Exact Mass: 258.1705

CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1038

Diisobutyl adipate

5-((4-(4-(Diethylamino)butyl)-1-piperidinyl)acetyl)-10,11-dihydrobenzo(b,e)(1,4)diazepine-11-one

Diisobutyl adipate is a food additive [Goodscents]. Food additive [Goodscents]

Cicutoxin

8,10,12-Heptadecatriene-4,6-diyne-1,14-diol,(8E,10E,12E,14R)-

Enanthotoxin

Oenanthotoxin

cyclo(dehydrophenylalanyl-L-leucyl)

Cyclo[(Z)-alpha,beta-didehydrophenylalanyl-L-leucyl]; (3Z,6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-2,5-dione

13-Apo-beta-carotenone

(beta)-Apo-13-carotenone

D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids

Tetradecanedioic acid

Dodecamethylenedicarboxylic acid

Tetradecanedioic acid, also known as 1,14-tetradecanedioate or NSC 9504, belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Tetradecanedioic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Tetradecanedioic acid is a C14 dicarboxylic acid. [HMDB] Tetradecanedioic acid is an endogenous metabolite and belongs to the class of organic compounds known as long-chain fatty acids. Tetradecanedioic acid can act as a candidate biomarker for organic anion-transporting polypeptide mediated agent-agent interactions [1].

Ginsenoyne E

8-(3-Heptyloxiranyl)-1-octene-4,6-diyn-3-one, 9ci

Ginsenoyne E is found in tea. Ginsenoyne E is isolated from Panax quinquefolium (American ginseng) and Panax ginseng (ginseng). Isolated from Panax quinquefolium (American ginseng) and Panax ginseng (ginseng). Ginsenoyne E is found in tea.

Linalyl benzoate

4-Hexen-1-ol, 1,5-dimethyl-1-vinyl-, benzoate

Linalyl benzoate is found in herbs and spices. Linalyl benzoate is found in ylang-ylang and tuberose essential oils and mushrooms. Linalyl benzoate is used in perfumery and food flavourin Found in ylang-ylang and tuberose essential oils and mushrooms. It is used in perfumery and food flavouring.

Falcarinolone

(9Z)-8-hydroxyheptadeca-1,9-dien-4,6-diyn-3-one

Isolated from carrot (Daucus carota) and caraway seed (Carum carvi). Falcarinolone is found in many foods, some of which are root vegetables, caraway, fats and oils, and herbs and spices. Falcarinolone is found in caraway. Falcarinolone is isolated from carrot (Daucus carota) and caraway seed (Carum carvi).

Ginsenoyne A

8-[3-(hept-6-en-1-yl)oxiran-2-yl]oct-1-en-4,6-diyn-3-ol

Ginsenoyne A is found in tea. Ginsenoyne A is isolated from ginseng. Isolated from ginseng. Ginsenoyne A is found in tea.

Flavidulol B

7-Ethenyl-5,6,7,8-tetrahydro-4-methoxy-7-methyl-6-(1-methylethenyl)-1-naphthalenol, 9ci

Flavidulol B is found in mushrooms. Flavidulol B is isolated from the edible but bitter tasting Japanese kihatsudake mushroom (Lactarius flavidulus). Isolated from the edible but bitter tasting Japanese kihatsudake mushroom (Lactarius flavidulus). Flavidulol B is found in mushrooms.

Flavidulol A

5,8,9,12-tetrahydro-4-Methoxy-7,11-dimethyl-1-benzocyclodecenol, 9ci

Flavidulol A is found in mushrooms. Flavidulol A is isolated from the edible but bitter tasting Japanese kihatsudake mushroom (Lactarius flavidulus). Isolated from the edible but bitter tasting Japanese kihatsudake mushroom (Lactarius flavidulus). Flavidulol A is found in mushrooms.

(all-E)-1,8,10-Heptadecatriene-4,6-diyne-3,12-diol

(8E,10E)-heptadeca-1,8,10-trien-4,6-diyne-3,12-diol

(all-E)-1,8,10-Heptadecatriene-4,6-diyne-3,12-diol is found in tea. (all-E)-1,8,10-Heptadecatriene-4,6-diyne-3,12-diol is a constituent of ginseng. Constituent of ginseng. (all-E)-1,8,10-Heptadecatriene-4,6-diyne-3,12-diol is found in tea.

