Exact Mass: 322.248376
Exact Mass Matches: 322.248376
Found 421 metabolites which its exact mass value is equals to given mass value 322.248376,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
2alpha-(Hydroxymethyl)-5alpha-androstane-3beta,17beta-diol
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.
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.
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
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
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
17alpha-methyl-5beta-androstane-3alpha,12beta,17beta-triol
(1S,2E,4R,7R)-11,12-epoxy-2,8(19)-cembradiene-4,7-diol
3-hydroxy-3,7,11-trimethyldodeca-1,6E,10-trien-9-yl 2-methylbutyrate
(-)-Kauran-3alpha,17,19-triol|16alpha-(-)-Kauran-3alpha,17,19-triol|16alpha-(-)-Kaurantriol-(3alpha,17,19)
8,10,18-Trihydroxy-2,6-dolabelladien|8,10,18-Trihydroxy-2,6-dolabelladiene
(ent-2alpha, 15xi)-8(14)-Pimarene-2, 15, 16-triol|2beta,15,16-trihydroxy-ent-pimar-8(14)-ene
(1S,2E,4R,6R,7E,10E,12S)-2,7,10-cembratriene-4,6,12-triol
(1S,2E,4R,6E,8S,11S,12S)-11,12-epoxy-2,6-cembradiene-4,8-diol|(1S,2E,4R,6E,8S,11S,12S)-11,12-epoxy-2,6-cembrane-4,8-diol
(betaxi,1S,2R,4aR,6S,8aR)-decahydro-6-hydroxy-beta,1,2,4a-tetramethyl-5-methylenenaphthalene-1-pentanoic acid|3beta-hydroxyclerod-4(18)-en-15-oic acid
(ent-3beta,4alpha,13E)-3,4-Dihydroxy-13-cleroden-15-al|3R*,4R*-dihydroxyclerod-13E-en-15-al
(8S*)-hydroperoxy-(13S*)-hydroxy-9(11),14-labdadiene
(5S,6S,8R,9S,10R,13S)-5,6,17-trihydroxy-ent-ros-15-ene|cuzcol
(1S*,4S*,2E,7E,11E)-1,4,15-trihydroxycembra-2,7,11-triene|crassumol A
methyl (+)-(3R,4E,6Z,15E)-3-methoxyoctadeca-4,6,15-trienoate
(1S,2E,4R,6E,8R,11S,12R)-8,12-epoxy-2,6-cembradiene-4,11-diol
9,13:15,16-diepoxylabdan-15-ol|labd-9,13,15,16-diepoxy-15alpha-ol
(1R,3S,7E,11S,12R)-3-hydroperoxydolabella-4(16),7-dien-18-ol
(ent-7alpha,16beta)-7,16,17-Kauranetriol|ent-7alpha,16beta,17-trihydroxykaurane
(1S,3Z,7S,8S,11S,12S)-(+)-7,8-epoxyverticill-3-en-12,20-diol
(1R,3R,4R,8R,12R)-6,11-diketocembra-15(17)-en-3-ol|(8R)-plexaurolone|plexaurolone
7alpha,8beta,11alpha-Trihydroxysandaracopimar-15-ene
(1S,2E,4S,6R,7E,11S,12S)-11,12-epoxy-2,7-cembradien-4,6-diol|(1S,2E,4S,6R,7E,11S,12S)-11,12-epoxy-2,7-cembradiene-4,6-diol
(ent-11beta,15()-4(18)-erythroxylene-11,15,16-triol|(ent-11beta,15xi)-4(18)-erythroxylene-11,15,16-triol|ent-dolabr-4(18)-en-11beta,15xi,16-triol
(-)-17-hydroxy-neo-clerod-3-en-15-oic-acid|(ent-13?鈥?-form-17-Hydroxy-3-cleroden-15-oic acid
ent-isopimar-15-en-6alpha,7alpha,8alpha-triol|ent-Isopimar-15-en-6??,7??,8??-triol
(ent-4beta,8alphaH,13Z)-4-Hydroxy-13-cleroden-15-oic acid
(1S,2E,4R,6R,7E,11R,12R)-11,12-epoxy-2,7-cembradiene-4,6-diol
(12E,14E,17E)-11-hydroxyicosa-12,14,17-trienoic acid
ent-3beta,7beta-Dihydroxy-8(17),13-labdadien-15-oic acid
17alpha-methyl-5alpha-androstane-3beta,6alpha,17beta-triol
16-Me ether-(3beta,5alpha,16alpha,17beta)-Androstane-3,16,17-triol
(1S,2E,4S,6R,7E,11R,12R)-11,12-epoxy-2,7-cembradiene-4,6-diol
(1S*, 2E, 4S*, 7R*, 8R*, 10R*, 11*, 12S*)-10,18-dihydroxy-7,8-epoxy-dolabella-2-ene
8,10,13(15)-Lobatriene-16,17,18-triol|loba-8,10,13(15)-trien-16,17,18-triol
1beta,7alpha,8beta-Trihydroxysandaracopimar-15-ene
(1S,2E,4S,6R,7E,11Z)-2,7,11-cembratriene-4,6,20-triol
1alpha,5alpha-Dihydroxymanoyl oxide|1alpha,5alpha-dihydroxymanoyloxide
17(13→14)-Abeo-ent-3S*,13S*,16-trihydroxystrob-8(15)-ene
Darutigenol
Darutigenol is a natural product found in Sigesbeckia orientalis, Indocypraea montana, and Palafoxia arida with data available.
kaurane-3,16,17-triol
5-[(1S,2R,4aR)-5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoic acid
C20H34O3_1-Naphthalenecarboxylic acid, decahydro-5-(5-hydroxy-3-methylpentyl)-1,4a-dimethyl-6-methylene-, (1R,4aS,5R,8aS)
C20H34O3_2-Butene-1,4-diol, 2-[2-[(1S,8aR)-1,4,4a,5,6,7,8,8a-octahydro-2-(hydroxymethyl)-5,5,8a-trimethyl-1-naphthalenyl]ethyl]-, (2Z)
(1R,4aS,5R,8aS)-5-(5-hydroxy-3-methylpentyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
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
Pacificanone A
A polyketide isolated from the marine actinomycete Salinispora pacifica.
