Exact Mass: 224.10549200000003
Exact Mass Matches: 224.10549200000003
Found 356 metabolites which its exact mass value is equals to given mass value 224.10549200000003,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
1-Methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine
1-Methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine is a food-related mutagen, reported to be the most abundant heterocyclic amine found in cooked meat and fish. Food-related mutagen, reported to be the most abundant heterocyclic amine found in cooked meat and fish CONFIDENCE standard compound; INTERNAL_ID 8317 CONFIDENCE standard compound; INTERNAL_ID 2293 CONFIDENCE standard compound; INTERNAL_ID 9 D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
Olivetolic acid
A member of the class of benzoic acids that is salicylic acid in which the hydrogens ortho- and para- to the carboxy group are replaced by a pentyl and a hydroxy group, respectively. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
Dhelwangin
Dhelwangin is an aromatic ketone. Dhelwangin is a natural product found in Pogostemon cablin with data available. Dhelwangin is found in herbs and spices. Dhelwangin is isolated from leaves of Pogostemon cablin (patchouli Pogostone is isolated from patchouli oil?with anti-bacterial and anti-cancer activities.?Pogostone inhibits both gram negative and gram positive bacteria, also show inhibitory effect on corynebacterium xerosis with a MIC value of 0.098 μg/ml [2].?Pogostone induces cell apoptosis and autophagy[2]. Pogostone is isolated from patchouli oil?with anti-bacterial and anti-cancer activities.?Pogostone inhibits both gram negative and gram positive bacteria, also show inhibitory effect on corynebacterium xerosis with a MIC value of 0.098 μg/ml [2].?Pogostone induces cell apoptosis and autophagy[2].
Diplosporin
Epi-diplosporin is a metabolite of Diplodia macrospora isolated from infected maize. Metabolite of Diplodia macrospora isolated from infected maize
3',4',5'-Trimethoxycinnamyl alcohol
3,4,5-Trimethoxycinnamyl alcohol is found in herbs and spices. 3,4,5-Trimethoxycinnamyl alcohol is a constituent of Myristica fragrans (nutmeg) and other plant species. Constituent of Myristica fragrans (nutmeg) and other plant subspecies 3,4,5-Trimethoxycinnamyl alcohol is found in herbs and spices.
Isoacoramone
Constituent of Acorus calamus (sweet flag). Isoacoramone is found in herbs and spices and root vegetables. Isoacoramone is found in herbs and spices. Isoacoramone is a constituent of Acorus calamus (sweet flag).
Acoramone
Acoramone is found in herbs and spices. Acoramone is a constituent of the oil of Acorus calamus (sweet flag)
Vanillin 1,2-butylene glycol acetal
Vanillin 1,2-butylene glycol acetal is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol
2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol is present in food as an artifact arising from reaction of
2,6-Diamino-9-(2-hydroxyethoxymethyl)purine
C8H12N6O2 (224.10216920000002)
56W6M8HQ2G
Senkyunolide h is a member of 2-benzofurans. (3Z,6R,7S)-3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one is a natural product found in Ligusticum striatum, Angelica sinensis, and other organisms with data available. Senkyunolide H is a natural compound isolated from Ligusticum chuanxiong Hort[1]. Senkyunolide H is a natural compound isolated from Ligusticum chuanxiong Hort[1].
12PJ07292V
1(3H)-Isobenzofuranone, 3-butylidene-4,5,6,7-tetrahydro-6,7-dihydroxy-, (3Z,6R,7R)-rel- is a natural product found in Ligusticum striatum, Angelica sinensis, and other organisms with data available. See also: Angelica sinensis root oil (part of). Senkyunolide I, isolated from Ligusticum chuanxiong Hort, is an anti-migraine compound. Senkyunolide I protects rat brain against focal cerebral ischemia-reperfusion injury by up-regulating p-Erk1/2, Nrf2/HO-1 and inhibiting caspase 3[1][2]. Senkyunolide I, isolated from Ligusticum chuanxiong Hort, is an anti-migraine compound. Senkyunolide I protects rat brain against focal cerebral ischemia-reperfusion injury by up-regulating p-Erk1/2, Nrf2/HO-1 and inhibiting caspase 3[1][2].
