Exact Mass: 310.2045
Exact Mass Matches: 310.2045
Found 283 metabolites which its exact mass value is equals to given mass value 310.2045,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
13(S)-Hydroperoxylinolenic acid
13(s)-hydroperoxylinolenic acid, also known as 13(S)-hpotre or 13-hpot, belongs to lineolic acids and derivatives class of compounds. Those are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. Thus, 13(s)-hydroperoxylinolenic acid is considered to be an octadecanoid lipid molecule. 13(s)-hydroperoxylinolenic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 13(s)-hydroperoxylinolenic acid can be found in a number of food items such as grass pea, garden tomato (variety), american butterfish, and black crowberry, which makes 13(s)-hydroperoxylinolenic acid a potential biomarker for the consumption of these food products. . D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
7S,8S-DiHOTrE
ibogaine
An organic heteropentacyclic compound that is ibogamine in which the indole hydrogen para to the indole nitrogen has been replaced by a methoxy group. D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens
Divalproex sodium
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D018692 - Antimanic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D018377 - Neurotransmitter Agents > D018682 - GABA Agents D004791 - Enzyme Inhibitors
(9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
Sterebin A
Sterebin A is isolated from leaves of Stevia rebaudiana (stevia). Isolated from leaves of Stevia rebaudiana (stevia)
12(13)Ep-9-KODE
trans-12,13-epoxy-11-oxo-trans-9-octadecenoic acid is a novel product from 13-L (S)-hydroperoxy-cis-9,trans-11-octadecadienoic acid under degradation of linoleic acid hydroperoxides by a cysteine . FeCl3 catalyst as a model for similar biochemical reactions. III. [HMDB] trans-12,13-epoxy-11-oxo-trans-9-octadecenoic acid is formed from 13-L (S)-hydroperoxy-cis-9,trans-11-octadecadienoic acid by a cysteine • FeCl3 redox couple in the presence of O2 (PMID: 7284410).
(9Z,11R,12S,13S,15Z)-12,13-Epoxy-11-hydroxy-9,15-octadecadienoic acid
Isolated from leaves of rice plants with rice blast disease (Pyricularia oryzae). (9Z,11R,12S,13S,15Z)-12,13-Epoxy-11-hydroxy-9,15-octadecadienoic acid is found in cereals and cereal products. (9Z,11S,12S,13S,12Z)-12,13-Epoxy-11-hydroxy-9,15-octadecadienoic acid is isolated from leaves of rice plants with rice blast disease (Pyricularia oryzae).
(-)-Ibogaine
11-[3-(Dimethylamino)-2-methylpropyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol
(11R,12S,13S)-Epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid
(11r,12s,13s)-epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms (11r,12s,13s)-epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). (11r,12s,13s)-epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid can be found in rice, which makes (11r,12s,13s)-epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid a potential biomarker for the consumption of this food product.
(11S,12S,13S)-Epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid
(11s,12s,13s)-epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms (11s,12s,13s)-epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). (11s,12s,13s)-epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid can be found in rice, which makes (11s,12s,13s)-epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid a potential biomarker for the consumption of this food product.
6-Methylgingediol
6-methylgingediol is a member of the class of compounds known as dimethoxybenzenes. Dimethoxybenzenes are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. 6-methylgingediol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 6-methylgingediol can be found in ginger, which makes 6-methylgingediol a potential biomarker for the consumption of this food product.
Magnesium octanoate
It is used in foods as a binder, emulsifier and anticaking agent.
12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
porrigenic acid
A natural product found in Pleurocybella porrigens.
(2E,6R)-2,6-Dimethyl-8-hydroxy-2-octenoic acid 8-O-[6-O-(E)-p-coumaroyl]-beta-D-glucopyranoside
methyl (2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyltetradeca-2,4,8-trienoate
(2E,3R,4R)-2-(11-dodecenylidene)-3-hydroxy-4-methoxy-4-methylbutanolide
(-)-oploxyne B|10-methoxyheptadeca-4,6-diyne-3,8,9-triol|oploxyne B
(12RS)-(8E,10E)-12-hydroxy-7-oxo-8,10-octadecadienoic acid
3beta,14-dihydroxy-Delta7,8-drimen-11,12-acetonide
hygrophoron D12|hygrophorone D12|trans-4,5-dihydroxy-5-tridecanoyl-2-cyclopenten-1-one
(-)-methyl (2E)-2-[(1R)-1-hydroxy-2-oxopropyl]tetradeca-2,13-dienoate|secoisolitsealiicolide B
4-ethyl-7-methyl-4,4a,5,6,6a,7,12,12a-octahydro-1H,3H-2,6-cyclo-1,11b-methano-pyrido[3,4:4,5]cyclohepta[1,2-b]indol-3-ol|ajmalan-21-ol|Iso-sandwian
Sterebin A
Sterebin A is a sesquiterpenoid. Sterebin A is a natural product found in Stevia rebaudiana with data available.