Geranyl benzoate

(2Z)-3,7-Dimethylocta-2,6-dien-1-yl benzoic acid

Geranyl benzoate is a flavouring ingredient. Flavouring ingredient

Diethyl decanedioate

Decanedioic acid, 1,10-diethyl ester

Diethyl decanedioate is a flavouring ingredient. Flavouring ingredient

2-Hydroxypropyl 2-isopropyl-5-methylcyclohexyl carbonate

1-[({[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)oxy]propan-2-ol

2-Hydroxypropyl 2-isopropyl-5-methylcyclohexyl carbonate belongs to the family of Monocyclic Monoterpenes. These are monoterpenes containing 1 ring in the isoprene chain

1-Hydroxypropan-2-yl 2-isopropyl-5-methylcyclohexyl carbonate

2-[({[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}carbonyl)oxy]propan-1-ol

1-Hydroxypropan-2-yl 2-isopropyl-5-methylcyclohexyl carbonate belongs to the family of Monocyclic Monoterpenes. These are monoterpenes containing 1 ring in the isoprene chain.

2-Acetyl-3,5,5,6,8,8-hexamethyl-5,6,7,8- tetrahydronaphthalene

1-(3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one

2-Acetyl-3,5,5,6,8,8-hexamethyl-5,6,7,8- tetrahydronaphthalene belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane. Flavouring compound [Superscent]

Galaxolide

1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8-hexamethyl-cyclopenta-gamma-2-benzopyran

2-Naphthylaminomethyl-gamma-aminobutyric acid

4-({[(naphthalen-2-yl)amino]methyl}amino)butanoic acid

Leucylleucine methyl ester

2-Amino-N-(1-methoxy-4-methyl-1-oxopentan-2-yl)-4-methylpentanimidate

D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents

Leu-leu-ome

2-Amino-N-(1-methoxy-1-oxohexan-2-yl)hexanimidate

5-Methyl-4-((1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-1,3-benzenediol

Propoxate

Propyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylic acid

Versalide

1-(3-ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one

Flavouring compound [Superscent]

8-Hydroxyfalcarinone

(9E)-8-hydroxyheptadeca-1,9-dien-4,6-diyn-3-one

8-hydroxyfalcarinone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 8-hydroxyfalcarinone can be found in wild celery, which makes 8-hydroxyfalcarinone a potential biomarker for the consumption of this food product.

Acetyl dehydrorishitinol

2-(5,8-Dimethyl-1,4-dihydronaphthalen-2-yl)propan-2-yl acetic acid

Acetyl dehydrorishitinol is a member of the class of compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. Acetyl dehydrorishitinol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Acetyl dehydrorishitinol can be found in potato, which makes acetyl dehydrorishitinol a potential biomarker for the consumption of this food product.

1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol benzoate

1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol benzoic acid

Flavouring compound [Flavornet]

Phomallenic acid B

(-)-Phomallenic acid B

Oenanthotoxin

(2E,8E,10E,14R)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol

Dehydrobaptifoline

Galaxolide

4,6,6,7,8,8-Hexamethyl-1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene

CONFIDENCE standard compound; INTERNAL_ID 2449

2,7-dimethyl-2-(4-methyl-3-penten-1-yl)-2H-1-benzopyran-5-ol

6E,8E,12E,14E-Hexadecatetraen-10-insaeuremethylester|Me ester-(all-E)-6,8,12,14-Hexadecatetraen-10-ynoic acid

(3S, 8S)-16,17-dehydrofalcarindiol|1,9(Z),16-heptadecatriene-4,6-diyne-3,8-diol|cis-1,9,16-heptadecatriene-4,6-diyne-3,8-diol|cis-16,17-didehydro-falcarindiol|cis-dehydrofalcarindiol|Dehydrofalcarindiol|Heptadeca-1,9(Z),16-trien-4,6-diyn-3,8-diol|heptadeca-1,9c,16-triene-4,6-diyne-3,8-diol

cis-8,9-Epoxy-heptadeca-1,15-dien-11,13-diin-10-ol

lorneic acid A

6R-Hydroxy-(4R,6R)-Tetrahydro-4-hydroxy-6-nonyl-2H-pyran-2-one

11-hydroxy lycodine

Saikodiyne C

2,6-Diamino-2,3,4,6-tetradeoxy-erythro-hexose,9CI,8CI-Me glycoside, 2,6-di-N-Ac,6-N-Me

Valinotricin

(+/-)-lycoposerramine R|(4aS,6R,7aS,12bS)-1,2,3,4,4a,5,6,7,7a,8-decahydro-6-methylpyrido[2,3:4,5]-cyclopenta[1,2-c]-quinolin-10(9H)-one|lycoposerramine-R

C17H22O2

(all-E)-octadeca-2,9,11,13,15-pentaenal|pseudogynoxal

dehydrocostus lactone

(-)-lyconadin B|lyconadin B|lyconadine B

Bakuchiol

nigerazine B

An enamide obtained by formal condensation of the carboxy group of trans-cinnamic acid with the secondary amino group of (2S,5R)-1,2,5-trimethylpiperazine.