3-Ethoxy-1-(4-hydroxy-3-methoxyphenyl)-1-propanone
2-Hydroxy-4-(2-hydroxyethoxy)-2-methylpropiophenone
(E,2S,3R)-5-[3-hydroxy-2-(hydroxymethyl)phenyl]pent-4-ene-2,3-diol
1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)-2-methyl-1-propanone
(3R,4S)-3,4-dihydroxy-6-methoxy-2,2-dimethyl-chroman|trans-3,4-Dihydroxy-6-methoxy-2,2-dimethyl-chroman
Et ester-6-Ethyl-2,4-dihydroxy-3-methylbenzoic acid
4-Methyl-5-(1-methyl-2-formyloxypropyl)-resorcin|O2-Formyl-3-(3,5-Dihydroxy-2-methylphenyl)-2-butanol
5-[5-[(R)-1-methoxyethyl]furan-2-yl]dihydrofuran-2(3H)-one
(4R)-2,4-dimethyl-4-(1-acetyl-3-oxobutyl)-2-butenolide
2-ethoxy-1-(4-hydroxy-3-methoxy-phenyl)-propan-1-one
butyl 2-(1-hydroxy-4-oxocyclohexa-2,5-dienyl)acetate
(3SR,4RS)-6-(hydroxymethyl)-2,2-dimethyl-3,4-dihydro-2H-chromene-3,4-diol
(+)-(7S,8R)-4-hydroxy-3-methoxy-1,2,3,4,5,6,7-heptanorlign-8-one
4-(4-hydroxy-3-methylbutyloxy)benzoic acid|turraeanthin C
2,6-dimethylheptyl hydrogen sulfate
An alkyl sulfate that is the sulfuric ester of 2,6-dimethylheptan-1-ol.
3-ethoxy-1-(4-hydroxy-3-methoxy-phenyl)-propan-1-one
6R-hydroxy-3-[E-3-hydroxy-3-methyl-but-1-enyl]-6-methylcyclohex-2-ene-1,4-dione|acrimine B
C12H16O4_(3Z)-3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1(3H)-one
C12H16O4_6H-2-Benzopyran-6-one, 1,7,8,8a-tetrahydro-7,8-dihydroxy-3,5,7-trimethyl-, (7S,8S,8aS)
C12H16O4_4-Pentene-2,3-diol, 5-[3-hydroxy-2-(hydroxymethyl)phenyl]-, (2S,3R,4E)
(E,2S,3R)-5-[3-hydroxy-2-(hydroxymethyl)phenyl]pent-4-ene-2,3-diol_major
Pogostone
Pogostone is isolated from patchouli oil?with anti-bacterial and anti-cancer activities.?Pogostone inhibits both gram negative and gram positive bacteria, also show inhibitory effect on corynebacterium xerosis with a MIC value of 0.098 μg/ml [2].?Pogostone induces cell apoptosis and autophagy[2]. Pogostone is isolated from patchouli oil?with anti-bacterial and anti-cancer activities.?Pogostone inhibits both gram negative and gram positive bacteria, also show inhibitory effect on corynebacterium xerosis with a MIC value of 0.098 μg/ml [2].?Pogostone induces cell apoptosis and autophagy[2].
2-hydroxy-3-(4-methoxy-phenyl)-propionic acid ethyl ester
1-(4-CHLORO-3-TRIFLUOROMETHYL-PHENYL)-PYRROLE-2,5-DIONE
2-(1H-indol-3-yl)-2-methylpropan-1-amine,hydrochloride
3-((4-CHLOROPIPERIDIN-1-YL)METHYL)-5-METHYLPYRIDINE
5-Methylthiophene-2-boronic acid pinacol ester
C11H17BO2S (224.10422520000003)
2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
C11H16N2OS (224.09832859999997)
(2-([1,1-BIPHENYL]-4-YL)VINYL)BORONIC ACID
C14H13BO2 (224.10085480000004)
4-Methoxy-2-(1-methylethoxy)benzoic acid methyl ester
3-Methylthiophene-2-boronic acid pinacol ester
C11H17BO2S (224.10422520000003)
2-Methylthiophene-3-boronic acid pinacol ester
C11H17BO2S (224.10422520000003)
4-Methylthiophene-3-boronic acid pinacol ester
C11H17BO2S (224.10422520000003)
2,2-dimethyl-3-hydroxy-3-(p-methoxyphenyl)propionic acid
(R)-3-AMINO-N-METHYL-4-(PHENYLTHIO)BUTANAMIDE
C11H16N2OS (224.09832859999997)
8-METHYL-2-(PYRIDIN-2-YL)IMIDAZO[1,2-A]PYRIDIN-3-AMINE
4-METHYL-6-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-B]-PYRIDIN-3-AMINE
4-Methylthiophene-2-boronic acid, pinacol ester
C11H17BO2S (224.10422520000003)
2-amino-n-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
C11H16N2OS (224.09832859999997)
(S)-2-HYDROXY-3-(4-METHOXY-PHENYL)-PROPIONIC ACID ETHYL ESTER
(4-(ISOPENTYLTHIO)PHENYL)BORONIC ACID
C11H17BO2S (224.10422520000003)
methyl 3-(4-fluorophenyl)pyrazolidine-4-carboxylate
1H-Imidazolium, 1,2-dimethyl-3-(2-propenyl)-, tetrafluoroborate(1-)
C8H13BF4N2 (224.11078559999999)
7H-Pyrrolo[2,3-d]pyrimidin-4-amine,7-(phenylmethyl)-
(2-((Dimethylamino)methyl)-5-nitrophenyl)boronic acid
4-Hydroxy-6-(2-oxoheptyl)pyran-2-one
A pyranone that is 2H-pyran-2-one in which the hydrogens at positions 4 and 6 are substituted by hydroxy and 2-oxoheptyl groups respectively.