methyl (2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyltetradeca-2,4,8-trienoate
(E)-4-[(1R,2S,3S,4R,8aS)-2,3,4-trihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-3-en-2-one
(E)-4-[(1R,2S,3S,4R,8aS)-2,3,4-trihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-3-en-2-one_major
methyl (2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyltetradeca-2,4,8-trienoate_major
(E)-4-[(1R,2S,3S,4R,8aS)-2,3,4-trihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-3-en-2-one_21.1\\%
9S-hydroxy-12R,13S-epoxy-10E,15Z-octadecadienoic acid
9S-hydroxy-10S,11S-epoxy-12Z,15Z-octadecadienoic acid
(9Z,11R,12S,13S,15Z)-12,13-Epoxy-11-hydroxy-9,15-octadecadienoic acid
Methyl (2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyl-2,4,8-tetradecatrienoate
trans-2,3-difluror-4-(4-propylcyclohexyl)butoxybenzene
1-Benzyl-4-phenylamino-4-(methoxymethyl)piperidine
3-(6-methoxynaphthalen-2-yl)-3,9-diazaspiro[5.5]undecane
1-(2,2-Diethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
1-(2,2-DIMETHOXY-ETHYL)-3,5-DIMETHYL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-1H-PYRAZOLE
4-(TRANS-4-PROPYLCYCLOHEXYL)-2-FLUORO-4-METHYLBIPHENYL
TRANS-1-ETHOXY-2,3-DIFLUORO-4-(4-PENTYL-CYCLOHEXYL)-BENZENE
2-((3-TERT-BUTYLDIMETHYLSILYLOXY)-1-BUTYN-1-YL)-4,4,5,5-TETRAMETHYL-(1,3,2)DIOXABOROLANE
5-(3,5-Di-sec-butylcyclopent-1-enyl)-5-hydroxy-3-oxovaleric acid
(8r,9z,12z)-8-Hydroxy-6-Oxooctadeca-9,12-Dienoic Acid
(8e,10s,12z)-10-Hydroxy-6-Oxooctadeca-8,12-Dienoic Acid
(6Z,9Z,11E)-13-hydroperoxyoctadeca-6,9,11-trienoic acid
(9R,12Z,15Z)-9-Hydroxy-10-oxo-12,15-octadecadienoic acid
(11E,15Z)-10-Oxo-13-hydroxy-11,15-octadecadienoic acid
(9Z,15Z)-12-Oxo-13-hydroxy-9,15-octadecadienoic acid
(9S,12Z,15Z)-9-Hydroxy-10-oxo-12,15-octadecadienoic acid
(9E,11E,14E)-13-hydroperoxyoctadeca-9,11,14-trienoic acid
[3-carboxy-2-[(2E,5Z,7E)-deca-2,5,7-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,4E,6E)-deca-2,4,6-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,5E,7E)-deca-3,5,7-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,6E,8E)-deca-2,6,8-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,4E,7E)-deca-2,4,7-trienoyl]oxypropyl]-trimethylazanium
(10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
N-(diphenylmethyl)-2-(3-methylbutylamino)acetamide
(13R)-hydroperoxy-(9Z,11E,15Z)-octadecatrienoic acid
(11S)-hydroperoxy-(9Z,12Z,15Z)-octadecatrienoic acid
1-[1-[2-[(2S,5R,6R)-5-amino-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-triazolyl]-1-cyclopentanol
(Z)-10-[(1R,2S,3R,5S)-3-[(1S)-1-hydroxypropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]dec-9-enoic acid
(Z)-10-[(1R,3S,4R,6R,7S)-3-ethyl-6-hydroxy-2-oxabicyclo[2.2.1]heptan-7-yl]dec-9-enoic acid
10-HPO(6,8,12)TrE
A hydroperoxy fatty acid that is (6Z,8E,12Z)-octadecatrienoic acid in which the hydroperoxy group is located at position 10.
10(R)-HPO(6,8,12)TrE
A hydroperoxy fatty acid that is (6Z,8E,12Z)-octadecatrienoic acid in which the hydroperoxy group is located at the 10(R)-position.
