Exact Mass: 212.1439168
Exact Mass Matches: 212.1439168
Found 500 metabolites which its exact mass value is equals to given mass value 212.1439168,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Butabarbital
Butabarbital (trade name Butisol) is a prescription barbiturate sleep aid. Butabarbital has a particularly fast onset of effects and short duration of action compared to other barbiturates, which makes it useful for certain applications such as treating severe insomnia and relieving anxiety before surgical procedures; however it is also relatively dangerous particularly when combined with alcohol, and so is now rarely used, although it is still prescribed in some Eastern European and South American countries. Its short duration of action gives butabarbital a high abuse potential, comparable to secobarbital. [Wikipedia] D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
3,3'-Dimethylbenzidine
CONFIDENCE standard compound; INTERNAL_ID 2434
Cucurbic acid
6-Epi-7-isocucurbic acid is found in nuts. 6-Epi-7-isocucurbic acid is a constituent of Vicia faba and Juglans regia (walnut). Constituent of Vicia faba and Juglans regia (walnut). 6-Epi-7-isocucurbic acid is found in pulses, nuts, and rye.
Traumatin
obtained from ripe miracle berry fruits (Thaumatococcus daniellii). Sweetener (5,000 times sweeter than sucrose), flavour enhancer for coffee, peppermint flavours etc. Permitted in EU at 50-400 ppm in chewing gum, vitamin preparations and some other sugar-free products. Use limited by slow contact and persistence of sensation Traumatin is found in tea. Traumatin is found in Thea sinensis chloroplasts Traumatin is a plant hormone produced in response to wound. Traumatin is a precursor to the related hormone traumatic acid.
1,4'-Bipiperidine-1'-carboxylic acid
C11H20N2O2 (212.15247000000002)
This compound belongs to the family of Piperidinecarboxylic Acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
Dihydrojasmonic acid
9,10-Dihydrojasmonic acid is a member of Jasmonate derivatives. It is functionally related to a jasmonic acid. Dihydrojasmonic acid is a natural product found in Vicia with data available. Isolated from Vicia faba and Secale cereale (rye). Dihydrojasmonic acid is found in many foods, some of which are pulses, broad bean, cereals and cereal products, and rye. Dihydrojasmonic acid is found in broad bean. Dihydrojasmonic acid is isolated from Vicia faba and Secale cereale (rye). Dihydrojasmonic acid is a plant growth regulator[1].
Prolylproline
Prolylproline is a dipeptide composed of proline and proline. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. It is found in urine (PMID: 3782411).
Deterrol
Deterrol is found in mushrooms. Deterrol is isolated from the mushroom Lactarius deterrimus. Isolated from the mushroom Lactarius deterrimus. Deterrol is found in mushrooms.
Oxacyclotetradecan-2-one
Constituent of blackberries (Rubus species) and Angelica archangelica (angelica). Oxacyclotetradecan-2-one is found in fats and oils, fruits, and green vegetables. Oxacyclotetradecan-2-one is found in fats and oils. Oxacyclotetradecan-2-one is a constituent of blackberries (Rubus sp.) and Angelica archangelica (angelica).
4-(3-Hydroxybutyl)-3,3,5-trimethylcyclohexanone
Tentatively identified in oak used in wine and spirit maturation. 4-(3-Hydroxybutyl)-3,3,5-trimethylcyclohexanone is found in alcoholic beverages. 4-(3-Hydroxybutyl)-3,3,5-trimethylcyclohexanone is found in alcoholic beverages. Tentatively identified in oak used in wine and spirit maturation.
Vulgarole
Vulgarole is found in mugwort. Vulgarole is a constituent of oil of Artemisia vulgaris (mugwort) Constituent of oil of Artemisia vulgaris (mugwort). Vulgarole is found in mugwort.
Methyl (E)-2-dodecenoate
Methyl (E)-2-dodecenoate is found in pomes. Methyl (E)-2-dodecenoate occurs in volatile component of pear Occurs in volatile component of pears. Methyl (E)-2-dodecenoate is found in pomes.
Pyrocurzerenone
Pyrocurzerenone is a constituent of the rhizomes of Curcuma zedoaria (zedoary). Constituent of the rhizomes of Curcuma zedoaria (zedoary)
Citronellyl propionate
Citronellyl propionate is found in garden tomato. Citronellyl propionate is a flavouring ingredient. Citronellyl propionate is a constituent of tomato. Flavouring ingredient. Constituent of tomato. Citronellyl propionate is found in garden tomato.
11,12-Dihydrolactaroviolin
11,12-Dihydrolactaroviolin is found in mushrooms. 11,12-Dihydrolactaroviolin is isolated from the mushroom Lactarius deterrimu Isolated from the mushroom Lactarius deterrimus. 11,12-Dihydrolactaroviolin is found in mushrooms.
