Exact Mass: 212.1125

Exact Mass Matches: 212.1125

Found 314 metabolites which its exact mass value is equals to given mass value 212.1125, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

p-Cumylphenol

2-Phenyl-2-(4-hydroxyphenyl)propane

C15H16O (212.1201)


   

Butabarbital

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylpropyl)-, monosodium salt

C10H16N2O3 (212.1161)


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

   

BURIMAMIDE

1-[4-(1H-imidazol-5-yl)butyl]-3-methylthiourea

C9H16N4S (212.1096)


D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents

   

Solvent Orange 3

Chrysoidine free base

C12H12N4 (212.1062)


   

4-Methoxydibenzyl

1-Methoxy-4-(2-phenylethyl)benzene

C15H16O (212.1201)


   

2-Amino-3,4-dimethylimidazo[4,5-f]quinoline

2-amino-3,4-Dimethyl-3H-imidazo[4,5-F]quinoline

C12H12N4 (212.1062)


2-Amino-3,4-dimethylimidazo[4,5-f]quinoline is found in animal foods. 2-Amino-3,4-dimethylimidazo[4,5-f]quinoline is isolated from sardines, beef extract and hamburger, probably widely distributed in cooked food Isolated from sardines, beef extract and hamburger, probably widely distributed in cooked foods. 2-Amino-3,4-dimethylimidazo[4,5-f]quinoline is found in fishes and animal foods. D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens

   

7-Deoxyloganetin

7-Deoxyloganetin

C11H16O4 (212.1049)


An iridoid monoterpenoid that is the methyl ester of 7-deoxyloganetic acid.

   

Prolylproline

(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

C10H16N2O3 (212.1161)


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

4-Methyl-7-(1-methylethenyl)-1-azulenemethanol, 9ci

C15H16O (212.1201)


Deterrol is found in mushrooms. Deterrol is isolated from the mushroom Lactarius deterrimus. Isolated from the mushroom Lactarius deterrimus. Deterrol is found in mushrooms.

   

Pyrocurzerenone

6,7-dihydro-1,5,8-trimethylnaphtho[2,1-b]-Furan, 9ci

C15H16O (212.1201)


Pyrocurzerenone is a constituent of the rhizomes of Curcuma zedoaria (zedoary). Constituent of the rhizomes of Curcuma zedoaria (zedoary)

   

11,12-Dihydrolactaroviolin

4-methyl-7-(propan-2-yl)azulene-1-carbaldehyde

C15H16O (212.1201)


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.

   

1,3-diphenylpropan-1-ol

1,3-diphenylpropan-1-ol

C15H16O (212.1201)


   

Butethal

5-Butyl-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione

C10H16N2O3 (212.1161)


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

   

3,4-Methyleneazelaic acid

3,4-dimethylidenenonanedioic acid

C11H16O4 (212.1049)


3,4-Methyleneazelaic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.

   

2,4-Diaminoazobenzene

4-(2-phenyldiazen-1-yl)benzene-1,3-diamine

C12H12N4 (212.1062)


   

Spiniferin-1

Spiniferin-1

C15H16O (212.1201)


   

Spiniferin-2

Spiniferin-2

C15H16O (212.1201)


   

7-Methyl-4-(1-methylethyl)-1-naphthalenecarboxaldehyde

7-Methyl-4-(1-methylethyl)-1-naphthalenecarboxaldehyde

C15H16O (212.1201)


   

Melazolide A

Melazolide A

C11H16O4 (212.1049)


   

Pallescensin E

Pallescensin E

C15H16O (212.1201)


   

1,5,8-Trimethyl-4,5-dihydronaphtho[2,1-b]furan

1,5,8-Trimethyl-4,5-dihydronaphtho[2,1-b]furan

C15H16O (212.1201)


   

CHEMBL444672

CHEMBL444672

C11H16O4 (212.1049)


   

Striatisporolide A

Striatisporolide A

C11H16O4 (212.1049)


   

Dihydrolinderazulene

Dihydrolinderazulene

C15H16O (212.1201)


   

Methylenolactocin

(-)-Methylenolactocin

C11H16O4 (212.1049)


   

3-Methoxybibenzyl

3-Methoxybibenzyl

C15H16O (212.1201)


   

7-Dihydro-4-methyl-7-(1-methylethylidene)-1-azulenecarboxaldehyde

7-Dihydro-4-methyl-7-(1-methylethylidene)-1-azulenecarboxaldehyde

C15H16O (212.1201)


   

15-Cadalenal

5-Methyl-8-(1-methylethyl)-naphthalenecarboxaldehyde

C15H16O (212.1201)


   

1-(3,4-Dimethoxyphenyl)-1,3-propanediol

1-(3,4-Dimethoxyphenyl)-1,3-propanediol

C11H16O4 (212.1049)


   
   

Rabenzazole

Rabenzazole

C12H12N4 (212.1062)


   

Dehydro-piliformic-acid

Dehydro-piliformic-acid

C11H16O4 (212.1049)


[Raw Data] CBA56_Dehydropilif_pos_30eV.txt [Raw Data] CBA56_Dehydropilif_pos_20eV.txt [Raw Data] CBA56_Dehydropilif_pos_10eV.txt

   

Lignarenone B|lignarenone-B

Lignarenone B|lignarenone-B

C15H16O (212.1201)


   

4-ISOPROPYL-4-BIPHENYLOL

4-ISOPROPYL-4-BIPHENYLOL

C15H16O (212.1201)


   

2-Methoxy-4-(1-methoxy-2-hydroxypropyl)phenol

2-Methoxy-4-(1-methoxy-2-hydroxypropyl)phenol

C11H16O4 (212.1049)


   

3,4-Dihydro-2,2-dimethyl-2H-naphtho[1,2-b]pyran

3,4-Dihydro-2,2-dimethyl-2H-naphtho[1,2-b]pyran

C15H16O (212.1201)


   

5,6-Dihydro-4-methoxy-6-(1-oxopentyl)-2H-pyran-2-one

5,6-Dihydro-4-methoxy-6-(1-oxopentyl)-2H-pyran-2-one

C11H16O4 (212.1049)


   

SCHEMBL15240706

SCHEMBL15240706

C11H16O4 (212.1049)


   

(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

(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

C15H16O (212.1201)


   

3-(3-methoxy-2-methyl-3-oxoprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid

3-(3-methoxy-2-methyl-3-oxoprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C11H16O4 (212.1049)


   

siphonostegiol

siphonostegiol

C11H16O4 (212.1049)


   

3,5,8-Trimethyl-8,9-dihydroazuleno[6,5-b]furan

3,5,8-Trimethyl-8,9-dihydroazuleno[6,5-b]furan

C15H16O (212.1201)


   

METHYLEUGENOLGLYCOL

METHYLEUGENOLGLYCOL

C11H16O4 (212.1049)


   

communiol H

communiol H

C11H16O4 (212.1049)


   

105986-09-2

105986-09-2

C15H16O (212.1201)


   

(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)

(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)

C15H16O (212.1201)


   
   

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)

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)

C15H16O (212.1201)


   

pentadeca-2t,8t,10t-triene-4,6-diynal

pentadeca-2t,8t,10t-triene-4,6-diynal

C15H16O (212.1201)


   

4-(3-Hydroxypropyl)-2,6-dimethoxyphenol

4-(3-Hydroxypropyl)-2,6-dimethoxyphenol

C11H16O4 (212.1049)


   

1-(3,5-dimethoxy-4-hydroxyphenyl)-1-propanol

1-(3,5-dimethoxy-4-hydroxyphenyl)-1-propanol

C11H16O4 (212.1049)


   

(1R,4aS,6S,7R,7aS)-6-hydroxy-1-methoxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde|1-O-methyl cachinol

(1R,4aS,6S,7R,7aS)-6-hydroxy-1-methoxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde|1-O-methyl cachinol

C11H16O4 (212.1049)


   

Eutypoxide B

Eutypoxide B

C11H16O4 (212.1049)


