Exact Mass: 310.199448
Exact Mass Matches: 310.199448
Found 500 metabolites which its exact mass value is equals to given mass value 310.199448,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cannabinol
C308 - Immunotherapeutic Agent > C574 - Immunosuppressant
Mestranol
Mestranol is only found in individuals that have used or taken this drug. It is the 3-methyl ether of ethinyl estradiol. It must be demethylated to be biologically active. It is used as the estrogen component of many combination ORAL contraceptives. [PubChem]Mestranol is the 3-methyl ether of ethinylestradiol. Ethinylestradiol, is a synthetic derivative of estradiol. Ethinylestradiol is orally bio-active and the estrogen used in almost all modern formulations of combined oral contraceptive pills. It binds to (and activates) the estrogen receptor. Mestranol is a biologically inactive prodrug of ethinylestradiol to which it is demethylated in the liver with a conversion efficiency of 70\\%.Estrogens diffuse into their target cells and interact with a protein receptor. Target cells include the female reproductive tract, the mammary gland, the hypothalamus, and the pituitary. Estrogens increase the hepatic synthesis of sex hormone binding globulin (SHBG), thyroid-binding globulin (TBG), and other serum proteins and suppress follicle-stimulating hormone (FSH) from the anterior pituitary. The combination of an estrogen with a progestin suppresses the hypothalamic-pituitary system, decreasing the secretion of gonadotropin-releasing hormone (GnRH). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
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
9S-HpOTrE
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
Botrydial
A cytotoxic fungal metabolite isolated from plant tissues infected by phytopathogen Botrytis cinerea.
Menaquinol
This compound belongs to the family of Sesquiterpenes. These are terpenes with three consecutive isoprene units.
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
Gestodene
Gestodene is only found in individuals that have used or taken this drug.Gestodene is a progestogen hormonal contraceptive. Products containing gestoden include Meliane, which contains 20 mcg of ethinylestradiol and 75 mcg of gestodene; and Gynera, which contains 30 mcg of ethinylestradiol and 75 mcg of gestodene. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
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).
3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide
3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide is found in green vegetables. 3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot). 3b-Hydroxy-6b,8a-dimethoxy-7(11)-eremophilen-12,8-olide is found in green vegetables.
Auxin b
Claimed isoln. from peanut and corn oils. Auxin b is found in cereals and cereal products and nuts. Auxin b is found in cereals and cereal products. Claimed isolation from peanut and corn oils.
Valdiate
Constituent of Valeriana officinalis variety sambucifolia. Valdiate is found in tea, fats and oils, and herbs and spices. Valdiate is found in fats and oils. Valdiate is a constituent of Valeriana officinalis var. sambucifolia.
(-)-Ibogaine
(17R)-17-Hydroxy-13-methyl-17-prop-2-enyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
11-[3-(Dimethylamino)-2-methylpropyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol
Pamatolol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
Plomestane
(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.
N-Methylnuciferine
8beta-Acetoxy-9(12)-capnellene-8beta,10alpha,14-triol
8beta-acetoxy-9(12)-capnellene-2beta,5alpha,10alpha-triol
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
Cannabinodiol
Cannabinodiol is a natural product found in Cannabis sativa with data available. See also: Cannabis sativa subsp. indica top (part of).