(11R)-hydroperoxy-(9Z,12Z,15Z)-octadecatrienoic acid
(3R,5S,8E,10E,12E)-3,5,7-trihydroxynonadeca-8,10,12-trienal
(Z,2R,3R)-2-ethyl-3-hydroxy-7-[2-[(3S)-3-methyl-2-oxopentyl]cyclopropyl]hept-5-enoic acid
(8E,10E,12E)-3,5,7-trihydroxyoctadeca-8,10,12-trienal
(2R,3R)-2-ethyl-3-hydroxy-4-[2-[(Z,6S)-6-methyl-5-oxooct-2-enyl]cyclopropyl]butanoic acid
(8E,10R,12Z,15Z)-10-hydroperoxyoctadeca-8,12,15-trienoic acid
(E,10R)-10-hydroxy-11-[3-[(Z)-pent-2-enyl]oxiran-2-yl]undec-8-enoic acid
(8R,9Z,12Z,15Z)-8-Hydroperoxy-9,12,15-octadecatrienoic acid
(3R,5R)-7-[(1S,2S,4aR,8aS)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
(1R,15S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene
9-Hydroperoxy-10,12,15-octadecatrienoic acid
D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
(1R,15S,17S)-17-ethyl-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene
(5S,6E,8S,9Z,13S,14R)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one
(9E,13E,15E)-12-hydroperoxyoctadeca-9,13,15-trienoic acid
(5S,6Z,8S,13S,14R)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-6,9-dien-2-one
13(s)-hydroperoxy-(9z,11e,15z)-octadecatrienoic acid
A lipid hydroperoxide, obtained by the formal substitution of a hydrogen at position 9 of (9Z,11E,15Z)-octadeca-9,11,15-trienoic acid by a hydroperoxy group (the 13S-stereoisomer). Biochemically, it is an 18-C rearrangement and primary peroxidation product of alpha-linolenic acid, an intermediate in prostaglandin and leukotriene metabolism, and the substrate of the lyase enzyme hydroperoxide dehydratase. D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoate
(8E,10S,12Z,15Z)-10-hydroperoxyoctadeca-8,12,15-trienoic acid
(9Z,11E,13S,14Z)-13-hydroperoxyoctadecatrienoic acid
A hydroperoxyoctadecatrienoic acid that is (9Z,11E,14Z)-octadecatrienoic acid in which the hydroperoxy group is located at position 13S.
(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
1-[4-hydroxy-6-(4-hydroxy-3,5-dimethylhepta-1,5-dien-1-yl)-5-methyloxan-2-yl]propan-2-one
4-(2,3,4-trihydroxy-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalen-1-yl)but-3-en-2-one
2-[(2s,4s,5r)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-3-(2-methoxyethyl)-1h-indole
1,14,14-trimethyl-3,13-diazapentacyclo[13.2.2.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]nonadeca-2(10),4,6,8-tetraen-19-ol
3-(dodec-11-en-1-ylidene)-4-hydroxy-5-methoxy-5-methyloxolan-2-one
(6r)-3-(1-hydroxybutylidene)-6-nonyloxane-2,4-dione
2,3-dihydroxypropyl 3,7,11-trimethyldodeca-2,6,10-trienoate
(15r,17s,19r)-15-ethyl-17-methoxy-1,11-diazapentacyclo[9.6.2.0²,⁷.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-2,4,6,8(18)-tetraene
4',10',10'-trimethyl-11'-azaspiro[indole-3,5'-tricyclo[5.2.2.0⁴,⁸]undecan]-6'-ol
(2e,4e,6e)-2,3-dihydroxyoctadeca-2,4,6-trienoic acid
11-methoxyibogamine
{"Ingredient_id": "HBIN000468","Ingredient_name": "11-methoxyibogamine ","Alias": "NA","Ingredient_formula": "C20H26N2O","Ingredient_Smile": "CCC1CC2CC3C1N(C2)CCC4=C3NC5=C4C=CC(=C5)OC","Ingredient_weight": "310.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "15836","PubChem_id": "44566754","DrugBank_id": "NA"}
19-(z)-taberpsychine
{"Ingredient_id": "HBIN002225","Ingredient_name": "19-(z)-taberpsychine","Alias": "NA","Ingredient_formula": "C20H26N2O","Ingredient_Smile": "CC=C1CN(CCC2=C(C3CC1CCO3)NC4=CC=CC=C24)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "20563","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
20-epi-19,20-dihydro-decarbomethoxy vobasine
{"Ingredient_id": "HBIN003399","Ingredient_name": "20-epi-19,20-dihydro-decarbomethoxy vobasine","Alias": "NA","Ingredient_formula": "C20H26N2O","Ingredient_Smile": "CCC1(CN(C2CC1CC(=O)C3=C(C2)C4=CC=CC=C4N3)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6892","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