Debromlaurinterolacetat|debromolaurinterol acetate

8beta-Acetoxy-Furodysinin

(Z)-15-Hydroxy-9,16-heptadecadiene-11,13-diyn-8-one

5,17-didehydro-matridin-15-one|Darvasin

DTXSID40972853

15-hydroxy-heptadeca-8c,16-diene-11,13-diyn-7-one|Heptadeca-1,8c-dien-4,6-diin-3-ol-10-on

Debromoisolaurinterol|debromoisolaurinterol acetate

(E,E)-17-Hydroxy-7,9-heptadecadiene-11,13-diyn-6-one

(E,E)-17-Hydroxy-7,9-heptadecadiene-11,13-diyn-4-one|17-hydroxy-heptadeca-7t,9t-diene-11,13-diyn-4-one

SCHEMBL17866875

ATRACTYLOCHROMENE

(2E)-2-(3,7-dimethylocta-2,6-dienyl)-6-methyl-2,5-cyclohexadiene-1,4-dione|1,4-Quinone-(E)-2-(3,7-Dimethyl-2,6-octadienyl)-6-methyl-1,4-benzenediol

dimethyl 2-(6-hydroxyhexyl)-3-methylenesuccinic acid

C15H18N2O2

(4S)-4,10,11-trihydroxy-10-methyldodec-2-en-1,4-olide

De-N-methyl-beta-obscurine|des-N-methyl-beta-obscurine|huperzine B|N-demethyl-beta-obscurine

(3S,6S)-1,4-dihydroxy-3,6-bis<(1R)-1-methylpropyl>piperazine-2,5-dione (terramide A)|(3S,6S)-1,4-dihydroxy-3,6-bis[(1R)-1-methylpropyl]piperazine-2,5-dione (terramide A)|terramide A

(2S,3R,5S)-(-)-2,3-dihydroxytetradecan-5-olide|(3S,4R,6S)-3,4-dihydroxy-6-nonyltetrahydro-2H-pyran-2-one|2,3-dihydroxy-5-nonyltetrahydro-2H-pyranone|2,3-dihydroxytetradecan-5-olide

Methylmadugin

SCHEMBL22622534

C18H26O

4-hydroxy-3,5,5-trimethyl-4-(1,2,3-trihydroxybutyl)cyclohex-2-enone|angelicol A

Versalide

casuarinine G

casuarinine J

Usabamycin B

(9Z,11Z)-heptadeca-1,9,11-triene-4,6-diyne-3,8-diol

goniomicin D

coibacin B

SCHEMBL15691777

(E,E)-10-Hydroxy-2,8-heptadecadiene-4,6-diyn-1-al

(9R,10S)-epoxy-16-heptadecene-4,6-diyne-3-one

5-(Z,Z,Z)-undeca-2,5,8-trienyl-benzene-1,3-diol

Dimethyl dodecanedioate

2-chloro-2-pentadecenal

C15H27ClO (258.175)

octadeca-9c,16t-diene-12,14-diyn-1-ol|Octadeca-9c-16t-dien-12,14-diin-1-ol|Octadecadien-(9cis.16trans)-diin-(12.14)-ol

2,6-Diamino-2,3,4,6-tetradeoxy-erythro-hexose,9CI,8CI-Et glycoside, 2,6-di-N-Ac

rumphellatin A

C14H23ClO2 (258.1386)

C13H22O5

DTXSID40702718

trans-7,9-dihydroxy-3-methyl-8-oxo-dodecan-4-olide

(Z)-1-Hydroxy-9,16-heptadecadiene-4,6-diyn-3-one

sermentoic acid methyl ester

SCHEMBL11452420

Villiramulin B

dendroarboreol B

acetyldehydrorishitinol

(-)-lyconadin C|lyconadin C

dimethyl 2-(5-hydroxyhexyl)-3-methylenesuccinic acid

4-(Hydroxymethyl)-3-(1-hydroxy-7-methyloctyl)oxolan-2-one

3,5-Diprenyl-4-hydroxybenzaldehyde

3-hydroxy-heptadeca-1,9c-diene-4,6-diyn-8-one

(-)-sequosempervirin A|(4R)-4-(4-hydroxybenzyl)spiro[4,5]dec-1-en-8-ol|(4R,5r,8R)-4-(4-hydroxybenzyl)spiro[4.5]dec-1-en-8-ol|sequosempervirin A

O 1602

Ile Leu

Leu Ile

methyl 11-hydroxy-10-methyl-4-oxododecanoate

NCGC00380331-01!methyl 11-hydroxy-10-methyl-4-oxododecanoate

TETRADECANEDIOIC ACID

Dodecanedicarboxylic acid

An alpha,omega-dicarboxylic acid that is tetradecane in which the methyl groups have been oxidised to the corresponding carboxylic acids. Tetradecanedioic acid is an endogenous metabolite and belongs to the class of organic compounds known as long-chain fatty acids. Tetradecanedioic acid can act as a candidate biomarker for organic anion-transporting polypeptide mediated agent-agent interactions [1].

