Exact Mass: 322.2273
Exact Mass Matches: 322.2273
Found 500 metabolites which its exact mass value is equals to given mass value 322.2273
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(S)-[8]-Gingerol
(8)-Gingerol is a beta-hydroxy ketone, a member of phenols and a monomethoxybenzene. (8)-Gingerol is a natural product found in Zingiber officinale with data available. See also: Ginger (part of). (S)-[8]-Gingerol is found in ginger. (S)-[8]-Gingerol is a constituent of ginger, the rhizome of Zingiber officinale. Constituent of ginger, the rhizome of Zingiber officinale. (S)-[8]-Gingerol is found in herbs and spices and ginger. 8-Gingerol, found in the rhizomes of ginger (Z. officinale) with oral bioavailability, activates TRPV1, with an EC50 of 5.0 μM. 8-Gingerol inhibits COX-2, and inhibits the growth of H. pylori in vitro[1][2]. 8-Gingerol, found in the rhizomes of ginger (Z. officinale) with oral bioavailability, activates TRPV1, with an EC50 of 5.0 μM. 8-Gingerol inhibits COX-2, and inhibits the growth of H. pylori in vitro[1][2].
Rapanone
Rapanone is a member of dihydroxy-1,4-benzoquinones. Rapanone is a natural product found in Badula barthesia, Ardisia crenata, and other organisms with data available. Rapanone is a natural benzoquinone. Rapanone exhibits a broad spectrum of biological actions, including anti-tumor, antioxidant, anti-inflammatory, antibacterial and antiparasitic. Rapanone also is a potent and selective human synovial PLA2 inhibitor, with an IC50 of 2.6 μM[1][2][3][4]. Rapanone is a natural benzoquinone. Rapanone exhibits a broad spectrum of biological actions, including anti-tumor, antioxidant, anti-inflammatory, antibacterial and antiparasitic. Rapanone also is a potent and selective human synovial PLA2 inhibitor, with an IC50 of 2.6 μM[1][2][3][4]. Rapanone is a natural benzoquinone. Rapanone exhibits a broad spectrum of biological actions, including anti-tumor, antioxidant, anti-inflammatory, antibacterial and antiparasitic. Rapanone also is a potent and selective human synovial PLA2 inhibitor, with an IC50 of 2.6 μM[1][2][3][4].
2alpha-(Hydroxymethyl)-5alpha-androstane-3beta,17beta-diol
monacolin L acid
A polyketide obtained by hydrolysis of the pyranone ring of monacolin L.
Cyclooctatin
A diterpenoid characterized by a 5-8-5 dodecahydrodicyclopenta[a,d]cyclooctene fused-ring system, with a single double bond and one isopropyl, two hydroxy, one hydroxymethyl and two methyl substituents.
Aprindine
Aprindine is only found in individuals that have used or taken this drug. It is a cardiac depressant used in arrhythmias. [PubChem] C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BB - Antiarrhythmics, class ib D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D049990 - Membrane Transport Modulators
Austroinulin
Austroinulin is isolated from Stevia rebaudiana (stevia). Isolated from Stevia rebaudiana (stevia)
3,4-Dimethyl-5-pentyl-2-furannonanoic acid
3,4-dimethyl-5-pentyl-2-furannonanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 3,4-dimethyl-5-pentyl-2-furannonanoic acid, in particular, can be described by the shorthand notation 9D5. This refers to its 9-carbon carboxyalkyl moiety, the dimethyl substitutions in the 3- and 4-positions of its furan moiety, and its 5-carbon alkyl moiety.
3,4-Dimethyl-5-propyl-2-furanundecanoic acid
3,4-dimethyl-5-propyl-2-furanundecanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 3,4-dimethyl-5-propyl-2-furanundecanoic acid, in particular, can be described by the shorthand notation 11D3. This refers to its 11-carbon carboxyalkyl moiety, the dimethyl substitutions in the 3- and 4-positions of its furan moiety, and its 3-carbon alkyl moiety.
15(S)-Hydroxyeicosatrienoic acid
15(S)-hydroxyeicosatrienoic acid (15S-HETrE) is the in vivo metabolite of gamma-linolenic acid, a polyunsaturated fatty acid that have been reported to modulate arachidonic acid (AA) metabolism and tumorigenesis. 15S-HETrE suppress cyclooxygenase-2 (COX-2) over expression and/or Prostaglandin E2 (PGE2) biosynthesis (PMID 15197770), and inhibits [(3)H]thymidine uptake in parallel with the upregulation of peroxisome proliferator-activated receptor-gamma expression (a growth modulating nuclear receptor, PPARgamma). (PMID 12445673) [HMDB] 15(S)-hydroxyeicosatrienoic acid (15S-HETrE) is the in vivo metabolite of gamma-linolenic acid, a polyunsaturated fatty acid that have been reported to modulate arachidonic acid (AA) metabolism and tumorigenesis. 15S-HETrE suppress cyclooxygenase-2 (COX-2) over expression and/or Prostaglandin E2 (PGE2) biosynthesis (PMID 15197770), and inhibits [(3)H]thymidine uptake in parallel with the upregulation of peroxisome proliferator-activated receptor-gamma expression (a growth modulating nuclear receptor, PPARgamma). (PMID 12445673).