   

(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

(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

C15H16O (212.1201)


   

3-(3,5-Dimethoxyphenyl)-1,2-propanediol

3-(3,5-Dimethoxyphenyl)-1,2-propanediol

C11H16O4 (212.1049)


   

2,3-Dihydrolinderazulene

2,3-Dihydrolinderazulene

C15H16O (212.1201)


   

3,5-dihydroxy-2-methoxy-8-methylnona-2,6-diene 1,4-lactone

3,5-dihydroxy-2-methoxy-8-methylnona-2,6-diene 1,4-lactone

C11H16O4 (212.1049)


   

ACMC-20n20e

ACMC-20n20e

C15H16O (212.1201)


   

Tavacpallescensin

Tavacpallescensin

C15H16O (212.1201)


   

cassumunol A

cassumunol A

C11H16O4 (212.1049)


   

(3R,4aR,5S,6R)-6-hydroxy-5-methylramulosin

(3R,4aR,5S,6R)-6-hydroxy-5-methylramulosin

C11H16O4 (212.1049)


   

2-(2-Hydroxy-4-methylphenyl)-2-methoxypropane-1,3-diol

2-(2-Hydroxy-4-methylphenyl)-2-methoxypropane-1,3-diol

C11H16O4 (212.1049)


   

rel-(2R,3S,4aR,7S,7aR)-hexahydro-3-hydroxy-7-methyl-2-[(1E)-prop-1-en-1-yl]-5H-furo[3,4-b]pyran-5-one|theissenolactone A

rel-(2R,3S,4aR,7S,7aR)-hexahydro-3-hydroxy-7-methyl-2-[(1E)-prop-1-en-1-yl]-5H-furo[3,4-b]pyran-5-one|theissenolactone A

C11H16O4 (212.1049)


   

Maristachone B

Maristachone B

C11H16O4 (212.1049)


   

Pestalafuranone I

Pestalafuranone I

C11H16O4 (212.1049)


   

1beta-methoxy-7beta-hydroxy-7alpha-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde|campsinol

1beta-methoxy-7beta-hydroxy-7alpha-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde|campsinol

C11H16O4 (212.1049)


   

(4beta,8beta)-8-methoxy-3-methoxy-10-methylene-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol

(4beta,8beta)-8-methoxy-3-methoxy-10-methylene-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol

C11H16O4 (212.1049)


   

2,3-Dimethoxy-5-propyl-1,4-benzenediol

2,3-Dimethoxy-5-propyl-1,4-benzenediol

C11H16O4 (212.1049)


   

MS000158065

MS000158065

C11H16O4 (212.1049)


   

Neopanepoxydol

Neopanepoxydol

C11H16O4 (212.1049)


   

naphthyl prenyl ether

naphthyl prenyl ether

C15H16O (212.1201)


   
   

3,4,5-trimethyl-5,6-dihydronaphtho[2,3-b]furan

3,4,5-trimethyl-5,6-dihydronaphtho[2,3-b]furan

C15H16O (212.1201)


   

6,7-dihydroxy-2-propyl-2,4-octadien-4-olide

6,7-dihydroxy-2-propyl-2,4-octadien-4-olide

C11H16O4 (212.1049)


   

6-(1-Hydroxypentyl)-4-methoxy-2H-pyran-2-one

6-(1-Hydroxypentyl)-4-methoxy-2H-pyran-2-one

C11H16O4 (212.1049)


   

1,3,5,7(11),9-Guaiapentaen-15-al

1,3,5,7(11),9-Guaiapentaen-15-al

C15H16O (212.1201)


   

2,3,4,5-tetramethoxytoluene

2,3,4,5-tetramethoxytoluene

C11H16O4 (212.1049)


   

4-(Dimethoxymethyl)-1,2-dimethoxybenzene

4-(Dimethoxymethyl)-1,2-dimethoxybenzene

C11H16O4 (212.1049)


   

(RS)-3-Methoxy-6-oxodec-2-en-4-olid

(RS)-3-Methoxy-6-oxodec-2-en-4-olid

C11H16O4 (212.1049)


   

(E,E,)-1,8,10-Pentadecatriene-4,6-diyn-3-one|pentadeca-1,8t,10t-triene-4,6-diyn-3-one

(E,E,)-1,8,10-Pentadecatriene-4,6-diyn-3-one|pentadeca-1,8t,10t-triene-4,6-diyn-3-one

C15H16O (212.1201)


   

(2E,4R,5S)-2-ethylidene-5-(methoxycarbonyl)-4-methylhexano-5-lactone|(2S,3R,5E)-5-ethylidenetetrahydro-2,3-dimethyl-6-oxo-2H-pyran-2-carboxylic acid methyl ester|(4R,5S)-2-<(E)-ethylidene>-5-methoxycarbonyl-4-methyl-5-hexanolide

(2E,4R,5S)-2-ethylidene-5-(methoxycarbonyl)-4-methylhexano-5-lactone|(2S,3R,5E)-5-ethylidenetetrahydro-2,3-dimethyl-6-oxo-2H-pyran-2-carboxylic acid methyl ester|(4R,5S)-2-<(E)-ethylidene>-5-methoxycarbonyl-4-methyl-5-hexanolide

C11H16O4 (212.1049)


   

SCHEMBL11618248

SCHEMBL11618248

C11H16O4 (212.1049)


   

SCHEMBL3121559

SCHEMBL3121559

C15H16O (212.1201)


   

1-(3,4-Dimethoxyphenyl)propane-1,3-diol

1-(3,4-Dimethoxyphenyl)propane-1,3-diol

C11H16O4 (212.1049)


   

3-Isopropyl-6-hydroxy-1,6-trimethylenepiperazine-2,5-dione

3-Isopropyl-6-hydroxy-1,6-trimethylenepiperazine-2,5-dione

C10H16N2O3 (212.1161)


   

Depudecin

(1S,3E,6S)-1,2:5,6-dianhydro-3,4-dideoxy-1-[(1R)-1-hydroxyethyl]-6-[(1R)-1-hydroxyprop-2-en-1-yl]-D-threo-hex-3-enitol

C11H16O4 (212.1049)


Depudecin is a polyketide obtained from the fungus Alternaria brassicicola and having a highly unusual structure of an 11-carbon chain containing two epoxides and six stereogenic centres. It is an inhibitor of histone deacetylase (HDAC) both in vivo and in vitro and also exhibits anti-angiogenic activity. It has a role as an EC 3.5.1.98 (histone deacetylase) inhibitor and a fungal metabolite. (-)-Depudecin is a natural product found in Alternaria brassicicola and Xylaria with data available. Depudecin is depudecin is a fungal metabolite that reverts the rounded phenotype of NIH 3T3 fibroblasts transformed with v-ras and v-src oncogenes to the flattened phenotype of the non-transformed parental cells. The mechanism of de-transformation induced by this agent had not been determined. However, depudecin has been demonstrated to inhibit histone deacetylase (HDAC) activity effectively both in vivo and in vitro. A polyketide obtained from the fungus Alternaria brassicicola and having a highly unusual structure of an 11-carbon chain containing two epoxides and six stereogenic centres. It is an inhibitor of histone deacetylase (HDAC) both in vivo and in vitro and also exhibits anti-angiogenic activity.

   

propanol syringol

1-Propanol, 3-(4-hydroxy-3,5-dimethoxyphenyl)

C11H16O4 (212.1049)


4-(3-Hydroxypropyl)-2,6-dimethoxyphenol is a natural product found in Centaurea diffusa, Jurinea leptoloba, and other organisms with data available. Dihydrosinapyl alcohol, a natural product, can be obtained from lignocellulose by hydrogenation and hydrogenolysis[1][2]. Dihydrosinapyl alcohol, a natural product, can be obtained from lignocellulose by hydrogenation and hydrogenolysis[1][2].