methyl 11-hydroxy-10-methyl-4-oxododecanoate [IIN-based: Match]

NCGC00380331-01!methyl 11-hydroxy-10-methyl-4-oxododecanoate [IIN-based: Match]

methyl 11-hydroxy-10-methyl-4-oxododecanoate [IIN-based on: CCMSLIB00000848759]

NCGC00380331-01!methyl 11-hydroxy-10-methyl-4-oxododecanoate [IIN-based on: CCMSLIB00000848759]

Tonalid

6-Acetyl-1,1,2,4,4,7-hexamethyltetralin

D003358 - Cosmetics CONFIDENCE standard compound; INTERNAL_ID 679; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10718; ORIGINAL_PRECURSOR_SCAN_NO 10713 CONFIDENCE standard compound; INTERNAL_ID 679; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10768; ORIGINAL_PRECURSOR_SCAN_NO 10767 CONFIDENCE standard compound; INTERNAL_ID 679; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10782; ORIGINAL_PRECURSOR_SCAN_NO 10781 CONFIDENCE standard compound; INTERNAL_ID 679; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10822; ORIGINAL_PRECURSOR_SCAN_NO 10818 CONFIDENCE standard compound; INTERNAL_ID 679; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10833; ORIGINAL_PRECURSOR_SCAN_NO 10831 CONFIDENCE standard compound; INTERNAL_ID 679; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10840; ORIGINAL_PRECURSOR_SCAN_NO 10839

(E)-2-methyl-4-((3aS)-1-methyl-2,3,8,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl)but-2-en-1-ol

1,9Z,16-heptadecatrien-4,6-diyn-3,8-diol

heptadeca-1,9Z,16-trien-4,6-diyn-3,8-diol

O-1602

5-methyl-4-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-1,3-benzenediol

O-1821

5-methyl-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-1,3-benzenediol

5,8,11-heptadecatriynoic acid

2-methyl-tridecanedioic acid

3-methyl-tridecanedioic acid

4-methyl-tridecanedioic acid

Linalyl benzoate

4-Hexen-1-ol, 1,5-dimethyl-1-vinyl-, benzoate

Geranyl benzoate

(2Z)-3,7-dimethylocta-2,6-dien-1-yl benzoate

A benzoate ester resulting from the formal condensation of the carboxy group of benzoic acid with the hydroxy group of geraniol.

Falcarinolone

(9Z)-8-hydroxyheptadeca-1,9-dien-4,6-diyn-3-one

Ginsenoyne E

8-(3-Heptyloxiranyl)-1-octene-4,6-diyn-3-one, 9ci

Ginsenoyne A

8-[3-(hept-6-en-1-yl)oxiran-2-yl]oct-1-en-4,6-diyn-3-ol

Flavidulol B

7-Ethenyl-5,6,7,8-tetrahydro-4-methoxy-7-methyl-6-(1-methylethenyl)-1-naphthalenol, 9ci

Flavidulol A

5,8,9,12-tetrahydro-4-Methoxy-7,11-dimethyl-1-benzocyclodecenol, 9ci

(all-E)-1,8,10-Heptadecatriene-4,6-diyne-3,12-diol

(8E,10E)-heptadeca-1,8,10-trien-4,6-diyne-3,12-diol

Bisoflex des

Decanedioic acid, 1,10-diethyl ester

FA 17:6

(10R,8Z,9Z)-heptadeca-8,9-dien-11,13-diynoic acid

FA 14:1;O2

4-methyl-tridecanedioic acid

Tetradecanedioic acid is an endogenous metabolite and belongs to the class of organic compounds known as long-chain fatty acids. Tetradecanedioic acid can act as a candidate biomarker for organic anion-transporting polypeptide mediated agent-agent interactions [1].

FOH 17:7;O

heptadeca-1,9Z,16-trien-4,6-diyn-3,8-diol

Isocicutoxin

(8E,10E,12E,14R)-heptadeca-8,10,12-trien-4,6-diyne-1,14-diol

1,6Z,9Z,12Z,15Z-octadecapenten-3-one

2-METHYL-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-BENZO[D]IMIDAZOLE

3-ETHYL-3-METHYL-1-(PIPERIDIN-4-YL)INDOLIN-2-ONE

2,2-Bis(3-amino-4-hydroxylphenyl)propane

1,12-Dodecanedioyl dihydrazide

C12H26N4O2 (258.2056)

1-(1H-Indol-3-ylmethyl)piperidine-4-carboxylic acid

(2,4-Dimethoxy-benzyl)-pyridin-3-ylmethyl-amine

1-Boc-4-(2-methoxyethylamino)piperidine

8-Benzyl-2,8-diazaspiro[4.5]decane-1,3-dione

Lorbamate

Carbamic acid,N-cyclopropyl-, 2-[[(aminocarbonyl)oxy]methyl]-2-methylpentyl ester