8-HETrE
8(S)-HETrE is a monohydroxy polyunsaturated fatty acid produced by rabbit neutrophil lipoxygenase when dihomo-γ-linolenic acid is used as a substrate. Although the biological activities of 8(S)-HETrE have not been well characterized, it is expected to behave similarly to 8(S)-HETE.
12R-hydroxy-5Z,8Z,12Z-eicosatrienoic acid
12R-hydroxy-5Z,8Z,12Z-eicosatrienoic acid, also known as 12(R)DH-HETE, is classified as a member of the Hydroxyeicosatrienoic acids. Hydroxyeicosatrienoic acids are eicosanoic acids with an attached hydroxyl group and three CC double bonds. 12R-hydroxy-5Z,8Z,12Z-eicosatrienoic acid is considered to be practically insoluble (in water) and acidic. 12R-hydroxy-5Z,8Z,12Z-eicosatrienoic acid is an eicosanoid lipid molecule
12(S)-HETrE
12(S)-HETrE is also known as (12S)-Hydroxy-(8Z,10E,14Z)-eicosatrienoic acid or 12S-HETrE. 12(S)-HETrE is considered to be practically insoluble (in water) and acidic
5-Heptyl-3,4-dimethyl-2-furanheptanoic acid
5-Heptyl-3,4-dimethyl-2-furanheptanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 5-Heptyl-3,4-dimethyl-2-furanheptanoic acid, in particular, can be described by the shorthand notation 7D7. This refers to its 7-carbon carboxyalkyl moiety, the dimethyl substitutions in the 3- and 4-positions of its furan moiety, and its 7-carbon alkyl moiety. It has been identified in the crayfish hepatopancreas.
5-Hexyl-3-methyl-2-furannonanoic acid
5-Hexyl-3-methyl-2-furannonanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 5-Hexyl-3-methyl-2-furannonanoic acid, in particular, can be described by the shorthand notation 9M6. This refers to its 9-carbon carboxyalkyl moiety, the methyl substitution in the 3-position of its furan moiety, and its 6-carbon alkyl moiety. It has been identified in the crayfish hepatopancreas.
Potassium octadecanoate
It is used in foods as a binder, emulsifier, anticaking agent, defoaming agent and masticatory substance.
ent-8beta,16-Dihydroxy-17-nor-6,13E-labdadien-15-oic acid
11,15,16-Trihydroxy-9,10-seco-ent-labda-8E,13Z,10(20)-triene
2,14-Dihydroxy-2,6,10,14-tetramethyl-3,10,15-hexadecatrien-5-one
Pacificanone B
A polyketide isolated from the marine actinomycete Salinispora pacifica.
Decahydro-alpha,4a-dimethyl-8-methylene-7-(2-methyl-1-oxopropoxy)-2-naphthaleneacetic acid
(1alpha,2beta,4abeta,5beta,8aalpha)-(+-)-decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-1,5-naphthalenediol diacetate
11,16-Dihydroxy-10beta,20-epoxy-9,10-seco-ent-labda-8E,13Z-diene
[2S-[2alpha,3alpha,4abeta,5beta(S*),8aalpha]]-1,2,3,4,4a,5,8,8a-Octahydro-5-(3-hydroxy-3-methyl-4-pentenyl)-1,1,4a,6-tetramethyl-2,3-naphthalenediol
11,15-Dihydroxy-10beta,20-epoxy-9,10-seco-ent-labda-8E,13E-diene
(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol
(1S,2E,4S,6E,8S,11S)-2,6,12(20)-cembratriene-4,8,11-triol
(4S,5S,6R,8S,9R,10S,13R)-9,13-epoxy-14-labden-6,19-diol
17alpha-methyl-5beta-androstane-1beta,3alpha,17beta-triol
(13S)-ent-7beta-hydroxy-3-cleroden-15-oic acid|(13S)-ent-7??-Hydroxy-3-cleroden-15-oic acid
methyl 12-acetoxy-13,14,15,16-tetranor-1(10)-ent-halimen-18-oate
3alpha,14beta,16alpha-trihydroxy-ent-kaurane|3alpha,14beta,16beta-trihydroxy-ent-kaurane|taihangexcisoidesin A
(1S,2E,4R,6E,8S,10E,12S)-2,6,10-cembratriene-4,8,12-triol
(1S*,2E,4R*,6R*,7E,10S*,11E)-2,7,11-Cembatriene-4,6,10-triol