   

butabarbital

butabarbital

C10H16N2O3 (212.1161)


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

5-Butyl-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione;5-Butyl-5-ethylbarbituric acid;5-Ethyl-5-butylbarbituric acid;5-Ethyl-5-N-butylbarbituric acid;Butabarbitol;Butobarbital;Butobarbitalum;Butobarbitone;Butobarbitural;Butyl,5-ethylbarbituric acid

C10H16N2O3 (212.1161)


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

   

Prolylproline

Prolylproline

C10H16N2O3 (212.1161)


Annotation level-3

   
   

Pro-pro

L-Prolyl-L-proline

C10H16N2O3 (212.1161)


A dipeptide formed from two L-proline residues.

   

11,12-Dihydrolactaroviolin

4-methyl-7-(propan-2-yl)azulene-1-carbaldehyde

C15H16O (212.1201)


   

Pyrocurzerenone

6,7-dihydro-1,5,8-trimethylnaphtho[2,1-b]-Furan, 9ci

C15H16O (212.1201)


   

Deterrol

4-Methyl-7-(1-methylethenyl)-1-azulenemethanol, 9ci

C15H16O (212.1201)


   

4-Methyl-5-oxo-2-pentyl-2,5-dihydro-3-furancarboxylic acid

4-Methyl-5-oxo-2-pentyl-2,5-dihydro-3-furancarboxylic acid

C11H16O4 (212.1049)


   

2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C12H12N4 (212.1062)


   

3,3-((OXYBIS(ETHANE-2,1-DIYL))BIS(OXY))DIPROPANENITRILE

3,3-((OXYBIS(ETHANE-2,1-DIYL))BIS(OXY))DIPROPANENITRILE

C10H16N2O3 (212.1161)


   

3,9-Divinyl-2,4,8,10-tetraoxaspiro[5.5]undecane

3,9-Divinyl-2,4,8,10-tetraoxaspiro[5.5]undecane

C11H16O4 (212.1049)


   

Phenol,4-methyl-2-(1-phenylethyl)-

Phenol,4-methyl-2-(1-phenylethyl)-

C15H16O (212.1201)


   

5,5-Dipropylbarbituric acid

5,5-Dipropylbarbituric acid

C10H16N2O3 (212.1161)


   

tert-Butyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate

tert-Butyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate

C10H16N2O3 (212.1161)


   

4-(pyrrolidin-1-ylmethyl)aniline hydrochloride

4-(pyrrolidin-1-ylmethyl)aniline hydrochloride

C11H17ClN2 (212.108)


   

Benzeneethanol, a-(phenylmethyl)-

Benzeneethanol, a-(phenylmethyl)-

C15H16O (212.1201)


   

4-PIPERIDINOANILINE HYDROCHLORIDE

4-PIPERIDINOANILINE HYDROCHLORIDE

C11H17ClN2 (212.108)


   

(7R,9AS)-METHYL 1-OXOOCTAHYDRO-1H-PYRIDO[1,2-A]PYRAZINE-7-CARBOXYLATE

(7R,9AS)-METHYL 1-OXOOCTAHYDRO-1H-PYRIDO[1,2-A]PYRAZINE-7-CARBOXYLATE

C10H16N2O3 (212.1161)


   

3,4-dimethylimidazo[4,5-f]quinolin-2-amine

3,4-dimethylimidazo[4,5-f]quinolin-2-amine

C12H12N4 (212.1062)


   

Benzeneethanol, a-methyl-b-phenyl-

Benzeneethanol, a-methyl-b-phenyl-

C15H16O (212.1201)


   

2,4-Bis(methoxymethoxy)-1-methylbenzene

2,4-Bis(methoxymethoxy)-1-methylbenzene

C11H16O4 (212.1049)


   

bicyclo[3.2.1]octane-1,5-dicarboxylic acid Monomethyl ester

bicyclo[3.2.1]octane-1,5-dicarboxylic acid Monomethyl ester

C11H16O4 (212.1049)


   

3-(4-Methoxybenzyloxy)-1,2-propanediol

3-(4-Methoxybenzyloxy)-1,2-propanediol

C11H16O4 (212.1049)


   

Benzeneethanol, a-methyl-a-phenyl-

Benzeneethanol, a-methyl-a-phenyl-

C15H16O (212.1201)


   

3,5-DIMETHYLBENZHYDROL

3,5-DIMETHYLBENZHYDROL

C15H16O (212.1201)


   

Dimethyl bicyclo[2.2.1]heptane-1,4-dicarboxylate

Dimethyl bicyclo[2.2.1]heptane-1,4-dicarboxylate

C11H16O4 (212.1049)


   

1-ethyl-2,3-dimethylimidazol-3-ium,tetrafluoroborate

1-ethyl-2,3-dimethylimidazol-3-ium,tetrafluoroborate

C7H13BF4N2 (212.1108)


   

2-Oxabicyclo[2.2.1]heptane-1-carboxylicacid,4,7,7-trimethyl-3-oxo-,hydrazide(9CI)

2-Oxabicyclo[2.2.1]heptane-1-carboxylicacid,4,7,7-trimethyl-3-oxo-,hydrazide(9CI)

C10H16N2O3 (212.1161)


   

Benzenemethanol,4-methyl-a-(4-methylphenyl)-

Benzenemethanol,4-methyl-a-(4-methylphenyl)-

C15H16O (212.1201)


   

5-(2-Piperidin-1-yl-ethyl)-[1,3,4]thiadiazol-2-yl-amine

5-(2-Piperidin-1-yl-ethyl)-[1,3,4]thiadiazol-2-yl-amine

C9H16N4S (212.1096)


   

2,2-Dimethyl-3,4-dihydro-2H-benzo[h]chromene

2,2-Dimethyl-3,4-dihydro-2H-benzo[h]chromene

C15H16O (212.1201)


   

1-(2-Methylphenyl)piperazinhydrochlorid

1-(2-Methylphenyl)piperazinhydrochlorid

C11H17ClN2 (212.108)


   

TERT-BUTYL (4,5-DIMETHYLISOXAZOL-3-YL)CARBAMATE

TERT-BUTYL (4,5-DIMETHYLISOXAZOL-3-YL)CARBAMATE

C10H16N2O3 (212.1161)


   

Diethyl 3-cyclopentene-1,1-dicarboxylate

Diethyl 3-cyclopentene-1,1-dicarboxylate

C11H16O4 (212.1049)


   

(R)-N-BOC-2-CYANOMORPHOLINE

(R)-N-BOC-2-CYANOMORPHOLINE

C10H16N2O3 (212.1161)


   

(S)-N-BOC-2-CYANOMORPHOLINE

(S)-N-BOC-2-CYANOMORPHOLINE

C10H16N2O3 (212.1161)


   

(R)-N-Boc-3-Cyanomorpholine

(R)-N-Boc-3-Cyanomorpholine

C10H16N2O3 (212.1161)


   

(S)-N-Boc-3-Cyanomorpholine

(S)-N-Boc-3-Cyanomorpholine

C10H16N2O3 (212.1161)


   

1-Benzyl Piperazine HCL

1-Benzyl Piperazine HCL

C11H17ClN2 (212.108)


   

2-OXO-1-(2-OXO-PROPYL)-CYCLOPENTANECARBOXYLIC ACID ETHYL ESTER

2-OXO-1-(2-OXO-PROPYL)-CYCLOPENTANECARBOXYLIC ACID ETHYL ESTER

C11H16O4 (212.1049)


   

tert-butyl (2S)-2-carbamoyl-2,3-dihydropyrrole-1-carboxylate

tert-butyl (2S)-2-carbamoyl-2,3-dihydropyrrole-1-carboxylate

C10H16N2O3 (212.1161)


   

UNII:N6222F124L

UNII:N6222F124L

C11H16O4 (212.1049)


   

(R)CYANO(3-PHENOXYPHENYL)-3-(2,2-DICHLOROETHENYL)2,2-DIMETHYLCYCLOPROPANECARBOXYLICACIDMETHYLESTER

(R)CYANO(3-PHENOXYPHENYL)-3-(2,2-DICHLOROETHENYL)2,2-DIMETHYLCYCLOPROPANECARBOXYLICACIDMETHYLESTER

C15H16O (212.1201)