2-dodecoxyethyl hydrogen sulfate
C14H30O5S (310.18138500000003)
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials
methyl (2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyltetradeca-2,4,8-trienoate
2beta-acetoxy-Delta9(12)-capnellene-5alpha,8beta,10alpha-triol
Azuleno[5,6-c]furan-3(1H)-one, 8-ethoxy-4,4a,5,6,7,7a,8,9-octahydro-1,4-dihydroxy-6,6,8-trimethyl-
3alpha-acetoxy-4alpha-hydroxyeudesm-11(13)-en-12-oic acid
(2E,3R,4R)-2-(11-dodecenylidene)-3-hydroxy-4-methoxy-4-methylbutanolide
2-(1-Ethoxy-2-hydroxy)propyl-4-methoxyphenol-2-methyl-butyrate
(-)-oploxyne B|10-methoxyheptadeca-4,6-diyne-3,8,9-triol|oploxyne B
(1S*,4R*,5S*,8S*)-5-hydroxy-4-[(E)-7-hydroxy-4-methylhept-3-enyl]-4,8-dimethyl-3-oxabicyclo[3.3.0]octan-2,6-dione|gomadalactone C
(12RS)-(8E,10E)-12-hydroxy-7-oxo-8,10-octadecadienoic acid
(1beta,8beta)-11-(acetyloxy)-1,8-dihydroxyguai-4-en-3-one|(5S,6R,8S,8aS)-5-[1-(acetyloxy)-1-methylethyl]-4,5,6,7,8,8a-hexahydro-6,8a-dihydroxy-3,8-dimethylazulen-2(1H)-one
4beta-Hydroxy-6alpha-acetoxy-11,13-dihydro-5,7alphaH,8,11betaH-eudesman-8,12-olide
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
(1E,5E)-8beta-acetoxy-4-alpha-hydroxy-7-betaH-germacra-1(10),5-dien-14-oic acid|(1E,5R,6E,8R,9R)-9-(acetyloxy)-5-hydroxy-5-methyl-8-(propan-2-yl)cyclodeca-1,6-diene-1-carboxylic acid
(1beta,4Z,6beta,8alpha)-8-(acetyloxy)-1,10-dihydroxy-6,11-cyclogermacr-4-en-15-al|isovalerianin A|rel-9-(acetyloxy)-6,7-dihydroxy-7,11,11-trimethylbicyclo[8.1.0]undec-2-ene-3-carboxaldehyde
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
11-peroxy-8-oxo-9,10E-dehydro-10,11-dihydronerolidol acetate
(5S)-5-hydroxy-1-(4,5-dihydroxy-3-methoxyphenyl)-decan-3-one|5-hydroxy-[6]-gingerol
8beta-acetoxy-5alpha-hydroxyhumul-1(10)Z-en-4alpha,14-olide
6alpha,8beta-dimethoxy-10beta-hydroxyeremophilenolide
1beta-acetoxy-11,12-epoxy-6-drimen-8alpha,11alpha-diol|1beta-acetoxy-11,12-epoxy-6-drimene-8alpha,11alpha-diol|1??-Acetoxy-11,12-epoxy-6-drimen-8??,11??-diol
(R)-(3E,5E,7E,9E,11E)-3,11-dimethyl-12-(2,4-dimethyl-3-oxocyclopent-1-enyl)dodeca-3,5,7,9,11-pentaen-2-one|falconensone A
Sterebin A
Sterebin A is a sesquiterpenoid. Sterebin A is a natural product found in Stevia rebaudiana with data available.
Gestodene
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
Mestranol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
Altrenogest
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins
methyl (2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyltetradeca-2,4,8-trienoate
Gestoden
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents CONFIDENCE standard compound; INTERNAL_ID 2807 CONFIDENCE standard compound; INTERNAL_ID 8740
C12-AE1S (TENTATIVE)
C14H30O5S (310.18138500000003)
TENTATIVELY IDENTIFIED SPECTRUM ONLY!!!!!!!!!; Extracted (without noise removal) from WIN_N: mz309_17_rt20_01_HCD60_C12-AE1S; CONFIDENCE Tentative identification: best match only (Level 3)
(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
cannabinol
C308 - Immunotherapeutic Agent > C574 - Immunosuppressant
(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
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-octanoate
9S-hydroxy-10S,11S-epoxy-12Z,15Z-octadecadienoic acid
(9Z,11R,12S,13S,15Z)-12,13-Epoxy-11-hydroxy-9,15-octadecadienoic acid
3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide
Valdiate
Methyl (2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyl-2,4,8-tetradecatrienoate
Cetamolol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
trans-2,3-difluror-4-(4-propylcyclohexyl)butoxybenzene
C19H28F2O (310.21081019999997)