(1S,2E,4S,6R,7E,11E,13R)-2,7,11-cembratriene-4,6,13-triol
14-hydroxy-15-norlabd-8(17)-en-19-oic acid methyl ester
(1S,3Z,7S,11S,12S)-(+)-verticilla-3,8(19)-dien-7,12,20-triol
1beta,16alpha,17-trihydroxy-ent-kaurane|1??,16??,17-Trihydroxy-ent-kaurane
3alpha-15-Rosene-3,5,19-triol|ent-Rimuen-3alpha,5beta,18-triol
2-(1,2-Dihydroxyethyl)-2,4a,8,8-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-4-ol
(1S,2E,4S,6E,11S,12R)-8,11-Epoxy-2,6-thunbergadien-4,12-diol|(1S,2E,4S,6E,8R,11S,12R)-8,11-epoxy-2,6-cembradiene-4,12-diol
(1S,2E,4S,6R,7E,11R)-2,7,12(20)-cembratriene-4,6,11-triol|(1S,2E,4S,6R,7E,11S)-2,7,12(20)-cembratriene-4,6,11-triol
(1E,3E,7beta,8alpha,12beta)-8,11-Epoxy-1,3-cembradiene-7,12-diol
(1R,3E,6R,7E,11R,12R)-3,7-Dolabelladiene-6,12-diol
4,5-epoxyxeniaphyll-8(19)-en-14,15-diol|Epoxyxeniaphyllandiol
(ent-7alpha,15S)-4(18)-Erythroxylene-7,15,16-triol|ent-dolabr-4(18)-ene-7alpha,15S,16-triol
ent-labda-13(16),14-diene-1beta,8alpha,9beta-triol|ent-Labda-13(16),14-diene-1??,8??,9??-triol
1beta,15(S)-isopimar-7-en-1,15,16-triol|ceriopsin C|isopimar-7-ene-1-beta,15S,16-triol
N(1)-methyl-14,15-didehydro-12-methoxyaspidofractinine
ent-6alpha,7beta,8alpha-trihydroxylabda-13(16),14-diene
(1S,2E,4S,6R,7S,8S,11E)-7,8-epoxy-2,11-cembradiene-4,6-diol
(1R,3Z,8xi,11Z)-15-hydroxycembra-3,11-dien-19-oic acid
ent-15xi,16-dihydroxypict-4(18)-en-5-one|ent-15xi,16-dihydroxypict-4(18)en-5-one
anomalone B|methyl 8-((1S,5S)-5-((S,E)-2-hydroxypent-3-enyl)-4-oxocyclopent-2-enyl)octanoate
anomalone A|methyl 8-((1S,5R)-1-hydroxy-4-oxo-5-((Z)-pent-2-enyl)cyclopent-2-enyl)octanoate
5-O-ethyl embelin
A member of the class of monohydroxy-1,4-benzoquinones that is embelin in which the hydroxy group at position 5 is replaced by a ethoxy group. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antineoplastic activity.
2-(Hydroxymethyl)-2,5-dimethyl-4-hydroxy-6-(2-ethoxyethyl)-7-ethoxymethylindan
(2S,3R,5S,9R,10S,13S)-16-nor-2,3-dihydroxy-ent-pimar-8(14)-en-15-oic acid|norflickinflimiod A
Me ester-(10E,12Z,14E,16RS)-16-Hydroxy-9-oxo-10,12,14-octadecatrienoic acid
3-[(7-Hydroxy-1-hexadecene-3,5-diynyl)oxy]-1,2-propanediol
2-(9-Oxoundecyl)-3,5-dimethyl-6-methoxy-4H-pyran-4-one
(1S,2E,4R,6R,7E,11R,12R)-11,12-epoxy-2,7-cembradiene-4,6-diol
ent-19-nor-4,16,18-trihydroxy-8(14)-pimaren-15-one
(ent-16alphaOH)-16,17-Dihydroxy-19-nor-18-kauranoic acid|16beta,17-dihydroxy-19-nor-ent-kauran-18-oic acid
Di-Me ester-ent-14,15,16-Trionor-3-clerdene-13,18-dioic acid|nor-hardwickiic acid methyl ester
8-hydroxy-14-oxo-15-nor-labd-13(16)-en-19-oic acid
1-(3,5-dihydroxyphenyl)-12-hydroxytridecan-2-one
Bis(2-ethylhexyl)phosphate
CONFIDENCE standard compound; INTERNAL_ID 2477 CONFIDENCE standard compound; INTERNAL_ID 8833
APRINDINE
C - Cardiovascular system > C01 - Cardiac therapy > C01B - Antiarrhythmics, class i and iii > C01BB - Antiarrhythmics, class ib D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D049990 - Membrane Transport Modulators
N-[4-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-2-yl]-2,2-dimethyl-propionamide
1-BOC-3-[(2-FLUORO-BENZYLAMINO)-METHYL]-PIPERIDINE
1-BOC-3-[(3-FLUORO-BENZYLAMINO)-METHYL]-PIPERIDINE
1-BOC-3-[(4-FLUORO-BENZYLAMINO)-METHYL]-PIPERIDINE
5-propyl-2-[4-(4-propylcyclohexyl)phenyl]pyrimidine