Ethyl 10-undecenoate
Ethyl 10-undecenoate is found in alcoholic beverages. Ethyl 10-undecenoate is a flavouring ingredient. Ethyl 10-undecenoate is found in rum and cogna Flavouring ingredient. Found in rum and cognac
3-Ethenyl-4-hydroxy-2,5-dimethylhex-5-en-2-yl acetate
3-Ethenyl-4-hydroxy-2,5-dimethylhex-5-en-2-yl acetate is a constituent of Artemisia vulgaris (mugwort). Constituent of Artemisia vulgaris (mugwort)
Butethal
Butethal is only found in individuals that have used or taken this drug. It is a sedative and a hypnotic drug.Butethal binds at a distinct binding site associated with a Cl- ionopore at the GABAA receptor, increasing the duration of time for which the Cl- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. All of these effects are associated with marked decreases in GABA-sensitive neuronal calcium conductance (gCa). The net result of barbiturate action is acute potentiation of inhibitory GABAergic tone. Barbiturates also act through potent (if less well characterized) and direct inhibition of excitatory AMPA-type glutamate receptors, resulting in a profound suppression of glutamatergic neurotransmission. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
10-Undecenyl acetate
10-Undecenyl acetate is a flavouring ingredien Flavouring ingredient
Coniferan
Coniferan is listed in the EAFUS Food Additive Database (Jan. 2001) but with no current reported us
(±)-(E)-3-Methyl-4-decen-1-yl acetate
(±)-(E)-3-Methyl-4-decen-1-yl acetate is found in herbs and spices. (±)-(E)-3-Methyl-4-decen-1-yl acetate is a constituent of nutmeg oil. Constituent of nutmeg oil. (±)-(E)-3-Methyl-4-decen-1-yl acetate is found in herbs and spices.
Rhodinyl propionate
Rhodinyl propionate is a flavouring ingredient. Flavouring ingredient
1-Ethylhexyl tiglate
1-Ethylhexyl tiglate is a flavouring agent. Flavouring agent
2,6,10,10-Tetramethyl-1-oxaspiro[4.5]decan-6-ol
2,6,10,10-Tetramethyl-1-oxaspiro[4.5]decan-6-ol is found in tea. 2,6,10,10-Tetramethyl-1-oxaspiro[4.5]decan-6-ol is a flavouring ingredient with camphoraceous, woody, green odour. 2,6,10,10-Tetramethyl-1-oxaspiro[4.5]decan-6-ol is a constituent of black tea. Flavouring ingredient with camphoraceous, woody, green odour. Constituent of black tea [DFC]. 2,6,10,10-Tetramethyl-1-oxaspiro[4.5]decan-6-ol is found in tea.
1,1-Diethoxy-2,6-nonadiene
1,1-Diethoxy-2,6-nonadiene is a flavouring ingredient. Flavouring ingredient
2,6-Diisopropylnaphthalene
2,6-Diisopropylnaphthalene belongs to the family of Naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
2-(2-Cyclohexylethylhydrazono)propionic acid
C11H20N2O2 (212.15247000000002)
(+)-1,2-Epoxyneomenthyl acetate
(+)-1,2-epoxyneomenthyl acetate is a member of the class of compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms (+)-1,2-epoxyneomenthyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (+)-1,2-epoxyneomenthyl acetate can be found in cornmint, which makes (+)-1,2-epoxyneomenthyl acetate a potential biomarker for the consumption of this food product.