   

4-(4-n-Propylphenyl)phenol

4-(4-n-Propylphenyl)phenol

C15H16O (212.1201)


   

4-(4,4-Difluoro-1-piperidinyl)aniline

4-(4,4-Difluoro-1-piperidinyl)aniline

C11H14F2N2 (212.1125)


   

2-(3,4,5-Trimethoxyphenyl)ethanol

2-(3,4,5-Trimethoxyphenyl)ethanol

C11H16O4 (212.1049)


   

1,3,5-TRIMETHYL-2-PHENOXY-BENZENE

1,3,5-TRIMETHYL-2-PHENOXY-BENZENE

C15H16O (212.1201)


   

6-ACETYL-2-ISOPROPYLNAPHTHALENE

6-ACETYL-2-ISOPROPYLNAPHTHALENE

C15H16O (212.1201)


   

(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine

(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine

C10H16N2O3 (212.1161)


   

4,4-azodianiline

4,4-azodianiline

C12H12N4 (212.1062)


   

2-(4-Biphenylyl)-2-propanol

2-(4-Biphenylyl)-2-propanol

C15H16O (212.1201)


   

4-(TERT-BUTYL)BENZIMIDAMIDE HYDROCHLORIDE

4-(TERT-BUTYL)BENZIMIDAMIDE HYDROCHLORIDE

C11H17ClN2 (212.108)


   

1,5-Pentanediyl bisacrylate

1,5-Pentanediyl bisacrylate

C11H16O4 (212.1049)


   

Benzenemethanol,3,4,5-trimethoxy-a-methyl-

Benzenemethanol,3,4,5-trimethoxy-a-methyl-

C11H16O4 (212.1049)


   

1-(Cyanomethyl)piperidinium tetrafluoroborate

1-(Cyanomethyl)piperidinium tetrafluoroborate

C7H13BF4N2 (212.1108)


   

5-amino-1-(2,4-dimethylphenyl)-1H-pyrazole-4-carbonitrile

5-amino-1-(2,4-dimethylphenyl)-1H-pyrazole-4-carbonitrile

C12H12N4 (212.1062)


   

1[(2,4,5-trimethoxyphenyl)methyl]hydrazine

1[(2,4,5-trimethoxyphenyl)methyl]hydrazine

C10H16N2O3 (212.1161)


   

guaietolin

guaietolin

C11H16O4 (212.1049)


C78273 - Agent Affecting Respiratory System > C29767 - Expectorant

   

1,2-PROPANEDIOL DIMETHACRYLATE

1,2-PROPANEDIOL DIMETHACRYLATE

C11H16O4 (212.1049)


   

N-(2,6-DIMETHYLPHENL)-2-PIPERIDINECARBOXAMIDE

N-(2,6-DIMETHYLPHENL)-2-PIPERIDINECARBOXAMIDE

C11H17ClN2 (212.108)


   

Benzene,1-methoxy-4-(1-phenylethyl)-

Benzene,1-methoxy-4-(1-phenylethyl)-

C15H16O (212.1201)


   

4-N-Butylbenzamidinehydrochloride

4-N-Butylbenzamidinehydrochloride

C11H17ClN2 (212.108)


   

6-Ethyl-1H-pyrazolo[3,4-b]quinolin-3-ylamine

6-Ethyl-1H-pyrazolo[3,4-b]quinolin-3-ylamine

C12H12N4 (212.1062)


   

(7R,9AR)-METHYL 1-OXOOCTAHYDRO-1H-PYRIDO[1,2-A]PYRAZINE-7-CARBOXYLATE

(7R,9AR)-METHYL 1-OXOOCTAHYDRO-1H-PYRIDO[1,2-A]PYRAZINE-7-CARBOXYLATE

C10H16N2O3 (212.1161)


   

1-METHYL-2-PHENYL-PIPERAZINEHYDROCHLORIDE

1-METHYL-2-PHENYL-PIPERAZINEHYDROCHLORIDE

C11H17ClN2 (212.108)


   

1-(2-Naphthalenyl)-1-pentanone

1-(2-Naphthalenyl)-1-pentanone

C15H16O (212.1201)


   

dimethyl 2,2-bis(prop-2-enyl)propanedioate

dimethyl 2,2-bis(prop-2-enyl)propanedioate

C11H16O4 (212.1049)


   

1-(o-Tolyl)piperazine Hydrochloride

1-(o-Tolyl)piperazine Hydrochloride

C11H17ClN2 (212.108)


   

2,3,5-TRIMETHYLDIPHENYL ETHER

2,3,5-TRIMETHYLDIPHENYL ETHER

C15H16O (212.1201)


   

1-(3-Pyridinyl)cyclohexanamine hydrochloride (1:1)

1-(3-Pyridinyl)cyclohexanamine hydrochloride (1:1)

C11H17ClN2 (212.108)


   

1-(2-Pyridinyl)cyclohexanamine hydrochloride (1:1)

1-(2-Pyridinyl)cyclohexanamine hydrochloride (1:1)

C11H17ClN2 (212.108)


   

Benzene, 1-ethyl-3-(phenylmethoxy)- (9CI)

Benzene, 1-ethyl-3-(phenylmethoxy)- (9CI)

C15H16O (212.1201)


   

3,3-Diphenyl-1-propanol

3,3-Diphenyl-1-propanol

C15H16O (212.1201)


   

N-ETHYL-1,2,3,4-TETRAHYDRO-7-QUINOLINAMINE HYDROCHLORIDE

N-ETHYL-1,2,3,4-TETRAHYDRO-7-QUINOLINAMINE HYDROCHLORIDE

C11H17ClN2 (212.108)


   

1-(1-PROPYNYL)CYCLOHEXANOL

1-(1-PROPYNYL)CYCLOHEXANOL

C11H14F2N2 (212.1125)


   

1,1-Biphenyl,4-propoxy-

1,1-Biphenyl,4-propoxy-

C15H16O (212.1201)


   

(2R,3R)-(-)-2-Benzyloxy-1,3,4-butanetriol

(2R,3R)-(-)-2-Benzyloxy-1,3,4-butanetriol

C11H16O4 (212.1049)


   

(3S,6S,8AS)-METHYL 6-AMINO-5-OXOOCTAHYDROINDOLIZINE-3-CARBOXYLATE

(3S,6S,8AS)-METHYL 6-AMINO-5-OXOOCTAHYDROINDOLIZINE-3-CARBOXYLATE

C10H16N2O3 (212.1161)


   

3-Phenyl-5,6,7,8-tetrahydro-pyrido[4,3-e][1,2,4]triazine

3-Phenyl-5,6,7,8-tetrahydro-pyrido[4,3-e][1,2,4]triazine

C12H12N4 (212.1062)


   

1-Naphthalen-1-yl-pentan-1-one

1-Naphthalen-1-yl-pentan-1-one

C15H16O (212.1201)


   

2,7-DIACETOXYBICYCLO[2.2.1]HEPTANE

2,7-DIACETOXYBICYCLO[2.2.1]HEPTANE

C11H16O4 (212.1049)


   

N-Boc-3-Cyanomorpholine

N-Boc-3-Cyanomorpholine

C10H16N2O3 (212.1161)


   

2-chloro-5-heptylpyrimidine

2-chloro-5-heptylpyrimidine

C11H17ClN2 (212.108)


   

4-(Methoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid

4-(Methoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid

C11H16O4 (212.1049)


   

Neopentylglycol diacrylate

Neopentylglycol diacrylate

C11H16O4 (212.1049)


   

3-(PIPERIDIN-4-YL)ANILINE HYDROCHLORIDE

3-(PIPERIDIN-4-YL)ANILINE HYDROCHLORIDE

C11H17ClN2 (212.108)


   

IODOPENTAFLUOROBENZENE

IODOPENTAFLUOROBENZENE

C10H16N2O3 (212.1161)