(R)-2-[3-(3-METHOXYPROPOXY)-4-METHOXYBENZYL]-3-METHYL-BUTYRICACID
Plomestane
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D047072 - Aromatase Inhibitors C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents
tert-butyl-[[1-(6-fluoropyridin-2-yl)pyrrolidin-3-yl]methoxy]-dimethylsilane
N-(2,6-DIMETHYLPHENYL)-1-PROPYLPIPERIDINE-2-CARBOXAMIDE HYDROCHLORIDE
1-Benzyl-4-phenylamino-4-(methoxymethyl)piperidine
6-(Benzylamino)pyridine-3-boronic acid pinacol ester
5-N-BENZYL-AMINO-PYRIDIN-3-YLBORONIC ACID PINACOL ESTER
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
2-(2-(BENZYLOXY)-5-(TERT-BUTYL)PHENYL)-2-METHYLPROPANAL
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine,hydrochloride
4-(TRANS-4-PROPYLCYCLOHEXYL)-2-FLUORO-4-METHYLBIPHENYL
1,1-bis(4-hydroxyphenyl)-3,3,5-trimethylcyclohexane
Ropivacaine hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents
TRANS-1-ETHOXY-2,3-DIFLUORO-4-(4-PENTYL-CYCLOHEXYL)-BENZENE
C19H28F2O (310.21081019999997)
6-(4-Methylpiperazin-1-yl)-4-(2-methylphenyl)nicotinamide
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
(17R)-17-Hydroxy-13-methyl-17-prop-2-enyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
(6Z,9Z,11E)-13-hydroperoxyoctadeca-6,9,11-trienoic acid
13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)
(1S,3aR,4S,6R,7S,7aS)-1,7-diformyl-7a-hydroxy-1,3,3,6-tetramethyloctahydro-1H-inden-4-yl acetate
(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
(2S)-2-[(2,6-dimethylphenyl)carbamoyl]-1-propylpiperidinium chloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents
N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(1-pyrrolidinyl)acetamide
3-methyl-N-(1-propyl-3-pyrazolo[3,4-b]quinolinyl)butanamide
(10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
(13S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
N-ethyl-N-(3-methylphenyl)-N-(7H-purin-6-yl)propane-1,3-diamine
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.
(8R,9S,13S,14R,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
(11R)-hydroperoxy-(9Z,12Z,15Z)-octadecatrienoic acid
(2Z,6Z)-2,6-Bis[(1,5-dimethylpyrazol-4-yl)methylidene]cyclohexan-1-one
(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
(8R,9R,13S,14S,17S)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
Estra-4,9,11-trien-3-one, 17beta-hydroxy-17-(2-propenyl)-
(8R,9R,10R,13S,14S,17S)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one
(3S,4S)-5-Benzyloxy-3-methoxyethoxymethoxy-4-methylpentan-2-one
(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
9(S)-HPOT
D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
(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
2(R)-HPOT
A hydroperoxy fatty acid that is alpha-linolenic acid having a single hydroperoxy substituent located at the 2R-position.
DG(14:3)
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(1s,4e,8z)-1,5,9-trimethyl-17-oxatricyclo[9.5.3.0¹⁴,¹⁸]nonadeca-4,8,11,13,15,18-hexaen-12-ol
1-[4-hydroxy-6-(4-hydroxy-3,5-dimethylhepta-1,5-dien-1-yl)-5-methyloxan-2-yl]propan-2-one
(1s,2r,4r,5s,9s,10s,12r)-4,5-dihydroxy-12-methoxy-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-6-one
(1's,2s,2'r,5'r,7'r,9'r,11'r)-5'-(hydroxymethyl)-1',2'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-11'-yl acetate
14-ethoxy-12-hydroxy-1,9-dimethyl-4-methylidene-6,13-dioxatricyclo[8.4.0.0³,⁷]tetradecan-5-one
13-isopropyl-10-methyl-5-pentyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaen-3-ol
4'-hydroxy-1,3,3',5',6',8-hexamethyl-5-oxaspiro[bicyclo[2.2.2]octane-2,2'-oxane]-6,7-dione
(3s,3ar,4as,5s,7as,8s,9ar)-4a-(hydroxymethyl)-3,8-dimethyl-2-oxo-decahydroazuleno[6,5-b]furan-5-yl acetate