[4aR-(4aalpha,5beta,6beta,8abeta)]-Octahydro-5,6-dihydroxy-5,8a-dimethyl-2(1H)-naphthalenone
7-Methyl-4-(1-methylethyl)-1-naphthalenecarboxaldehyde
cis-(+)-2-(Ethoxymethyl)-4-hydroxy-5-(1-methylethyl)-2-cyclohexen
7-Dihydro-4-methyl-7-(1-methylethylidene)-1-azulenecarboxaldehyde
3-Isopropyl-6-tert-butyl-2,5-piperazinedione
C11H20N2O2 (212.15247000000002)
2-Benzyl-2-azabicyclo[2.2.1]heptane-6-carbonitrile
(5E,7E,13E)-5,7,13-Pentadecatriene-9,11-diynal|5,7,13-Pentadecatriene-9,11-diynal|pentadeca-5t,7t,13t-triene-9,11-diynal
(E,E)-1,8,10,14-Pentadecatetraene-4,6-diyn-3-ol|Pentadeca-1,8,10,14-en-4,6-diin-3-ol|pentadeca-1,8t,10t,14-tetraene-4,6-diyn-3-ol|trans.trans-Pentadecatetraen-(1.8.10.14)-diin-(4.6)-ol-(3)
5,7-Pentadecadiene-9,11,13-triyn-1-ol|pentadeca-5t,7t-diene-9,11,13-triyn-1-ol|trans-trans-Pentadecadien-(5,7)-triin-(9,11,13)-ol-(1)
(2E)-5-(3,3-dimethyloxiranyl)-3-methylpent-2-enyl acetate|(E)-3,7-Dimethyl-6,7-epoxyoct-2-enyl acetate|(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-en-1-yl acetate|(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl acetate|1-methoxy-4-((3E,7E)-4,8,10-trimethylundeca-3,7,9-trienyl)benzene|epoxygeranyl acetate|trans-6,7-epoxy-3,7-dimethyl-2-octenyl acetate
1alpha(H),6beta(H)-2,2-dimethyl-9-ethylbicyclo-<4,4,0>-8-thiadecane|1alpha(H),6beta(H)-2,2-dimethyl-9-ethylbicyclo-[4,4,0]-8-thiadecane
(5E,7Z,13E)-5,7,13-Pentadecatriene-9,11-diyn-4-one|(5E,7Z,13E)-5,7,13-Pentadrcatriene-9,11-diyn-4-one|pentadeca-trans-2,cis-8,trans-10-triene-4,6-diyn-12-one
2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, 3-acetate
(E,E)-10-Hydroxy-3,7-dimethyl-2,6-decadienoic acid|3,7-dimethyl-10-hydroxy-2E,6E-decadienoic acid|trans,trans-10-Hydroxy-3,7-dimethyl-decadien-(2,6)-saeure
4-Hydroxy-2-isopropenyl-5-methylhex-5-enyl acetate
1,3,3-trimethyl-2-oxabicyclo[2,2,2]oct-5-yl acetate
(E,E,)-1,8,10-Pentadecatriene-4,6-diyn-3-one|pentadeca-1,8t,10t-triene-4,6-diyn-3-one
4-acetoxy-3-(3,3-dimethyl-oxiranylmethyl)-2-methyl-but-1-ene
3-Isopropyl-6-hydroxy-1,6-trimethylenepiperazine-2,5-dione
2-(6-hydroxy-6-methylheptyl)-2H-furan-5-one
butabarbital
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
Butethal
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
3-Ethenyl-4-hydroxy-2,5-dimethylhex-5-en-2-yl acetate
3,3-((OXYBIS(ETHANE-2,1-DIYL))BIS(OXY))DIPROPANENITRILE
6-(1-METHYL-1,2,3,6-TETRAHYDRO-PYRIDIN-4-YL)-1H-INDOLE
HEXAHYDRO-PYRROLO[3,2-B]PYRROLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C11H20N2O2 (212.15247000000002)
tert-Butyl-4,7-diazaspiro[2.5]octan-4-carboxylat
C11H20N2O2 (212.15247000000002)
4,7-Diazaspiro[2.5]octane-7-carboxylic acid tert-butyl ester
C11H20N2O2 (212.15247000000002)
tert-butyl octahydropyrrolo[2,3-c]pyrrole-1-carboxylate
C11H20N2O2 (212.15247000000002)
tert-Butyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate
(7R,9AS)-METHYL 1-OXOOCTAHYDRO-1H-PYRIDO[1,2-A]PYRAZINE-7-CARBOXYLATE
tert-butyl 3-(cyclopropylamino)azetidine-1-carboxylate
C11H20N2O2 (212.15247000000002)
Silane, [(2-ethoxy-1-methoxycyclopropyl)ethynyl]trimethyl-, (1R-cis)- (9CI)
C11H20O2Si (212.12325000000004)
1-ethyl-2,3-dimethylimidazol-3-ium,tetrafluoroborate
C7H13BF4N2 (212.11078559999999)
2-Oxabicyclo[2.2.1]heptane-1-carboxylicacid,4,7,7-trimethyl-3-oxo-,hydrazide(9CI)
tert-butyl N-(3-azabicyclo[3.1.0]hexan-1-ylmethyl)carbamate
C11H20N2O2 (212.15247000000002)
5-Amino-2-aza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
C11H20N2O2 (212.15247000000002)
CIS-TERT-BUTYL HEXAHYDROPYRROLO[3,4-B]PYRROLE-5(1H)-CARBOXYLATE
C11H20N2O2 (212.15247000000002)
cis-2-Boc-hexahydropyrrolo[3,4-c]pyrrole
C11H20N2O2 (212.15247000000002)
Atipamezole
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists Atipamezole (MPV 1248) is a potent α2-adrenoceptor antagonist with a Ki of 1.6 nM[1].
tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.2]octane-2-carboxylate
C11H20N2O2 (212.15247000000002)
tert-butyl 2,5-diazaspiro[3.4]octane-5-carboxylate
C11H20N2O2 (212.15247000000002)
1,3,5,7-Tetraazabicyclo[3.3.1]nonane,3,7-diacetyl-
C9H16N4O2 (212.12731960000002)
tert-butyl 4-(aminomethyl)-3-azabicyclo[2.1.1]hexane-3-carboxylat e
C11H20N2O2 (212.15247000000002)
cis-3-Boc-3,7-diazabicyclo[4.2.0]octane
C11H20N2O2 (212.15247000000002)
tert-butyl (2S)-2-carbamoyl-2,3-dihydropyrrole-1-carboxylate
cis-8-Boc-3,8-diazabicyclo[4.2.0]octane
C11H20N2O2 (212.15247000000002)
cis-3-Boc-3,8-diazabicyclo[4.2.0]octane
C11H20N2O2 (212.15247000000002)
tert-Butyl-2,6-diazaspiro[3.4]octan-6-carboxylat
C11H20N2O2 (212.15247000000002)
(R)CYANO(3-PHENOXYPHENYL)-3-(2,2-DICHLOROETHENYL)2,2-DIMETHYLCYCLOPROPANECARBOXYLICACIDMETHYLESTER
Brivaracetam
C11H20N2O2 (212.15247000000002)
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics C26170 - Protective Agent > C1509 - Neuroprotective Agent
TERT-BUTYL 5-METHYL-2,5-DIAZA-BICYCLO[2.2.1]HEPTANE-2-CARBOXYLATE
C11H20N2O2 (212.15247000000002)
TERT-BUTYL 3,7-DIAZABICYCLO[4.2.0]OCTANE-3-CARBOXYLATE
C11H20N2O2 (212.15247000000002)
4-METHYLAMINOMETHYL-PIPERIDINE-1-CARBOXYLIC ACID ALLYL ESTER
C11H20N2O2 (212.15247000000002)
(1R,6S)-8-BOC-3,8-DIAZABICYCLO[4.2.0]OCTANE
C11H20N2O2 (212.15247000000002)
1-(Cyanomethyl)piperidinium tetrafluoroborate
C7H13BF4N2 (212.11078559999999)
2-amino-2-cyano-N-(2-morpholin-4-ylethyl)acetamide
C9H16N4O2 (212.12731960000002)
5-(1-METHYL-1,2,3,6-TETRAHYDRO-PYRIDIN-4-YL)-1H-INDOLE
(4R,5R)-2,2-DIMETHYL-1,3-DIOXOLANE-4,5-DICARBOXYLICACIDDIMETHYLESTER
C11H20O2Si (212.12325000000004)
tert-Butyl 3,6-diazabicyclo[3.2.1]octane-6-carboxylate
C11H20N2O2 (212.15247000000002)
tert-Butyl 2,5-diazaspiro[3.4]octane-2-carboxylate
C11H20N2O2 (212.15247000000002)
(7R,9AR)-METHYL 1-OXOOCTAHYDRO-1H-PYRIDO[1,2-A]PYRAZINE-7-CARBOXYLATE
tert-Butyl 5-azaspiro[2.4]hept-1-ylcarbamate
C11H20N2O2 (212.15247000000002)
8-Boc-3,8-Diaza-bicyclo[3.2.1]octane
C11H20N2O2 (212.15247000000002)
(S)-tert-Butyl 5-azaspiro[2.4]heptan-7-ylcarbamate
C11H20N2O2 (212.15247000000002)
1-PENTANAMIDOCYCLOPENTANECARBOXAMIDE
C11H20N2O2 (212.15247000000002)
tert-butyl (1S,6R)-3,8-diazabicyclo[4.2.0]octane-8-carboxylate
C11H20N2O2 (212.15247000000002)
1-(piperidin-4-yl)piperidine-4-carboxylic acid
C11H20N2O2 (212.15247000000002)
tert-Butyl 5-azaspiro[2.4]hept-7-ylcarbamate
C11H20N2O2 (212.15247000000002)
4-piperidin-1-ylpiperidine-4-carboxylic acid
C11H20N2O2 (212.15247000000002)
TERT-BUTYL 1,6-DIAZASPIRO[3.4]OCTANE-1-CARBOXYLATE
C11H20N2O2 (212.15247000000002)
(E)-2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-ol
C11H21BO3 (212.15836660000002)
(2-METHYLBENZYL)(4-PYRIDINYLMETHYL)AMINE HYDROCHLORIDE
(r)-2,5-dihydro-3,6-diethoxy-2-isopropylPyrazine
C11H20N2O2 (212.15247000000002)
(3S,6S,8AS)-METHYL 6-AMINO-5-OXOOCTAHYDROINDOLIZINE-3-CARBOXYLATE
(R)-Methyl 1-(piperidin-4-yl)pyrrolidine-2-carboxylate
C11H20N2O2 (212.15247000000002)
2-Boc-Hexahydropyrrolo[3,4-c]pyrrole
C11H20N2O2 (212.15247000000002)