(2S)-2,6-dimethylheptyl hydrogen sulfate
The (S)-enantiomer of 2,6-dimethylheptyl hydrogen sulfate.
Phosphonic acid, methyl-, 2-methylpropyl trimethylsilyl ester
Methyl 4-hydroxy-2-methoxy-3,5,6-trimethylbenzoate
3-Pyridinecarboxamide, 1,6-dihydro-1-methyl-6-oxo-N-(trimethylsilyl)-
2,3-Dihydroxybutanedioic acid;propane-1,3-diamine
C7H16N2O6 (224.10083160000002)
7,8-dihydroxy-3,5,7-trimethyl-8,8a-dihydro-1H-isochromen-6-one
2-Amino-5-(diaminomethylideneazaniumyl)-2-(difluoromethyl)pentanoate
Senkyunolide H
Senkyunolide H is a natural compound isolated from Ligusticum chuanxiong Hort[1]. Senkyunolide H is a natural compound isolated from Ligusticum chuanxiong Hort[1]. Senkyunolide I, isolated from Ligusticum chuanxiong Hort, is an anti-migraine compound. Senkyunolide I protects rat brain against focal cerebral ischemia-reperfusion injury by up-regulating p-Erk1/2, Nrf2/HO-1 and inhibiting caspase 3[1][2]. Senkyunolide I, isolated from Ligusticum chuanxiong Hort, is an anti-migraine compound. Senkyunolide I protects rat brain against focal cerebral ischemia-reperfusion injury by up-regulating p-Erk1/2, Nrf2/HO-1 and inhibiting caspase 3[1][2].
(5Z,9Z)-4-hydroxy-12-methyl-1-oxacyclododeca-5,9-diene-2,8-dione
(2R)-2,6-dimethylheptyl hydrogen sulfate
The (R)-enantiomer of 2,6-dimethylheptyl hydrogen sulfate.
ethyl N-[1-(diethylamino)ethylidene]phosphoramidofluoridate
7-Methyloctyl hydrogen sulfate
An alkyl sulfate that is 7-methyloctyl ester of sulfuric acid.
2-(butylthio)-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
C11H16N2OS (224.09832859999997)
N-(prop-2-en-1-yl)-5H-pyrimido[5,4-b]indol-4-amine
3-[(3aS,4S,7aS)-1,5-dioxo-octahydroinden-4-yl]propanoic acid
A dioxo monocarboxylic acid that consists of hydrindane bearing two oxo substituents at positions 1 and 5 and a 2-carboxyethyl substituent at position 4 (3aS,4S,7aS-diastereomer).
6-Methoxy-3-(3-methylbut-2-enyl)benzene-1,2,4-triol
7-Methoxy-2,2-dimethyl-3,4-dihydrochromene-4,5-diol
2-[2-(7H-purin-1-ium-6-ylamino)ethoxy]ethanol
C9H14N5O2+ (224.11474440000003)
2-[(E)-4-hydroxy-3-methylbut-2-enyl]-5-methoxybenzene-1,3-diol
2-[(3,3-Dimethyloxiran-2-yl)methyl]-5-methoxybenzene-1,3-diol
2-Isopropylbenzenethiol, TMS derivative
C12H20SSi (224.10549200000003)
4-Isopropylbenzenethiol, TMS derivative
C12H20SSi (224.10549200000003)
(3-Phenylthiopropyl)trimethylsilane
C12H20SSi (224.10549200000003)
2-Methoxy-3,7-bis(methoxymethyl)cyclohepta-2,4,6-trien-1-one
PhIP
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol
tert-butyl 4-hydroxy-3-methoxybenzoate
A benzoate ester that is tert-butyl benzoate that carries a methoxy group at position 3 and a hydroxy group at position 4 of the phenyl ring.