   

tert-Butyl 2-cyanomorpholine-4-carboxylate

tert-Butyl 2-cyanomorpholine-4-carboxylate

C10H16N2O3 (212.1161)


   

Diethyl 2-(but-3-yn-1-yl)malonate

Diethyl 2-(but-3-yn-1-yl)malonate

C11H16O4 (212.1049)


   

Phosphoric acid, octyl ester

Phosphoric acid, octyl ester

C8H21O4P (212.1177)


   

1-Benzylpiperazine HCl

1-Benzylpiperazine HCl

C11H17ClN2 (212.108)


   

4-(4-Piperidinyl)aniline hydrochloride (1:1)

4-(4-Piperidinyl)aniline hydrochloride (1:1)

C11H17ClN2 (212.108)


   

Ingenol Mebutate

Ingenol Mebutate

C15H16O (212.1201)


   

1-propylene-3-methylimidazolium tetrafluoroborate

1-propylene-3-methylimidazolium tetrafluoroborate

C7H13BF4N2 (212.1108)


   

1-(2,3-EPOXYPROPYL)-4-TERT-BUTOXYCARBONYLPIPERAZINE

1-(2,3-EPOXYPROPYL)-4-TERT-BUTOXYCARBONYLPIPERAZINE

C10H16N2O3 (212.1161)


   

2-VINYLCYCLOPROPANE-1,1-DICARBOXYLIC ACID DIETHYL ESTER

2-VINYLCYCLOPROPANE-1,1-DICARBOXYLIC ACID DIETHYL ESTER

C11H16O4 (212.1049)


   

Spiro[3.3]heptane-2,6-dicarboxylicacid, 2-ethyl ester

Spiro[3.3]heptane-2,6-dicarboxylicacid, 2-ethyl ester

C11H16O4 (212.1049)


   

(S)-(+)-1,1-DIPHENYL-2-PROPANOL

(S)-(+)-1,1-DIPHENYL-2-PROPANOL

C15H16O (212.1201)


   

tert-Butyl 3-cyano-3-hydroxypyrrolidine-1-carboxylate

tert-Butyl 3-cyano-3-hydroxypyrrolidine-1-carboxylate

C10H16N2O3 (212.1161)


   

(4-(trifluoromethyl)pyridin-2-yl)methanamine

(4-(trifluoromethyl)pyridin-2-yl)methanamine

C12H12N4 (212.1062)


   

5-tert-butyl-4-(hydroxymethyl)-2-methylfuran-3-carboxylic acid

5-tert-butyl-4-(hydroxymethyl)-2-methylfuran-3-carboxylic acid

C11H16O4 (212.1049)


   

Benzenemethanol,2-(2-phenylethyl)-

Benzenemethanol,2-(2-phenylethyl)-

C15H16O (212.1201)


   

5-amino-3-ethyl-1-phenyl-1H-pyrazole-4-carbonitrile

5-amino-3-ethyl-1-phenyl-1H-pyrazole-4-carbonitrile

C12H12N4 (212.1062)


   

6,7-Dimethyl-1H-pyrazolo[3,4-b]quinolin-3-ylamine

6,7-Dimethyl-1H-pyrazolo[3,4-b]quinolin-3-ylamine

C12H12N4 (212.1062)


   

(E)-4-(4-ethylpiperazin-1-yl)-4-oxobut-2-enoic acid

(E)-4-(4-ethylpiperazin-1-yl)-4-oxobut-2-enoic acid

C10H16N2O3 (212.1161)


   

1,2,3-Trimethoxy-5-(methoxymethyl)benzene

1,2,3-Trimethoxy-5-(methoxymethyl)benzene

C11H16O4 (212.1049)


   

1-(2,3,4-Trimethoxyphenyl)ethanol

1-(2,3,4-Trimethoxyphenyl)ethanol

C11H16O4 (212.1049)


   

14310-21-5

Benzene, 1-methoxy-4-(2-phenylethyl)-

C15H16O (212.1201)


   

Striastisporolide A

Striastisporolide A

C11H16O4 (212.1049)


   

(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-indene-4-carboxylic acid

(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-3,3a,4,5,6,7-hexahydro-2H-indene-4-carboxylic acid

C11H16O4 (212.1049)


   

Dihydrocanadensolide

Dihydrocanadensolide

C11H16O4 (212.1049)


A member of the class of furofurans that is tetrahydrofuro[3,4-b]furan-2,4-dione substituted at positions 3 and 6 by methyl and butyl groups respectively (the 3R,3aR,6S,6aS-stereoisomer).

   

Varenicline(1+)

Varenicline(1+)

C13H14N3+ (212.1188)


   

(1R)-1-[(2S,3S)-3-[2-[(2S,3S)-3-[(1R)-1-hydroxyethyl]-2-oxiranyl]ethenyl]-2-oxiranyl]-2-propen-1-ol

(1R)-1-[(2S,3S)-3-[2-[(2S,3S)-3-[(1R)-1-hydroxyethyl]-2-oxiranyl]ethenyl]-2-oxiranyl]-2-propen-1-ol

C11H16O4 (212.1049)


   

(1R)-1-[(2S,3R)-3-[2-[(2S,3R)-3-[(1R)-1-hydroxyethyl]oxiran-2-yl]ethenyl]oxiran-2-yl]prop-2-en-1-ol

(1R)-1-[(2S,3R)-3-[2-[(2S,3R)-3-[(1R)-1-hydroxyethyl]oxiran-2-yl]ethenyl]oxiran-2-yl]prop-2-en-1-ol

C11H16O4 (212.1049)


   

3,5-Bis(methoxycarbonylmethyl)cyclopentene

3,5-Bis(methoxycarbonylmethyl)cyclopentene

C11H16O4 (212.1049)


   

MeIQ

2-amino-3,4-dimethylimidazo(4,5-F)Quinoline

C12H12N4 (212.1062)


D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens

   

BURIMAMIDE

BURIMAMIDE

C9H16N4S (212.1096)


D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents

   

4-Cumylphenol

4-Cumylphenol

C15H16O (212.1201)


   

3,4-Methyleneazelaic acid

3,4-Methyleneazelaic acid

C11H16O4 (212.1049)


   

4-(4-ethyl-1-piperazinyl)-4-oxo-2-butenoic acid

4-(4-ethyl-1-piperazinyl)-4-oxo-2-butenoic acid

C10H16N2O3 (212.1161)


   

Cumylphenol

Cumylphenol

C15H16O (212.1201)


   

6-[(3s)-3-hydroxybutan-2-yl]-4-methoxy-5-methylpyran-2-one

6-[(3s)-3-hydroxybutan-2-yl]-4-methoxy-5-methylpyran-2-one

C11H16O4 (212.1049)


   

pentadeca-2,8,10-trien-4,6-diynal

pentadeca-2,8,10-trien-4,6-diynal

C15H16O (212.1201)


   

2-(1,5-dihydroxypent-2-en-2-yl)-3-(hydroxymethyl)cyclopent-2-en-1-one

2-(1,5-dihydroxypent-2-en-2-yl)-3-(hydroxymethyl)cyclopent-2-en-1-one

C11H16O4 (212.1049)


   

6-(3-hydroxybutan-2-yl)-4-methoxy-5-methylpyran-2-one

6-(3-hydroxybutan-2-yl)-4-methoxy-5-methylpyran-2-one

C11H16O4 (212.1049)


   

4-methyl-7-(prop-1-en-2-yl)-6,7-dihydroazulene-1-carbaldehyde

4-methyl-7-(prop-1-en-2-yl)-6,7-dihydroazulene-1-carbaldehyde

C15H16O (212.1201)


   

(5r)-1,5,8-trimethyl-4h,5h-naphtho[2,1-b]furan

(5r)-1,5,8-trimethyl-4h,5h-naphtho[2,1-b]furan

C15H16O (212.1201)


   