(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol_major
5(S)-HETrE
A 5-HETrE consisting of (6E,8Z,11Z)-icosatrienoic acid in which the 5-hydroxy group has S-configuration.
15(S)-HETRE
A 15-HETrE consisting of (8Z,11Z,13E)-icosatrienoic acid in which the 15-hydroxy group has S-configuration.
15-OxoEDE
An oxoeicosadienoic acid that consists of 11Z,13E-oxoeicosadienoic acid with the oxo substituent located at position 15.
10,13-Epoxy-11,12-dimethyloctadeca-10,12-dienoic acid
Austroinulin
A natural product found in Blumea balsamifera.
1,6,10,14-Phytatetraene-3,5,9-triol
(1R,4aS,5R,8aS)-5-(5-Hydroxy-3-methylpentyl)-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid
15-HETrE
A hydroxyeicosatrienoic acid that consists of 8Z,11Z,13E-icosatrienoic acid bearing an additional 15-hydroxy substituent.
5-HETrE
A hydroxyeicosatrienoic acid that consists of 6E,8Z,11Z-eicosatrienoic acid bearing a 5-hydroxy substituent.
8-HETrE
A hydroxyeicosatrienoic acid that consists of 9E,11Z,14Z-eicosatrienoic acid bearing an 8-hydroxy substituent.
N-((6-((DI-TERT-BUTYLPHOSPHINO)METHYL)PYRIDIN-2-YL)METHYL)-N-ETHYLETHANAMINE
5-propyl-2-[4-(4-propylcyclohexyl)phenyl]pyrimidine
(1S,2E,4S,6R,7E,11S)-2,7,12(20)-Cembratriene-4,6,11-triol
(1S,2E,4R,6R,7E,11S)-Cembra-2,7,12(20)-triene-4,6,11-triol
(1S,2E,4S,6R,7E,11R)-Cembra-2,7,12(20)-triene-4,6,11-triol
[1R-(1R*,3R*,4E,7E,9R*,12R*,13E)]-1,5,9-Trimethyl-12-(1-methylethyl)-4,7,13-cyclotetradecatriene-1,3,9-teiol
(1R,2E,4S,6E,8R,11S,12S)-Cembra-2,6-dien-8,12-epoxybridged-4,11-diol
(1S,2E,4S,6E,8R,11S,12R)-8,11-Epoxy-2,6-cembradiene-4,12-diol
(1S,2E,4R,6R,7E,11S,12S)-Cembra-2,7-dien-4,6-diol-11,12-epoxide
(1S,2E,4S,6R,7E,11S,12S)-11,12-Epoxy-2,7-cembradiene-4,6-diol
(1S,2E,4S,6R,7E,10E,12S)-2,7,10-Cembratriene-4,6,12-triol
(1S,2E,4S,6R,7E,10E,12R)-Cembra-2,7,10-triene-4,6,12-triol
(1S,2E,4R,6E,8S,11S)-2,6,12(20)-Cembratriene-4,8,11-triol
1-CIS-1,2-BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PENTENE
3,7,11,15-Tetramethyl-1,6,10,14-hexadecatetrene-3,5,9-triol
(1R,3R,3aS,4S,6Z,7R,9aR,10aR)-1-(hydroxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d]cyclooctene-3,4-diol
(1S,2R,3R,4S,4aR,8aR)-3,4a,8,8-tetramethyl-4-[(2Z)-3-methylpenta-2,4-dienyl]-2,4,5,6,7,8a-hexahydro-1H-naphthalene-1,2,3-triol
(Z)-2-[2-[(1S,8aR)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl]but-2-ene-1,4-diol
7alpha-Hydroperoxy manool
A labdane diterpenoid that is labda-8(17),14-diene substituted by a (R)-hydroxy group at position 13 and an alpha-hydroperoxy group at position 7. Isolated from the aerial parts of Aster spathulifolius, it exhibits moderate cytotoxicity against human cancer cells.
19-HETrE
A HETrE that is (5Z,8Z,11Z)-icosatrienoic acid substituted at position 19 by a hydroxy group.
20-HETrE
A HETrE that is (5Z,8Z,11Z)-icosatrienoic acid substituted at position 20 by a hydroxy group.
17alpha-Methyl-5alpha-androstane-3beta,11beta,17beta-triol
5-[(1S,2R,4aR)-5-(Hydroxymethyl)-1,2,4a-trimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]-3-methylpentanoic acid
12(S)-HETrE
A HETrE that is (8Z,10E,14Z)-icosatrienoic acid in which the hydroxy group is located at the 12(S)-posiiton.
(8Z,11Z,13E)-15-hydroxyicosa-8,11,13-trienoic acid
OxoEDE
An oxo fatty acid that is obtained by oxidation of the allylic hydroxy of any hydroxyeicosadienoic acid during its metabolism.
HETrE
A long-chain polyunsaturated fatty acid that is any icosatrienoic acid bearing a single hydroxy substituent. An oxidation product of icosatrienoic acid metabolism.