-carbolactone
diethyl 2-sulfanylbutanedioate
A diester resulting from the formal condensation of the carboxy groups of thiomalic acid with ethanol. It is a metabolite of the insecticide malathion.
7-demethylsiderin
A member of the class of hydroxycoumarins that is coumarin which is substituted by methoxy, methyl, and hydroxy groups at positions 4, 5 and 7, respectively.
2-benzylsuccinate(2-)
A dicarboxylic acid dianion that is the conjugate base of 2-benzylsuccinic acid.
6,8-dihydroxy-5-methyl-2,3-dihydronaphthalene-1,4-dione
4-hydroxy-6-(4-hydroxyphenyl)-5,6-dihydropyran-2-one
8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-carbaldehyde
7-methoxy-6-methyl-1-oxo-3h-2-benzofuran-4-carbaldehyde
1-chloro-3-(chloromethyl)-7-methylocta-2,6-diene
C10H16Cl2 (206.06289959999998)
(2z)-3-(7-methoxy-2h-1,3-benzodioxol-5-yl)prop-2-enal
3-(3,4-dihydroxyphenyl)-2-propenoic acid,9ci; (e)-form,vinyl ester
{"Ingredient_id": "HBIN007120","Ingredient_name": "3-(3,4-dihydroxyphenyl)-2-propenoic acid,9ci; (e)-form,vinyl ester","Alias": "NA","Ingredient_formula": "C11H10O4","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8492","PubChem_id": "NA","DrugBank_id": "NA"}
(1r,2s)-1,2-dihydroxy-1h-naphthalene-2-carboxylic acid
(3z)-3-ethylidene-7-hydroxy-6-methoxy-2-benzofuran-1-one
6,9-dihydroxy-3-methyl-1h-cyclohepta[c]pyran-7-one
(3r)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-5-carbaldehyde
8-hydroxy-3-methyl-1h-isochromene-7-carboxylic acid
(2e)-3-(6-methoxy-2h-1,3-benzodioxol-5-yl)prop-2-enal
(6z)-8-chloro-6-(chloromethyl)-2-methylocta-2,6-diene
C10H16Cl2 (206.06289959999998)