Nonylphenol, ethoxylated, carboxylated, sodium salt
trans-4-Ethoxy-4-(4-propylcyclohexyl)-1,1-biphenyl
4,4,5,5-Tetramethyl-2-(4-n-octyl-2-thienyl)-1,3,2-dioxaborolan
2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-octylthiophene
1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
TERT-BUTYL 3,5-DIMETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE-1-CARBOXYLATE
1-CIS-1,2-BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PENTENE
23513-08-8
8-Gingerol, found in the rhizomes of ginger (Z. officinale) with oral bioavailability, activates TRPV1, with an EC50 of 5.0 μM. 8-Gingerol inhibits COX-2, and inhibits the growth of H. pylori in vitro[1][2]. 8-Gingerol, found in the rhizomes of ginger (Z. officinale) with oral bioavailability, activates TRPV1, with an EC50 of 5.0 μM. 8-Gingerol inhibits COX-2, and inhibits the growth of H. pylori in vitro[1][2].
N-methyl-2-phenyl-N-[1-phenyl-2-(1-pyrrolidinyl)ethyl]acetamide
2alpha-(2-Pyrrolyl)-4alpha-methoxycarbonyl-5beta-[(2-methyl)-heptyl]-1,3-oxazacyclohexane
An oxazinane alkaloid that is methyl (4S)-1,3-oxazinane-4-carboxylate substituted by a (1H-pyrrol-2-yl group at position 2 and a 2-methylheptyl group at position 5. Isolated from Celastrus angulatus, it exhibits cytotoxic activity.
Smaditerpenic acid C
A diterpenoid isolated from the leaves of Smallanthus sonchifolius.
2,3-dihydroxypropyl (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
Methyl 2,6-dimethyl-9-(N-methylpiperazinylcarbamoyl)-2,6-nonadienoate
2,3-dihydroxypropyl (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate
8-GINGEROL
(8)-Gingerol is a beta-hydroxy ketone, a member of phenols and a monomethoxybenzene. (8)-Gingerol is a natural product found in Zingiber officinale with data available. See also: Ginger (part of). 8-Gingerol, found in the rhizomes of ginger (Z. officinale) with oral bioavailability, activates TRPV1, with an EC50 of 5.0 μM. 8-Gingerol inhibits COX-2, and inhibits the growth of H. pylori in vitro[1][2]. 8-Gingerol, found in the rhizomes of ginger (Z. officinale) with oral bioavailability, activates TRPV1, with an EC50 of 5.0 μM. 8-Gingerol inhibits COX-2, and inhibits the growth of H. pylori in vitro[1][2].
5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one
1-[(2r,4as,4br,8s,8ar)-8-hydroxy-8-(hydroxymethyl)-2,4b-dimethyl-4,4a,5,6,7,8a,9,10-octahydro-3h-phenanthren-2-yl]-2-hydroxyethanone
2-methoxy-3,5-dimethyl-6-(10-oxoundecyl)pyran-4-one
2-{8-[(acetyloxy)methyl]-1,5,5-trimethylbicyclo[4.2.1]non-7-en-9-yl}ethyl acetate
1-[5,6-dihydroxy-1,8-dimethyl-2-(sec-butyl)-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]-3-hydroxyprop-2-en-1-one
(2e,6e,10e)-12-(acetyloxy)-2,6,10-trimethyldodeca-2,6,10-trien-1-yl acetate
(1r,4ar,5r,5's,8as)-5-hydroxy-2,5,5',8a-tetramethyl-4a,6,7,8-tetrahydro-4h-spiro[naphthalene-1,2'-oxolan]-5'-ylacetic acid
2-hydroxy-5-methoxy-6-methyl-3-undecylcyclohexa-2,5-diene-1,4-dione
[(1s,4as,8s,8as)-8-(acetyloxy)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methyl acetate
9'-oxopodopyrone
{"Ingredient_id": "HBIN014177","Ingredient_name": "9'-oxopodopyrone","Alias": "NA","Ingredient_formula": "C19H30O4","Ingredient_Smile": "CCC(=O)CCCCCCCCC1=C(C(=O)C(=C(O1)OC)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16397","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}