(1r)-1-[(2s,3s)-3-[(1e)-2-[(3s)-3-[(1r)-1-hydroxyethyl]oxiran-2-yl]ethenyl]oxiran-2-yl]prop-2-en-1-ol

(1r)-1-[(2s,3s)-3-[(1e)-2-[(3s)-3-[(1r)-1-hydroxyethyl]oxiran-2-yl]ethenyl]oxiran-2-yl]prop-2-en-1-ol

C11H16O4 (212.1049)


   

4b-methyl-5,6,7,8-tetrahydrophenanthren-1-one

4b-methyl-5,6,7,8-tetrahydrophenanthren-1-one

C15H16O (212.1201)


   

10,10-dimethyl-4-oxatricyclo[7.4.1.0³,⁷]tetradeca-1,3(7),5,8,12-pentaene

10,10-dimethyl-4-oxatricyclo[7.4.1.0³,⁷]tetradeca-1,3(7),5,8,12-pentaene

C15H16O (212.1201)


   

(1r,2r,3s,4r)-2-(3-methylbut-3-en-1-yn-1-yl)cyclohexane-1,2,3,4-tetrol

(1r,2r,3s,4r)-2-(3-methylbut-3-en-1-yn-1-yl)cyclohexane-1,2,3,4-tetrol

C11H16O4 (212.1049)


   

4-(hydroxymethyl)-2-(3-methylbutyl)furan-3-carboxylic acid

4-(hydroxymethyl)-2-(3-methylbutyl)furan-3-carboxylic acid

C11H16O4 (212.1049)


   

(5e,7e,13e)-pentadeca-5,7,13-trien-9,11-diyn-4-one

(5e,7e,13e)-pentadeca-5,7,13-trien-9,11-diyn-4-one

C15H16O (212.1201)


   

(3as,5r,7as)-5-hydroxy-7a-(hydroxymethyl)-4,4-dimethyl-3a,5-dihydro-3h-1-benzofuran-2-one

(3as,5r,7as)-5-hydroxy-7a-(hydroxymethyl)-4,4-dimethyl-3a,5-dihydro-3h-1-benzofuran-2-one

C11H16O4 (212.1049)


   

1-Acetyl-4,6,8-trimethylazulene

1-(4,6,8-trimethylazulen-1-yl)ethanone; 1-(4,6,8-Trimethyl-1-azulenyl)ethanone

C15H16O (212.1201)


{"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

NA

C15H16O (212.1201)


{"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"}

   

6-(2,3-dihydroxypentan-2-yl)-3-methylpyran-2-one

6-(2,3-dihydroxypentan-2-yl)-3-methylpyran-2-one

C11H16O4 (212.1049)


   

(3r)-3,5,8-trimethyl-2h,3h-azuleno[6,5-b]furan

(3r)-3,5,8-trimethyl-2h,3h-azuleno[6,5-b]furan

C15H16O (212.1201)


   

11,14-dimethyl-4-oxatricyclo[8.4.0.0³,⁷]tetradeca-1(10),3(7),5,11,13-pentaene

11,14-dimethyl-4-oxatricyclo[8.4.0.0³,⁷]tetradeca-1(10),3(7),5,11,13-pentaene

C15H16O (212.1201)


   

4-(2-hydroxy-1-methoxypropyl)-2-methoxyphenol

4-(2-hydroxy-1-methoxypropyl)-2-methoxyphenol

C11H16O4 (212.1049)


   

2-[(2z)-1,5-dihydroxypent-2-en-2-yl]-3-(hydroxymethyl)cyclopent-2-en-1-one

2-[(2z)-1,5-dihydroxypent-2-en-2-yl]-3-(hydroxymethyl)cyclopent-2-en-1-one

C11H16O4 (212.1049)


   

1-methoxy-3-(2-phenylethyl)benzene

1-methoxy-3-(2-phenylethyl)benzene

C15H16O (212.1201)


   

5-hydroxy-7a-(hydroxymethyl)-4,4-dimethyl-3a,5-dihydro-3h-1-benzofuran-2-one

5-hydroxy-7a-(hydroxymethyl)-4,4-dimethyl-3a,5-dihydro-3h-1-benzofuran-2-one

C11H16O4 (212.1049)


   

(3r,6s,7r)-6,7-dihydroxy-3,7-dimethyl-3,4,5,6-tetrahydro-1h-2-benzopyran-8-one

(3r,6s,7r)-6,7-dihydroxy-3,7-dimethyl-3,4,5,6-tetrahydro-1h-2-benzopyran-8-one

C11H16O4 (212.1049)


   

pentadeca-1,8,10,14-tetraen-4,6-diyn-3-ol

pentadeca-1,8,10,14-tetraen-4,6-diyn-3-ol

C15H16O (212.1201)


   

(2r,3s)-4-methylidene-5-oxo-2-pentyloxolane-3-carboxylic acid

(2r,3s)-4-methylidene-5-oxo-2-pentyloxolane-3-carboxylic acid

C11H16O4 (212.1049)


   

(5e,7e,13e)-pentadeca-5,7,13-trien-9,11-diynal

(5e,7e,13e)-pentadeca-5,7,13-trien-9,11-diynal

C15H16O (212.1201)


   

3-ethyl-3-hydroxy-6-(sec-butyl)pyran-2,4-dione

3-ethyl-3-hydroxy-6-(sec-butyl)pyran-2,4-dione

C11H16O4 (212.1049)


   

methyl (2s,3r,5e)-5-ethylidene-2,3-dimethyl-6-oxooxane-2-carboxylate

methyl (2s,3r,5e)-5-ethylidene-2,3-dimethyl-6-oxooxane-2-carboxylate

C11H16O4 (212.1049)


   

(2s)-4-methyl-5-oxo-2-pentyl-2h-furan-3-carboxylic acid

(2s)-4-methyl-5-oxo-2-pentyl-2h-furan-3-carboxylic acid

C11H16O4 (212.1049)


   

(4s,4as,7as)-4,7-bis(hydroxymethyl)-4-methyl-1h,4ah,5h,7ah-cyclopenta[c]pyran-3-one

(4s,4as,7as)-4,7-bis(hydroxymethyl)-4-methyl-1h,4ah,5h,7ah-cyclopenta[c]pyran-3-one

C11H16O4 (212.1049)


   

6-[(1r)-1-hydroxypentyl]-4-methoxypyran-2-one

6-[(1r)-1-hydroxypentyl]-4-methoxypyran-2-one

C11H16O4 (212.1049)


   

(3as,5r,7ar)-5-hydroxy-7a-(hydroxymethyl)-4,4-dimethyl-3a,5-dihydro-3h-1-benzofuran-2-one

(3as,5r,7ar)-5-hydroxy-7a-(hydroxymethyl)-4,4-dimethyl-3a,5-dihydro-3h-1-benzofuran-2-one

C11H16O4 (212.1049)


   

3,5,8-trimethyl-8h,9h-azuleno[6,5-b]furan

3,5,8-trimethyl-8h,9h-azuleno[6,5-b]furan

C15H16O (212.1201)


   

(3s,8ar)-1,8a-dihydroxy-3-isopropyl-3h,6h,7h,8h-pyrrolo[1,2-a]pyrazin-4-one

(3s,8ar)-1,8a-dihydroxy-3-isopropyl-3h,6h,7h,8h-pyrrolo[1,2-a]pyrazin-4-one

C10H16N2O3 (212.1161)


   

4-methyl-7-(propan-2-ylidene)-6h-azulene-1-carbaldehyde

4-methyl-7-(propan-2-ylidene)-6h-azulene-1-carbaldehyde

C15H16O (212.1201)


   

13,14-dimethyl-4-oxatricyclo[8.4.0.0³,⁷]tetradeca-1(14),3(7),5,10,12-pentaene

13,14-dimethyl-4-oxatricyclo[8.4.0.0³,⁷]tetradeca-1(14),3(7),5,10,12-pentaene

C15H16O (212.1201)


   

8-isopropyl-5-methylnaphthalene-2-carbaldehyde

8-isopropyl-5-methylnaphthalene-2-carbaldehyde

C15H16O (212.1201)