C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic

3-benzyl-1,3-diazaspiro[4.5]decane-2,4-dione

1-(4-Trifluoromethyl-benzyl)-piperidin-4-ylamine

C13H17F3N2 (258.1344)

tert-butyl 2-ethyl-2,5-dimethylhexaneperoxoate

ethyl 2,5-dimethyl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate

(S)-1-Boc-2-[(Methoxycarbonyl)methyll]piperazine

Xibornol

4,5-dimethyl-2-[(1R,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]phenol

C254 - Anti-Infective Agent > C258 - Antibiotic

trans-2-(4-Ethylphenyl)vinylboronic acid pinacol ester

C16H23BO2 (258.1791)

5-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

Methyl 4-amino-1-Boc-piperidine-4-carboxylate

TERT-BUTYL 3-((2-METHOXYETHYL)AMINO)PIPERIDINE-1-CARBOXYLATE

2-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole

2-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2H-INDAZOLE

3-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

Hexanoic acid,1,1-(1,2-ethanediyl) ester

tert-butyl 6-cyano-3,4-dihydroisoquinoline-2(1H)-carboxylate

METHYL 1-CYCLOHEXYL-1H-BENZO[D]IMIDAZOLE-5-CARBOXYLATE

Methyl 1-cyclohexyl-1H-benzo[d]imidazole-6-carboxylate

2-[(4-methylpiperazin-1-yl)methyl]-1H-quinazolin-4-one

C14H18N4O (258.1481)

3-AMINO-3-(4-DIMETHYLAMINO-NAPHTHALEN-1-YL)-PROPIONIC ACID

3-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

2-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrrolo[2,3-b]pyridine

1-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDAZOLE

DI-TERT-BUTYL 1,3-ACETONEDICARBOXYLATE

6-OCTYL-3,4-DIHYDRONAPHTHALEN-2(1H)-ONE

METHYL 3-METHOXY-2-NITROBENZOATE

1-BOC-3-[(2-METHOXY-ETHYLAMINO)-METHYL]-PYRROLIDINE

2,5-DIMETHYL-1,1:4,1-TERPHENYL

ESTRENONE

(2S, 4R)-Boc-4-amino Pyrrolidine-2-carboxylate acid ethylester-HCl

Euscaphin B

Zolertine Hydrochloride

C13H18N6 (258.1593)

Amino(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-piperidinyl)acetic acid

(R)-1-tert-Butyl 2-ethyl piperazine-1,2-dicarboxylate

1-Boc-4-methylpiperidine-4-carboxylic acid methyl ester

C13H24NO4 (258.1705)

ETHYL 1-(4-CYANOPHENYL)-4-PIPERIDINECARBOXYLATE

Diethyl ethyl(1-methylbutyl)malonate

Diethyl ethyl(3-methylbutyl)malonate

3-[(ETHOXYCARBONYL)OXYCARBONYL]-2,5-DIHYDRO-2,2,5,5-TETRAMETHYL-1H-PYRROL-1-YLOXY

C12H20NO5 (258.1341)

(3,4-Dimethoxybenzyl)pyridin-4-ylmethylamine

1,10-DIACETOXYDECANE

Benzene,1,1,1-(1-ethanyl-2-ylidene)tris-

4-PYRIDYLACETICACIDHYDROCHLORIDE

(R)-3-METHOXYCARBONYLMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

(4aS-cis)-4,4a,5,6,7,8-Hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-2(3H)-naphthalenone

3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione,2,2-dimethylpropane-1,3-diol

Rutaecarpine

C12H26N4O2 (258.2056)

4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzaldehyde

C15H19BO3 (258.1427)

(R)-1-Boc-2-[Methoxy(Methyl)carbamoyl]pyrrolidine

Ethyl 1-phenyl-5-propyl-1H-pyrazole-4-carboxylate

VALPROATE PIVOXIL

2,6-dicyclohexylphenol

1-BOC-4-ETHOXYCARBONYL PIPERAZINE

2-methyl-7-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole

3-formyll-trans-beta-styrylboronic acid pinacol ester

C15H19BO3 (258.1427)

Traseolide

4,4-(1,3-Propanediyl)dioxydianiline

1-Decyl-3-methylimidazolium chloride

1-decyl-3-methylimidazol-3-ium,chloride

C14H27ClN2 (258.1863)

Monoethyl Dodecanedioate

2-(4-([(TERT-BUTOXY)CARBONYL]AMINO)PIPERIDIN-1-YL)ACETIC ACID

1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

2-methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole

1-Tert-Butyl 3-Ethyl Piperazine-1,3-Dicarboxylate

7-BENZYL-1,4-DIOXA-7-AZASPIRO[4.5]DECANE-8-CARBONITRILE

7-BENZYL-2,7-DIAZASPIRO[4.5]DECANE-1,3-DIONE

4-Cyclohexyl-3-methyl-4-oxo-3-phenylbutanal

2-CYCLOPENTYL-5-METHOXY-6,7-DIMETHYL-2,3-DIHYDRO-1H-INDEN-1-ONE

1-METHYL-4-(4-(TRIFLUOROMETHYL)BENZYL)PIPERAZINE

C13H17F3N2 (258.1344)