2,4,6-trihydroxyphenylhexan-1-one
A 2-acylphloroglucinol in which the acyl group is specified as hexanoyl. It is the intermediate biosynthetic precursor for differentiation-inducing factor 1 (DIF-1).
8a-hydroxy-8-methoxy-3,5-dimethyl-3,4-dihydro-1h-2-benzopyran-6-one
3-[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]-5-(hydroxymethyl)-3h-oxepin-2-one
3-ethoxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one
methyl 2-[(1r,2r)-3-methoxy-5-oxo-2-[(1z)-prop-1-en-1-yl]cyclopent-3-en-1-yl]acetate
6-[(2e)-4-hydroxypent-2-en-2-yl]-4-methoxy-3-methylpyran-2-one
4-methoxy-7-propyl-5h,7h,8h-pyrano[3,2-c]pyran-2-one
1-(4-hydroxy-1,3-dihydro-2-benzofuran-1-yl)butane-2,3-diol
methyl (3z,5e)-5-methoxy-2-methyl-7-oxocycloocta-3,5-diene-1-carboxylate
4-hydroxy-3-methyl-6-(3-methyl-2-oxopentyl)pyran-2-one
5-hydroxy-2-(3-hydroxy-3-methylbut-1-en-1-yl)-5-methylcyclohex-2-ene-1,4-dione
6-methoxy-3,7-dimethyl-3,4-dihydro-1h-2-benzopyran-1,8-diol
(7r,8r,8as)-7,8-dihydroxy-3,4,7-trimethyl-8,8a-dihydro-1h-isochromen-6-one
methyl 2-{3-methoxy-5-oxo-2-[(1z)-prop-1-en-1-yl]cyclopent-3-en-1-yl}acetate
(3z,6s,7r)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one
(1s,3r)-6-methoxy-3,7-dimethyl-3,4-dihydro-1h-2-benzopyran-1,8-diol
6-hydroxy-5-(1-hydroxy-2-oxopropyl)-4-(prop-1-en-1-yl)cyclohex-2-en-1-one
1,2,4-trimethoxy-5-(E-3'-methyloxiranyl)benzene
{"Ingredient_id": "HBIN000669","Ingredient_name": "1,2,4-trimethoxy-5-(E-3'-methyloxiranyl)benzene","Alias": "NA","Ingredient_formula": "C12H16O4","Ingredient_Smile": "CC1C(O1)C2=CC(=C(C=C2OC)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34422","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(6r,7r)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one
(2r,3s,4e)-5-[3-hydroxy-2-(hydroxymethyl)phenyl]pent-4-ene-2,3-diol
7,8-dihydroxy-3,4,7-trimethyl-8,8a-dihydro-1h-isochromen-6-one
3-(4-hydroxy-3-methylbut-2-en-1-yl)-5-(hydroxymethyl)-3h-oxepin-2-one
6-(4-hydroxypent-2-en-2-yl)-4-methoxy-3-methylpyran-2-one
methyl (1s,2r,3z,5e)-5-methoxy-2-methyl-7-oxocycloocta-3,5-diene-1-carboxylate
(2r,3s)-1-[(1r)-4-hydroxy-1,3-dihydro-2-benzofuran-1-yl]butane-2,3-diol
(4s,9e,12r)-4-hydroxy-12-methyl-1-oxacyclododeca-5,9-diene-2,8-dione
2-[(3r,4r)-3,4-dihydroxypentyl]-6-hydroxybenzaldehyde
(3s,8as)-8a-hydroxy-8-methoxy-3,5-dimethyl-3,4-dihydro-1h-2-benzopyran-6-one
(4s)-4-[(2r)-2-methyl-5-oxooxolan-2-yl]cyclohex-1-ene-1-carboxylic acid
1-(2,4,6-trihydroxy-3,5-dimethylphenyl)butan-1-one
(1r,3s)-6-methoxy-3,7-dimethyl-3,4-dihydro-1h-2-benzopyran-1,8-diol
(3s,4r)-8-methoxy-3,5-dimethyl-3,4-dihydro-1h-2-benzopyran-4,6-diol
1-(4-hydroxy-3-methylbut-2-en-1-yl)-3-(hydroxymethyl)-6-oxabicyclo[3.2.0]hept-2-en-7-one
(7s)-4-methoxy-7-propyl-5h,7h,8h-pyrano[3,2-c]pyran-2-one
2-(dimethylamino)ethyl n-phenyl-1-sulfanylmethanimidate
C11H16N2OS (224.09832859999997)