   

methyl 5-ethylidene-2,3-dimethyl-6-oxooxane-2-carboxylate

methyl 5-ethylidene-2,3-dimethyl-6-oxooxane-2-carboxylate

C11H16O4 (212.1049)


   

3-ethyl-4-hydroxy-6-[(2s)-3-hydroxybutan-2-yl]pyran-2-one

3-ethyl-4-hydroxy-6-[(2s)-3-hydroxybutan-2-yl]pyran-2-one

C11H16O4 (212.1049)


   

4-methyl-5-oxo-2-pentyl-2h-furan-3-carboxylic acid

4-methyl-5-oxo-2-pentyl-2h-furan-3-carboxylic acid

C11H16O4 (212.1049)


   

5-[(1r)-1-hydroxybutyl]-4-methoxy-6-methylpyran-2-one

5-[(1r)-1-hydroxybutyl]-4-methoxy-6-methylpyran-2-one

C11H16O4 (212.1049)


   

(7e)-3-methyl-8-phenylocta-3,5,7-trien-2-one

(7e)-3-methyl-8-phenylocta-3,5,7-trien-2-one

C15H16O (212.1201)


   

(2e)-4-[(3r,5s)-5-[(1s)-1-hydroxypropyl]-2-oxooxolan-3-yl]but-2-enal

(2e)-4-[(3r,5s)-5-[(1s)-1-hydroxypropyl]-2-oxooxolan-3-yl]but-2-enal

C11H16O4 (212.1049)


   

5-[(2s)-2-hydroxybutyl]-4-methoxy-6-methylpyran-2-one

5-[(2s)-2-hydroxybutyl]-4-methoxy-6-methylpyran-2-one

C11H16O4 (212.1049)


   

(2r,4r,8s)-8-hydroxy-4-methoxy-2-methyl-2,3,4,6,7,8-hexahydro-1-benzopyran-5-one

(2r,4r,8s)-8-hydroxy-4-methoxy-2-methyl-2,3,4,6,7,8-hexahydro-1-benzopyran-5-one

C11H16O4 (212.1049)


   

(7s)-4-methyl-7-(prop-1-en-2-yl)-6,7-dihydroazulene-1-carbaldehyde

(7s)-4-methyl-7-(prop-1-en-2-yl)-6,7-dihydroazulene-1-carbaldehyde

C15H16O (212.1201)


   

1,8a-dihydroxy-3-isopropyl-3h,6h,7h,8h-pyrrolo[1,2-a]pyrazin-4-one

1,8a-dihydroxy-3-isopropyl-3h,6h,7h,8h-pyrrolo[1,2-a]pyrazin-4-one

C10H16N2O3 (212.1161)


   

(5z)-5-[(2s,3r)-2,3-dihydroxybutylidene]-3-propylfuran-2-one

(5z)-5-[(2s,3r)-2,3-dihydroxybutylidene]-3-propylfuran-2-one

C11H16O4 (212.1049)


   

(6r,7r)-6,7-dihydroxy-3,7-dimethyl-3,4,5,6-tetrahydro-1h-2-benzopyran-8-one

(6r,7r)-6,7-dihydroxy-3,7-dimethyl-3,4,5,6-tetrahydro-1h-2-benzopyran-8-one

C11H16O4 (212.1049)


   

(5e,7e)-pentadeca-5,7-dien-9,11,13-triyn-1-ol

(5e,7e)-pentadeca-5,7-dien-9,11,13-triyn-1-ol

C15H16O (212.1201)


   

4-isopropyl-7-methylnaphthalene-1-carbaldehyde

4-isopropyl-7-methylnaphthalene-1-carbaldehyde

C15H16O (212.1201)


   

3,4,5-trimethyl-5h,8h-naphtho[2,3-b]furan

3,4,5-trimethyl-5h,8h-naphtho[2,3-b]furan

C15H16O (212.1201)


   

(2s,3r)-4-methylidene-5-oxo-2-pentyloxolane-3-carboxylic acid

(2s,3r)-4-methylidene-5-oxo-2-pentyloxolane-3-carboxylic acid

C11H16O4 (212.1049)


   

3-methyl-8-phenylocta-3,5,7-trien-2-one

3-methyl-8-phenylocta-3,5,7-trien-2-one

C15H16O (212.1201)


   

(5s)-4-methoxy-5-(2-oxohexyl)-5h-furan-2-one

(5s)-4-methoxy-5-(2-oxohexyl)-5h-furan-2-one

C11H16O4 (212.1049)


   

(3e,5e,7e)-3-methyl-8-phenylocta-3,5,7-trien-2-one

(3e,5e,7e)-3-methyl-8-phenylocta-3,5,7-trien-2-one

C15H16O (212.1201)


   

5-(2-hydroxybutyl)-4-methoxy-6-methylpyran-2-one

5-(2-hydroxybutyl)-4-methoxy-6-methylpyran-2-one

C11H16O4 (212.1049)


   

(4bs)-4b-methyl-5,6,7,8-tetrahydrophenanthren-1-one

(4bs)-4b-methyl-5,6,7,8-tetrahydrophenanthren-1-one

C15H16O (212.1201)


   

(5s)-3,4,5-trimethyl-5h,8h-naphtho[2,3-b]furan

(5s)-3,4,5-trimethyl-5h,8h-naphtho[2,3-b]furan

C15H16O (212.1201)


   

(2e,8e,10e)-pentadeca-2,8,10-trien-4,6-diynal

(2e,8e,10e)-pentadeca-2,8,10-trien-4,6-diynal

C15H16O (212.1201)


   

(3r,3ar,6r,6as)-6-butyl-3-methyl-tetrahydrofuro[3,4-b]furan-2,4-dione

(3r,3ar,6r,6as)-6-butyl-3-methyl-tetrahydrofuro[3,4-b]furan-2,4-dione

C11H16O4 (212.1049)


   

(5z)-5-[(2s,3s)-2,3-dihydroxybutylidene]-3-propylfuran-2-one

(5z)-5-[(2s,3s)-2,3-dihydroxybutylidene]-3-propylfuran-2-one

C11H16O4 (212.1049)


   

6-butyl-3-methyl-tetrahydrofuro[3,4-b]furan-2,4-dione

6-butyl-3-methyl-tetrahydrofuro[3,4-b]furan-2,4-dione

C11H16O4 (212.1049)


   

4-(2-hydroxy-3,3-dimethoxypropyl)phenol

4-(2-hydroxy-3,3-dimethoxypropyl)phenol

C11H16O4 (212.1049)


   

(3s,8e,10e)-pentadeca-1,8,10,14-tetraen-4,6-diyn-3-ol

(3s,8e,10e)-pentadeca-1,8,10,14-tetraen-4,6-diyn-3-ol

C15H16O (212.1201)


   

4-[(1s,2s)-2-hydroxy-1-methoxypropyl]-2-methoxyphenol

4-[(1s,2s)-2-hydroxy-1-methoxypropyl]-2-methoxyphenol

C11H16O4 (212.1049)


   

4-(hydroxymethyl)-2-pentylfuran-3-carboxylic acid

4-(hydroxymethyl)-2-pentylfuran-3-carboxylic acid

C11H16O4 (212.1049)


   

4-hydroxy-6-[(2r,3r)-3-hydroxybutan-2-yl]-3,5-dimethylpyran-2-one

4-hydroxy-6-[(2r,3r)-3-hydroxybutan-2-yl]-3,5-dimethylpyran-2-one

C11H16O4 (212.1049)


   

(8r)-3,5,8-trimethyl-8h,9h-azuleno[6,5-b]furan

(8r)-3,5,8-trimethyl-8h,9h-azuleno[6,5-b]furan

C15H16O (212.1201)


   

2,3-dimethoxy-5-propylbenzene-1,4-diol

2,3-dimethoxy-5-propylbenzene-1,4-diol

C11H16O4 (212.1049)


   