Butanedioic acid,2,3-bis(1-methylethyl)-,1,4-diethylester

(S)-3-METHOXYCARBONYLMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Pentalene, 1,3a,4,6a-tetrahydro-3,6-diphenyl-, (3aR,6aR)

2-methylamino-5-mercapto-1,3,4-thiadiazole

3,3-DIETHOXY-1-PROPYLBORONIC ACID PINACOL ESTER

C13H27BO4 (258.2002)

2-decylbutanedioic acid

3-(3-METHOXYPROPYLAMINO)PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

2-Benzyl-2,8-diazaspiro[4.5]decane-1,3-dione

4-(2,3-dihydrospiro[indene-1,2-pyrrolidine]-6-yl)Morpholine

Zolertine

C13H18N6 (258.1593)

2-(3,4-epoxycyclohexyl)ethylmethyldiethosysilane

C13H26O3Si (258.1651)

(R)-1-BOC-4-(AMINOCARBOXYMETHYL)PIPERIDINE

(3R,4S)-REL-1-TERT-BUTYL 3-ETHYL 4-AMINOPYRROLIDINE-1,3-DICARBOXYLATE

4-MethoxycarbonylMethyl-piperazine-1-carboxylic acid tert-butyl ester

TERT-BUTYL (1-(2-HYDROXYPROPYL)PIPERIDIN-4-YL)CARBAMATE

1-Boc-3(R )-(methoxycarbonylmethyl-amino)pyrrolidine

(2S,4S)-1-tert-butyl 2-Methyl 4-(aminomethyl)pyrrolidine-1,2-dicarboxylate

(2S,4R)-1-tert-butyl 2-Methyl 4-(aminomethyl)pyrrolidine-1,2-dicarboxylate

(E)-5-(2-BROMOVINYL)URACIL

C13H26O3Si (258.1651)

3-(1-tert-butoxycarbonylpiperazin-4-yl)propionic acid

1-Butylpyrene

TERT-BUTYL 2-(2-METHOXY-2-OXOETHYL)PIPERAZINE-1-CARBOXYLATE

SORT-PGRN interaction inhibitor 1

2-cyclopentyl-1-(4-methoxy-2,3-dimethylphenyl)prop-2-en-1-one

(3AS,4R,6R,7AS)-TETRAHYDRO-4-HYDROXYMETHYL-6-METHOXY-4H-FURO[3,2-C]PYRAN-2(3H)-ONE

(2Z,8E,10E)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol

tert-butyl N-[1-amino-3-(oxan-3-yl)propan-2-yl]carbamate

2-((TERT-BUTOXYCARBONYL)AMINO)-2-(PIPERIDIN-4-YL)ACETIC ACID

1H-1-Benzazepine-1-carboxamide,N-cyclopentyl-2,3,4,5-tetrahydro-(9CI)

trans-4-Boc-amino-piperidine-3-carboxylic acid Methyl ester

2-AMINO-2-(1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL)ACETIC ACID

(S,S)-(+)-1-PHENYLCYCLOHEXANE-CIS-1,2-DIOL

C12H30B2P2 (258.2009)

1-propan-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

9(10)-Dehydronandrolone

Triamterene D5

C12H6D5N7 (258.139)

Dipentyl succinate

Diisopentyl succinate

(+)-1,2-bis((2r,5r)-2,5-dimethylphospholano)ethane

C14H28P2 (258.1666)

1,8-DIPHENYL-1,3,5,7-OCTATETRAENE

Methyl 4-Boc-piperazine-2-acetate

Poly(propylene glycol) 4-nonylphenyl ether acrylate

N-[(1S)-4-Cyano-2,3-dihydro-1H-inden-1-yl]carbamic acid 1,1-dimethylethyl ester

tert-Butyl (4R-cis)-6-formaldehydel-2,2-dimethyl-1,3-dioxane-4-acetate

10-(tert-Butoxy)-10-oxodecanoic acid

menthol 1-and 2-propylene glycol carbonate

(S)-tert-butyl (4-cyano-2,3-dihydro-1H-inden-1-yl)carbamate

Methyl cis-1-Boc-4-aMinopiperidine-3-carboxylate

DIPHENHYDRAMINE-D3

C17H18D3NO (258.1811)

Heptandioic acid, 4-acetyl-, 1,7-diethyl ester

1-methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

Ethane, 1,1,1-triphenyl-

6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2,3-DIHYDROINDEN-1-ONE

C15H19BO3 (258.1427)