2,10-dihydroxy-5,6,12-trimethyl-11-oxotricyclo[5.3.2.0¹,⁶]dodecan-8-yl acetate
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
(12s)-5-isopropyl-8-methoxy-6,11,11-trimethyl-10-oxatetracyclo[7.5.1.0²,⁷.0¹²,¹⁵]pentadeca-1(15),2,4,6,8-pentaene
(1s,4s,4ar,7as,8s)-8-ethoxy-1,4-dihydroxy-6,6,8-trimethyl-1h,4h,4ah,5h,7h,7ah,9h-azuleno[5,6-c]furan-3-one
6-hydroxy-6-[2-hydroxy-4-(hydroxymethyl)phenyl]-2-methylheptyl acetate
(6r)-3-(1-hydroxybutylidene)-6-nonyloxane-2,4-dione
2,3-dihydroxypropyl 3,7,11-trimethyldodeca-2,6,10-trienoate
(4s,4as,5r,6s,8ar,9as)-6-hydroxy-4,9a-dimethoxy-3,4a,5-trimethyl-4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-2-one
8a-hydroxy-4,9a-dimethoxy-3,4a,5-trimethyl-4h,5h,6h,7h,8h,9h-naphtho[2,3-b]furan-2-one
{5-hydroxy-3,8-dimethyl-2-oxo-decahydroazuleno[6,5-b]furan-4a-yl}methyl acetate
12-hydroxy-2,2,4,9-tetramethyl-5-oxo-6-oxatricyclo[6.3.1.0⁴,¹²]dodecan-11-yl acetate
(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
(3e,7z,11e)-3,7,11-trimethylbicyclo[12.2.2]octadeca-1(16),3,7,11,14(18)-pentaene-15,17-dione
(3e,5r,6e,8s,9e,13s,14r)-5,8,13-trihydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
(3r,4s,7r,10r)-4,10-dihydroxy-9,9-dimethyl-5-pentyl-2,8-dioxatricyclo[5.4.0.0¹,³]undec-5-ene-6-carbaldehyde
4',10',10'-trimethyl-11'-azaspiro[indole-3,5'-tricyclo[5.2.2.0⁴,⁸]undecan]-6'-ol
(1s,2s,4r,6r,7s,8r,10s)-1,7,10-trihydroxy-3,3,6-trimethyl-11-methylidenetricyclo[6.3.0.0²,⁶]undecan-4-yl acetate
4,10-dihydroxy-9,9-dimethyl-5-pentyl-2,8-dioxatricyclo[5.4.0.0¹,³]undec-5-ene-6-carbaldehyde
5-isopropyl-8-methoxy-6,11,11-trimethyl-10-oxatetracyclo[7.5.1.0²,⁷.0¹²,¹⁵]pentadeca-1(15),2,4,6,8-pentaene
6,6-dimethyl-5'-(3-oxohexyl)-dihydro-3h-spiro[furo[3,2-b]furan-2,2'-oxolan]-5-one
(5s)-1-(3,4-dihydroxy-5-methoxyphenyl)-5-hydroxydecan-3-one
4-hydroxy-3,5-bis(3-hydroxy-3-methylbutyl)benzoic acid
(1s,2r,5r,6r,7s,8r,10r,12r)-2,10-dihydroxy-5,6,12-trimethyl-11-oxotricyclo[5.3.2.0¹,⁶]dodecan-8-yl acetate
(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"}
1β-acetoxy-11,12-epoxy-6-drimen-8α,11α-diol
{"Ingredient_id": "HBIN002378","Ingredient_name": "1\u03b2-acetoxy-11,12-epoxy-6-drimen-8\u03b1,11\u03b1-diol","Alias": "NA","Ingredient_formula": "C17H26O5","Ingredient_Smile": "CC(=O)OC1CCC(C2C1(C3C(OCC3(C=C2)O)O)C)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "182","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"}
2-(1-ethoxy-2-hydroxy)propyl-4-methoxy-phenol-2-methyl-butyrate
{"Ingredient_id": "HBIN003569","Ingredient_name": "2-(1-ethoxy-2-hydroxy)propyl-4-methoxy-phenol-2-methyl-butyrate","Alias": "NA","Ingredient_formula": "C17H26O5","Ingredient_Smile": "CCC(C)C(=O)OC1=C(C=C(C=C1)OC)C(C(C)O)OCC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7406","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-(1-ethoxy-2-hydroxy)propyl-4-methoxyphenol-2-methyl-butyrate(ii)
{"Ingredient_id": "HBIN003570","Ingredient_name": "2-(1-ethoxy-2-hydroxy)propyl-4-methoxyphenol-2-methyl-butyrate(ii)","Alias": "NA","Ingredient_formula": "C17H26O5","Ingredient_Smile": "CCC(C)C(=O)OC1=C(C=C(C=C1)OC)C(C(C)O)OCC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25752","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6β,8β-dimethoxy-10β-hydroxyeremophil-7(11)-en-12,8α-olide
{"Ingredient_id": "HBIN012247","Ingredient_name": "6\u03b2,8\u03b2-dimethoxy-10\u03b2-hydroxyeremophil-7(11)-en-12,8\u03b1-olide","Alias": "NA","Ingredient_formula": "C17H26O5","Ingredient_Smile": "CC1CCCC2(C1(C(C3=C(C(=O)OC3(C2)OC)C)OC)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6237","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}