5-(hydroxymethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol

5-(hydroxymethyl)-3-methoxy-4-(methoxymethyl)-2-methylphenol

C11H16O4 (212.1049)


   

6,7-dihydroxy-3,7-dimethyl-3,4,5,6-tetrahydro-1h-2-benzopyran-8-one

6,7-dihydroxy-3,7-dimethyl-3,4,5,6-tetrahydro-1h-2-benzopyran-8-one

C11H16O4 (212.1049)


   

4-isopropyl-6-methylnaphthalene-1-carbaldehyde

4-isopropyl-6-methylnaphthalene-1-carbaldehyde

C15H16O (212.1201)


   

1,5,8-trimethyl-4h,5h-naphtho[2,1-b]furan

1,5,8-trimethyl-4h,5h-naphtho[2,1-b]furan

C15H16O (212.1201)


   

4-methoxy-5-(2-oxohexyl)-5h-furan-2-one

4-methoxy-5-(2-oxohexyl)-5h-furan-2-one

C11H16O4 (212.1049)


   

(5e)-5-[(2s,3s)-2,3-dihydroxybutylidene]-3-propylfuran-2-one

(5e)-5-[(2s,3s)-2,3-dihydroxybutylidene]-3-propylfuran-2-one

C11H16O4 (212.1049)


   

3,4,5-trimethyl-5h,6h-naphtho[2,3-b]furan

3,4,5-trimethyl-5h,6h-naphtho[2,3-b]furan

C15H16O (212.1201)


   

(3r,8ar)-1,8a-dihydroxy-3-isopropyl-3h,6h,7h,8h-pyrrolo[1,2-a]pyrazin-4-one

(3r,8ar)-1,8a-dihydroxy-3-isopropyl-3h,6h,7h,8h-pyrrolo[1,2-a]pyrazin-4-one

C10H16N2O3 (212.1161)


   

6-(5-hydroxypentyl)-4-methoxypyran-2-one

6-(5-hydroxypentyl)-4-methoxypyran-2-one

C11H16O4 (212.1049)


   

(3e,5z,7e)-3-methyl-8-phenylocta-3,5,7-trien-2-one

(3e,5z,7e)-3-methyl-8-phenylocta-3,5,7-trien-2-one

C15H16O (212.1201)


   

pentadeca-5,7-dien-9,11,13-triyn-1-ol

pentadeca-5,7-dien-9,11,13-triyn-1-ol

C15H16O (212.1201)


   

5-(3-hydroxybutyl)-4-methoxy-6-methylpyran-2-one

5-(3-hydroxybutyl)-4-methoxy-6-methylpyran-2-one

C11H16O4 (212.1049)


   

(2r,4r,6s)-6-hydroxy-4-methoxy-2-methyl-2,3,4,6,7,8-hexahydro-1-benzopyran-5-one

(2r,4r,6s)-6-hydroxy-4-methoxy-2-methyl-2,3,4,6,7,8-hexahydro-1-benzopyran-5-one

C11H16O4 (212.1049)


   

(5s)-1,5,8-trimethyl-4h,5h-naphtho[2,1-b]furan

(5s)-1,5,8-trimethyl-4h,5h-naphtho[2,1-b]furan

C15H16O (212.1201)


   

2-[(2e)-1,5-dihydroxypent-2-en-2-yl]-3-(hydroxymethyl)cyclopent-2-en-1-one

2-[(2e)-1,5-dihydroxypent-2-en-2-yl]-3-(hydroxymethyl)cyclopent-2-en-1-one

C11H16O4 (212.1049)


   

(1r,2r)-1-(4-hydroxy-3-methoxyphenyl)butane-1,2-diol

(1r,2r)-1-(4-hydroxy-3-methoxyphenyl)butane-1,2-diol

C11H16O4 (212.1049)


   

(5e)-5-[(2s,3r)-2,3-dihydroxybutylidene]-3-propylfuran-2-one

(5e)-5-[(2s,3r)-2,3-dihydroxybutylidene]-3-propylfuran-2-one

C11H16O4 (212.1049)


   

5-[(1s)-1-hydroxybutyl]-4-methoxy-6-methylpyran-2-one

5-[(1s)-1-hydroxybutyl]-4-methoxy-6-methylpyran-2-one

C11H16O4 (212.1049)


   

1-(3-{2-[3-(1-hydroxyethyl)oxiran-2-yl]ethenyl}oxiran-2-yl)prop-2-en-1-ol

1-(3-{2-[3-(1-hydroxyethyl)oxiran-2-yl]ethenyl}oxiran-2-yl)prop-2-en-1-ol

C11H16O4 (212.1049)


   

(5s)-3,4,5-trimethyl-5h,6h-naphtho[2,3-b]furan

(5s)-3,4,5-trimethyl-5h,6h-naphtho[2,3-b]furan

C15H16O (212.1201)


   

(1r,2s)-1-(4-hydroxy-3-methoxyphenyl)butane-1,2-diol

(1r,2s)-1-(4-hydroxy-3-methoxyphenyl)butane-1,2-diol

C11H16O4 (212.1049)


   

2-(2,3-dihydroxy-3-methylbutyl)benzene-1,4-diol

2-(2,3-dihydroxy-3-methylbutyl)benzene-1,4-diol

C11H16O4 (212.1049)


   

4-[(2r)-2-hydroxy-3,3-dimethoxypropyl]phenol

4-[(2r)-2-hydroxy-3,3-dimethoxypropyl]phenol

C11H16O4 (212.1049)


   

pentadeca-5,7,13-trien-9,11-diyn-4-one

pentadeca-5,7,13-trien-9,11-diyn-4-one

C15H16O (212.1201)


   

butyl 2-(4-oxo-5,6-dihydropyran-3-yl)acetate

butyl 2-(4-oxo-5,6-dihydropyran-3-yl)acetate

C11H16O4 (212.1049)


   

(5e,7z,13e)-pentadeca-5,7,13-trien-9,11-diyn-4-one

(5e,7z,13e)-pentadeca-5,7,13-trien-9,11-diyn-4-one

C15H16O (212.1201)


   

4-[5-(1-hydroxypropyl)-2-oxooxolan-3-yl]but-2-enal

4-[5-(1-hydroxypropyl)-2-oxooxolan-3-yl]but-2-enal

C11H16O4 (212.1049)


   

5-(1-hydroxybutyl)-4-methoxy-6-methylpyran-2-one

5-(1-hydroxybutyl)-4-methoxy-6-methylpyran-2-one

C11H16O4 (212.1049)


   

4-(1,2-dihydroxybutyl)-3-(prop-1-en-1-yl)-5h-furan-2-one

4-(1,2-dihydroxybutyl)-3-(prop-1-en-1-yl)-5h-furan-2-one

C11H16O4 (212.1049)


   

5-butyl-6-(hydroxymethyl)-4-methoxypyran-2-one

5-butyl-6-(hydroxymethyl)-4-methoxypyran-2-one

C11H16O4 (212.1049)


   

methyl 6-hydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate

methyl 6-hydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate

C11H16O4 (212.1049)


   

4-[(1r,2s)-1,2-dihydroxybutyl]-3-(prop-1-en-1-yl)-5h-furan-2-one

4-[(1r,2s)-1,2-dihydroxybutyl]-3-(prop-1-en-1-yl)-5h-furan-2-one

C11H16O4 (212.1049)


   

3-ethyl-4-hydroxy-6-[(2s,3r)-3-hydroxybutan-2-yl]pyran-2-one

3-ethyl-4-hydroxy-6-[(2s,3r)-3-hydroxybutan-2-yl]pyran-2-one

C11H16O4 (212.1049)


   

pentadeca-5,7,13-trien-9,11-diynal

pentadeca-5,7,13-trien-9,11-diynal

C15H16O (212.1201)


   

methyl (4ar,6r,7r,7ar)-6-hydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate

methyl (4ar,6r,7r,7ar)-6-hydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylate

C11H16O4 (212.1049)