3-(1-BENZYL-3,5-DIMETHYL-1 H-PYRAZOL-4-YL)-PROPIONIC ACID

1-(1-Benzylpiperidin-4-yl)pyrrolidin-2-one

(3aS,6aS)-3,6-diphenyl-1,3a,4,6a-tetrahydropentalene

9-Benzyl-3,9-Diazaspiro[5.5]Undecan-2-One

1-BOC-BETA-OXO-3-PIPERIDINEPROPANOIC ACID METHYL ESTER

METHYL 4-((TERT-BUTOXYCARBONYL)AMINO)PIPERIDINE-4-CARBOXYLATE

diethyl 2-heptylpropanedioate

1,2-Bis-(1H-inden-3-yl)-ethane

Ethanone,1-[4-(trans-4-butylcyclohexyl)phenyl]-

2-(1-tert-Butoxycarbonylpiperazin-4-yl)propionic acid

n-(tert-butoxycarbonyl)-l-proline n-methoxy-n-methylamide

(2,3-DIMETHOXY-BENZYL)-PYRIDIN-3-YLMETHYL-AMINE

Propoxate

propyl 3-(1-phenylethyl)imidazole-4-carboxylate

C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic

(-)-1,2-bis-((2S,5S)-2,5-Dimethylphospholano)ethane

C14H28P2 (258.1666)

buta-1,3-diene, methyl 2-methylprop-2-enoate, styrene

2-(4-AMINO-1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL)ACETIC ACID

Carbonic acid, 2-hydroxypropyl (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester

Menthol propylene glycol carbonate

Carbonic acid, 2-hydroxypropyl 5-methyl-2-(1-methylethyl)cyclohexyl ester

Flavouring agent with cooling taste for chewing gum and candies

Isobornyl benzoate

Leucylleucine methyl ester

D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents

tert-Butyl 2-(methoxy(methyl)carbamoyl)pyrrolidine-1-carboxylate

(2E)-3-phenyl-1-[(2R,5S)-2,4,5-trimethylpiperazin-1-yl]prop-2-en-1-one

2,7-Dimethyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-5-ol

8-Ethyl-1,3,4,6,7,8-hexahydro-4,6,6,8-tetramethylcyclopenta[G]-2-benzopyran

Methacrylic 10-mercapto-1-decanyl ester

C14H26O2S (258.1653)

4-[(1s,2r,5s)-4,4,8-Trimethyl-3-Oxabicyclo[3.3.1]non-7-En-2-Yl]phenol

Diethyl sebacate

Acetyl dehydrorishitinol

(3R,4R)-4-(hydroxymethyl)-3-[(1R)-1-hydroxy-6-methyloctyl]oxolan-2-one

Apo-13-lycopenone

9-cis-beta-Apo-13-carotenone

(2S)-4-hydroxy-2-(3-oxooctanoylamino)butanoate

C12H20NO5- (258.1341)

(3Z)-3-benzylidene-6-(2-methylpropyl)piperazine-2,5-dione

1,4-Dihydroxy-3,6-bis(2-methylpropyl)pyrazine-1,4-diium-2,5-diol

C12H22N2O4+2 (258.1579)

(5R)-6-(2-amino-1-carbamoyl-4,5-dihydroimidazol-4-yl)-5-hydroxyhexanoic acid

C10H18N4O4 (258.1328)

[3-carboxy-2-[(E)-hex-4-enoyl]oxypropyl]-trimethylazanium

8-Hydroxyfalcarinone

[3-carboxy-2-[(E)-hex-2-enoyl]oxypropyl]-trimethylazanium

[3-carboxy-2-[(E)-hex-3-enoyl]oxypropyl]-trimethylazanium

[(E)-2-(carboxymethyl)-2-hydroxy-3-oxooct-4-enyl]-trimethylazanium

1-(1H-benzimidazol-2-yl)-3-cyclohexylurea

C14H18N4O (258.1481)

N-[4-(diethylamino)phenyl]furan-2-carboxamide

4-tert-butylbenzaldehyde (4-amino-4H-1,2,4-triazol-3-yl)hydrazone

C13H18N6 (258.1593)

4-(1-methyl-3-indolyl)-N-propan-2-ylbutanamide

(1,4,8,11-Tetraazacyclotetradecane)nickel(2+)

C10H24N4Ni+2 (258.1354)

(4-Methoxyphenyl)-(3-methyl-2-propyl-4-imidazolyl)methanone

(2E)-3-phenyl-1-[(2R,5R)-2,4,5-trimethylpiperazin-1-yl]prop-2-en-1-one

(S,S)-traseolide

5-methyl-2-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3-diol

1-[5-Amino-3-(2-methylphenyl)-1,2,4-triazol-1-yl]-2,2-dimethylpropan-1-one

C14H18N4O (258.1481)