2,5-DIAZA-BICYCLO[2.2.2]OCTANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
C11H20N2O2 (212.15247000000002)
(4-HYDROXY-NAPHTHALEN-1-YLMETHYL)-HYDRAZINE
C11H20N2O2 (212.15247000000002)
[(1R,3S,4R)-3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl]acet ic acid
8-BOC-3,8-DIAZABICYCLO[4.2.0]OCTANE
C11H20N2O2 (212.15247000000002)
5-Boc-hexahydropyrrolo[3,4-b]pyrrole
C11H20N2O2 (212.15247000000002)
Tert-Butyl 3,8-Diazabicyclo[3.2.1]Octane-3-Carboxylate
C11H20N2O2 (212.15247000000002)
(R)-7-Tert-Butoxycarbonylamino-5-azaspiro[2.4]heptane
C11H20N2O2 (212.15247000000002)
6-amino-5-(butylamino)-1-methylpyrimidine-2,4-dione
C9H16N4O2 (212.12731960000002)
(1R,6S)-3-Boc-3,8-diazabicyclo[4.2.0]octane
C11H20N2O2 (212.15247000000002)
2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-1-ethyl-3-propyl- (9CI)
C9H16N4O2 (212.12731960000002)
ergoline
An indole alkaloid whose structural skeleton is found in many naturally occurring and synthetic ergolines which are known to bind to neurotransmitter receptors, such as dopamine, noradrenaline and serotonin receptors and function as unselective agonists or antagonists at these receptors.
5-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
(4-Isopropyl-1-methyl-7,8-dioxa-bicyclo[3.2.1]-octan-6-yl)methyl ketone
6-Acetyl-4-exo-isopropyl-1-methyl-7,8-dioxabicyclo[3.2.1]octane
tert-butyl (1R,2R,4S)-rel-2-amino-7-azabicyclo[2.2.1]heptane-7-carboxylate
C11H20N2O2 (212.15247000000002)
3-(N-BOC-AMINOMETHYL)-5-METHYL-4H-1,2,4-TRIAZOLE
C9H16N4O2 (212.12731960000002)
5-BENZYL-4,5,6,7-TETRAHYDRO-1H-PYRROLO[3,2-C]PYRIDINE
1-propylene-3-methylimidazolium tetrafluoroborate
C7H13BF4N2 (212.11078559999999)
(2S)-2-(2-oxo-4-propylpyrrolidin-1-yl)butanamide
C11H20N2O2 (212.15247000000002)
tert-Butyl-2,6-diazaspiro[3.4]octan-2-carboxylat
C11H20N2O2 (212.15247000000002)
tert-Butyl 2-azaspiro[3.3]hept-6-ylcarbamate
C11H20N2O2 (212.15247000000002)
tert-butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate
C11H20N2O2 (212.15247000000002)
tert-butyl (1R,6R)-4,8-diazabicyclo[4.2.0]octane-8-carboxylate
C11H20N2O2 (212.15247000000002)
1-(2,3-EPOXYPROPYL)-4-TERT-BUTOXYCARBONYLPIPERAZINE
3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, methyl ester
C11H20N2O2 (212.15247000000002)
carbanide,(2S,5S)-1-cyclopentyl-2,5-diethylphospholane,iron(2+)
tert-Butyl 3-cyano-3-hydroxypyrrolidine-1-carboxylate
5,6-diamino-1-butyl-3-methylpyrimidine-2,4-dione
C9H16N4O2 (212.12731960000002)
2-Methyl-2-Propanyl 3,8-Diazabicyclo[4.2.0]Octane-3-Carboxylate
C11H20N2O2 (212.15247000000002)
(S)-2,5-Dihydro-3,6-diethoxy-2-isopropylpyrazine
C11H20N2O2 (212.15247000000002)
1H-Imidazole,4-(6-ethyl-2,3-dihydro-1H-inden-1-yl)-(9CI)
(1S,6R)-3-Boc-3,7-diazabicyclo[4.2.0]octane
C11H20N2O2 (212.15247000000002)
(2R)-N-[(2R)-2-(Dihydroxyboryl)-1-L-prolylpyrrolidin-2-YL]-N-[(5R)-5-(dihydroxyboryl)-1-L-prolylpyrrolidin-2-YL]-L-prolinamide
2-(2-Cyclohexylethylhydrazono)propionic acid
C11H20N2O2 (212.15247000000002)
(E)-4-(4-ethylpiperazin-1-yl)-4-oxobut-2-enoic acid
[3-Methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate
(S)-2-[4-(Aminomethyl)-1h-1,2,3-Triazol-1-Yl]-4-Methylpentanoic Acid
C9H16N4O2 (212.12731960000002)
[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]-trimethylammonium
2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, 3-acetate, (3R,6R)-rel-
2-Methyl-4-trimethylsilyloxyoct-5-yne
C12H24OSi (212.15963339999996)
Trimethyl((3E,6E)-nona-3,6-dienyloxy)silane
C12H24OSi (212.15963339999996)
1-Methyl-4-(1,4-dioxohexyl)piperazine
C11H20N2O2 (212.15247000000002)
3-(Trimethylsilyl)methyl-1-octen-4-one
C12H24OSi (212.15963339999996)
6-Methyl-5-trimethylsilylmethyl-6-hepten-2-one
C12H24OSi (212.15963339999996)
6-Methyl-3-(trimethylsilyl)methyl-1-hepten-4-one
C12H24OSi (212.15963339999996)
6-(Trimethylsilyl)methyl-7-octen-3-one
C12H24OSi (212.15963339999996)
2,2-Dimethyl-4-[(trimethylsilyl)methyl]-5-hexen-3-one
C12H24OSi (212.15963339999996)
12-oxo-9(Z)-dodecenoic acid
A C12, omega-oxo fatty acid with a double bond at position 9; found in soybean, a metabolite of both linolenic and linoleic acids.
1,4-Bipiperidine-1-carboxylic acid
C11H20N2O2 (212.15247000000002)
12-Oxo-trans-10-dodecenoic acid
A monounsaturated fatty acid comprising dodecanoic acid having a trans-double bond at the 10-position and a 12-oxo group.
(3r,6s)-3-isopropyl-6-(2-methylpropyl)-3,6-dihydropyrazine-2,5-diol
C11H20N2O2 (212.15247000000002)
(3s,6r)-3-isopropyl-6-(2-methylpropyl)-3,6-dihydropyrazine-2,5-diol
C11H20N2O2 (212.15247000000002)
4-methyl-7-(prop-1-en-2-yl)-6,7-dihydroazulene-1-carbaldehyde
[(1r,2r,3s)-3-hydroxy-2-[(2z)-pent-2-en-1-yl]cyclopentyl]acetic acid
(5r)-5-[(1r,3s,4r)-3-hydroxy-4-methylcyclohexyl]-5-methyloxolan-2-one
3-isopropyl-6-(sec-butyl)-3,6-dihydropyrazine-2,5-diol
C11H20N2O2 (212.15247000000002)
3-ethoxy-7,7-dimethyl-hexahydro-2-benzofuran-5-one
10,10-dimethyl-4-oxatricyclo[7.4.1.0³,⁷]tetradeca-1,3(7),5,8,12-pentaene
(6e,8r,10r)-8-hydroxy-10-propyl-3,4,5,8,9,10-hexahydrooxecin-2-one
2-hydroxy-2-methyl-6-methylideneoct-7-en-3-yl acetate
4-hydroxy-3-methyl-6-(4-methylpentyl)-5,6-dihydropyran-2-one
2-(ethoxymethyl)-4-hydroxy-5-isopropylcyclohex-2-en-1-one
(2s,3s,5s)-2,3-bis(hydroxymethyl)-5-(3-methylbut-2-en-1-yl)cyclopentan-1-one
(5e,7e,13e)-pentadeca-5,7,13-trien-9,11-diyn-4-one
1,2-epoxy-p-menthan-3-ol; (1s,2r,3s,4s)-form,ac
{"Ingredient_id": "HBIN000852","Ingredient_name": "1,2-epoxy-p-menthan-3-ol; (1s,2r,3s,4s)-form,ac","Alias": "NA","Ingredient_formula": "C12H20O3","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9575","PubChem_id": "NA","DrugBank_id": "NA"}
1-Acetyl-4,6,8-trimethylazulene
{"Ingredient_id": "HBIN002254","Ingredient_name": "1-Acetyl-4,6,8-trimethylazulene","Alias": "1-(4,6,8-trimethylazulen-1-yl)ethanone; 1-(4,6,8-Trimethyl-1-azulenyl)ethanone","Ingredient_formula": "C15H16O","Ingredient_Smile": "CC1=CC(=C2C=CC(=C2C(=C1)C)C(=O)C)C","Ingredient_weight": "212.29 g/mol","OB_score": "27.02153399","CAS_id": "NA","SymMap_id": "SMIT07226","TCMID_id": "NA","TCMSP_id": "MOL005474","TCM_ID_id": "NA","PubChem_id": "607590","DrugBank_id": "NA"}
2(3h)-phenanthrenone,4,4a,9,10-tetrahydro-4a-methyl