Methyl 11-hydroxy-10-methyl-4-oxododecanoate

Undecanoic acid, trimethylsilyl ester

C14H30O2Si (258.2015)

Alanylproline, TMS derivative

C11H22N2O3Si (258.14)

4-(Hydroxyimino)-2,2,6,6-tetramethyl-1-piperidinol, TMS derivative

C12H26N2O2Si (258.1763)

3-Methyl-3-(1-ethyl-1,3,3-trimethylindan-5-yl)propanal

2-(4-Methylphenyl)-4,4-dimethyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,5H)-dione

Ethyl (4R,5R)-(E)-5-hydroxy-4-(2-tetrahydropyranyl)oxy-2-hexenoate

Ethyl (4R*,5R*)-(E)-5-hydroxy-4-(2-tetrahydropyranyl)oxy-2-hexenoate

Xibornolum

4,5-dimethyl-2-[(1R,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]phenol

DIISOBUTYL ADIPATE

DIBUTYL ADIPATE

Carbonic acid, 2-hydroxypropyl 5-methyl-2-(1-methylethyl)cyclohexyl ester

1-Hydroxypropan-2-yl 2-isopropyl-5-methylcyclohexyl carbonate

nigerazine A

An enamide obtained by formal condensation of the carboxy group of trans-cinnamic acid with the secondary amino group of (2R,5R)-1,2,5-trimethylpiperazine.

Methyltridecanedioic acid

NA-Arg 6:0

C11H22N4O3 (258.1692)

NA-Asn 8:0

NA-Gln 7:0

NA-Lys 7:0

NA-Orn 8:0

NA-Tryptamine 6:0

FAHFA 4:0/3O-10:0

FAHFA 5:0/3O-9:0

FAHFA 6:0/3O-8:0

FAHFA 8:0/3O-6:0

apo-beta-Carotenone

ST 18:2;O

11-methyl-6,14-diazatetracyclo[7.6.2.0²,⁷.0¹³,¹⁷]heptadeca-2,4,6-trien-5-ol

(1z)-2-[(2s,3s)-3-hydroxy-1-methoxybutan-2-yl]-1-[(1z)-oct-1-en-1-yl]diazen-1-ium-1-olate

(1s,4as,10ar)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid

(2e,8s,9z)-heptadeca-2,9,16-trien-4,6-diyne-1,8-diol

(3e)-2-methyl-4-{3-[2-(methylamino)ethyl]-1h-indol-4-yl}but-3-en-2-ol

7,8-dihydroxy-4-methoxy-10-propyl-3,4,7,8,9,10-hexahydrooxecin-2-one

3,4-dihydroxy-6-nonyloxan-2-one

5-hydroxy-6-[1-(c-hydroxycarbonimidoyl)-2-iminoimidazolidin-4-yl]hexanoic acid

C10H18N4O4 (258.1328)

4-hydroxy-3,5-bis(3-methylbut-2-en-1-yl)benzaldehyde

(13e)-1-amino-13-(2-hydroxyethylidene)-11-methyl-6-azatricyclo[7.3.1.0²,⁷]trideca-2,4,6,10-tetraen-5-ol

heptadeca-8,9-dien-11,13-diynoic acid

(2z)-2-chloropentadec-2-enal

C15H27ClO (258.175)

(2z,9z)-pentadeca-2,9-dien-4,6-diyn-1-yl acetate

methyl hexadeca-6,8,12,14-tetraen-10-ynoate

(8e,10e,14s)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol

2,10,11-trihydroxy-6,6-dimethyl-7-methylideneundecan-3-one

4-[(1e,3s)-3-ethenyl-3,7-dimethyloct-1-en-1-yl]phenol

(1r,9s,10r,11r,16r)-16-methyl-6,14-diazatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6-trien-11-ol

(3r,4r)-3-[(1r)-1-hydroxy-6-methyloctyl]-4-(hydroxymethyl)oxolan-2-one

1-(3-methyloxiran-2-yl)tetradeca-6,13-dien-1,3-diyn-5-ol

3r,8r-dehydrofalcarindiol

{"Ingredient_id": "HBIN009568","Ingredient_name": "3r,8r-dehydrofalcarindiol","Alias": "NA","Ingredient_formula": "C17H22O2","Ingredient_Smile": "C=CCCCCCC=CC(C#CC#CC(C=C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4912","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

6β-hydroxyhuperzine a

{"Ingredient_id": "HBIN012276","Ingredient_name": "6\u03b2-hydroxyhuperzine a","Alias": "NA","Ingredient_formula": "C15H18N2O2","Ingredient_Smile": "CC=C1C2C=C(CC1(C3=C(C2O)NC(=O)C=C3)N)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10169","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

6-hydroxy-2,8-dimethyl-2-(4-methyl-3-pentenyl)-2h-1-benzopyran