{"Ingredient_id": "HBIN004104","Ingredient_name": "2(3h)-phenanthrenone,4,4a,9,10-tetrahydro-4a-methyl","Alias": "NA","Ingredient_formula": "C15H16O","Ingredient_Smile": "CC12CCC(=O)C=C1CCC3=CC=CC=C23","Ingredient_weight": "212.29 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9068","PubChem_id": "607587","DrugBank_id": "NA"}
3-isopropyl-6-isobutyl-2,5-dioxopiperazine
C11H20N2O2 (212.15247000000002)
{"Ingredient_id": "HBIN008771","Ingredient_name": "3-isopropyl-6-isobutyl-2,5-dioxopiperazine","Alias": "NA","Ingredient_formula": "C11H20N2O2","Ingredient_Smile": "CCC(C)C1C(=O)NC(C(=O)N1)C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT16067","TCMID_id": "11621","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-isopropyl-6-isobutyl-2,5-piperazinedione
C11H20N2O2 (212.15247000000002)
{"Ingredient_id": "HBIN008772","Ingredient_name": "3-isopropyl-6-isobutyl-2,5-piperazinedione","Alias": "NA","Ingredient_formula": "C11H20N2O2","Ingredient_Smile": "NA","Ingredient_weight": "212.29","OB_score": "59.65268551","CAS_id": "5625-50-3","SymMap_id": "SMIT13832","TCMID_id": "NA","TCMSP_id": "MOL013140","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-isopropyl-6-tert-butyl-2,5-piperazinedione
C11H20N2O2 (212.15247000000002)
{"Ingredient_id": "HBIN008773","Ingredient_name": "3-isopropyl-6-tert-butyl-2,5-piperazinedione","Alias": "NA","Ingredient_formula": "C11H20N2O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "11628","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
α,α,5-Trimethyl-5-ethenyl-2-furanmethanol
{"Ingredient_id": "HBIN015343","Ingredient_name": "\u03b1,\u03b1,5-Trimethyl-5-ethenyl-2-furanmethanol","Alias": "NA","Ingredient_formula": "C12H20O3","Ingredient_Smile": "CC(=O)OC(C)(C)C1CCC(O1)(C)C=C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41899","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3r,6r)-6-ethenyl-2,2,6-trimethyloxan-3-yl acetate
11,14-dimethyl-4-oxatricyclo[8.4.0.0³,⁷]tetradeca-1(10),3(7),5,11,13-pentaene
(1s,4r,5r)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-yl acetate
[3-hydroxy-2-(pent-2-en-1-yl)cyclopentyl]acetic acid
(4r,5s,6s)-6-[(2e)-but-2-en-2-yl]-4-hydroxy-3,3,5-trimethyloxan-2-one
(6r)-6-[(6r)-6-hydroxyheptyl]-5,6-dihydropyran-2-one
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-yl acetate
6-(but-2-en-2-yl)-4-hydroxy-3,3,5-trimethyloxan-2-one
(3r)-2-hydroxy-2-methyl-6-methylideneoct-7-en-3-yl acetate
(3s,5s)-5-(2-hydroxyethyl)-3-(3-methylbut-2-en-1-yl)oxan-2-one
(4s,5r,6r)-6-[(2e)-but-2-en-2-yl]-4-hydroxy-3,3,5-trimethyloxan-2-one
(3s,6s)-3-[(2s)-butan-2-yl]-6-isopropyl-3,6-dihydropyrazine-2,5-diol
C11H20N2O2 (212.15247000000002)
8-hydroxy-10-propyl-3,4,5,8,9,10-hexahydrooxecin-2-one
(6e,8r,10s)-8-hydroxy-10-propyl-3,4,5,8,9,10-hexahydrooxecin-2-one
(3r,3as,7ar)-3-ethoxy-7,7-dimethyl-hexahydro-2-benzofuran-5-one
3-isopropyl-6-(2-methylpropyl)-3,6-dihydropyrazine-2,5-diol
C11H20N2O2 (212.15247000000002)
1-{1,8-dimethyl-2,7-dioxabicyclo[3.2.1]octan-4-yl}butan-1-one
(6r,9e,12r)-6-hydroxy-12-methyl-1-oxacyclododec-9-en-2-one
(1s,4s)-4-isopropyl-1-methyl-3-oxocyclohexyl acetate
(3s,8ar)-1,8a-dihydroxy-3-isopropyl-3h,6h,7h,8h-pyrrolo[1,2-a]pyrazin-4-one
4-methyl-7-(propan-2-ylidene)-6h-azulene-1-carbaldehyde
13,14-dimethyl-4-oxatricyclo[8.4.0.0³,⁷]tetradeca-1(14),3(7),5,10,12-pentaene
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl acetate
(4r,5r,6r)-6-[(2e)-but-2-en-2-yl]-4-hydroxy-3,3,5-trimethyloxan-2-one
(2e,5e)-7-hydroxy-3,7-dimethylocta-2,5-dien-1-yl acetate
5-(3-hydroxy-4-methylcyclohexyl)-5-methyloxolan-2-one
(1r,2r,3s,6s)-3-isopropyl-6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl acetate
(6s,7z,10s)-6-hydroxy-10-propyl-3,4,5,6,9,10-hexahydrooxecin-2-one
(7s)-4-methyl-7-(prop-1-en-2-yl)-6,7-dihydroazulene-1-carbaldehyde
(1s,4r,5s)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-yl acetate
1,8a-dihydroxy-3-isopropyl-3h,6h,7h,8h-pyrrolo[1,2-a]pyrazin-4-one
1-[(1s,4r,5s,8r)-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]octan-4-yl]butan-1-one
3-isopropyl-6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl acetate
(6s,9e,12r)-6-hydroxy-12-methyl-1-oxacyclododec-9-en-2-one
(4s,5r)-2-(ethoxymethyl)-4-hydroxy-5-isopropylcyclohex-2-en-1-one
(3e,5e,7e)-3-methyl-8-phenylocta-3,5,7-trien-2-one
5,6-dihydroxy-5,8a-dimethyl-hexahydro-1h-naphthalen-2-one
2,3-bis(hydroxymethyl)-5-(3-methylbut-2-en-1-yl)cyclopentan-1-one
(4bs)-4b-methyl-5,6,7,8-tetrahydrophenanthren-1-one
(11bs)-1h,2h,3h,5h,6h,11h,11bh-indolo[3,2-g]indolizine
(3s,8e,10e)-pentadeca-1,8,10,14-tetraen-4,6-diyn-3-ol
{2-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}acetic acid
(1s,2r,3s,4r)-3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetate
(4ar,5r,6s,8ar)-5,6-dihydroxy-5,8a-dimethyl-hexahydro-1h-naphthalen-2-one
(1s,4r,6r)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl acetate
(11br)-1h,2h,3h,5h,6h,11h,11bh-indolo[3,2-g]indolizine
(4r,5s,6r)-6-[(2e)-but-2-en-2-yl]-4-hydroxy-3,3,5-trimethyloxan-2-one
(3z,5s,12r)-5-hydroxy-12-methyl-1-oxacyclododec-3-en-2-one
[(1s,2s,3s)-3-hydroxy-2-[(2z)-pent-2-en-1-yl]cyclopentyl]acetic acid
(6s,7z)-6-hydroxy-10-propyl-3,4,5,6,9,10-hexahydrooxecin-2-one
(3r,8ar)-1,8a-dihydroxy-3-isopropyl-3h,6h,7h,8h-pyrrolo[1,2-a]pyrazin-4-one
(3e,5z,7e)-3-methyl-8-phenylocta-3,5,7-trien-2-one
[(1r,2r,3r)-3-hydroxy-2-[(2z)-pent-2-en-1-yl]cyclopentyl]acetic acid
(3s,6s)-3-isopropyl-6-(2-methylpropyl)-3,6-dihydropyrazine-2,5-diol
C11H20N2O2 (212.15247000000002)
6-hydroxy-10-propyl-3,4,5,6,9,10-hexahydrooxecin-2-one
(5e,7z,13e)-pentadeca-5,7,13-trien-9,11-diyn-4-one
(6s,7e,10s)-6-hydroxy-10-propyl-3,4,5,6,9,10-hexahydrooxecin-2-one
[(1r,2s,3s)-3-hydroxy-2-(pent-2-en-1-yl)cyclopentyl]acetic acid
(3s,4r)-3-ethenyl-4-hydroxy-2,5-dimethylhex-5-en-2-yl acetate
4-hydroxy-3-methyl-6-(3-methylpentyl)-5,6-dihydropyran-2-one
(6r)-4-hydroxy-3-methyl-6-(3-methylpentyl)-5,6-dihydropyran-2-one
(2r)-1-hydroxy-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl acetate
(6r)-4-hydroxy-3-methyl-6-(4-methylpentyl)-5,6-dihydropyran-2-one
3-(2-methylpropyl)-6,7,8,9-tetrahydro-3h-1,4-diazonine-2,5-diol
C11H20N2O2 (212.15247000000002)