Exact Mass: 230.1114

Exact Mass Matches: 230.1114

Found 265 metabolites which its exact mass value is equals to given mass value 230.1114, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid

(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid

C13H14N2O2 (230.1055)


(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid is found in alcoholic beverages. (1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid is widespread in many foodstuffs especially fruit juices, jams and fermented foods or beverages including beer and soy sauce. Also present in the toxic fly agaric mushroom (Amanita muscaria). (1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid is formed by Pictet-Spengler condensation between acetaldehyde and L-tryptophan in nature or during food processing. Widespread in many foodstuffs especially fruit juices, jams and fermented foods or beverages including beer and soy sauceand is) also present in the toxic fly agaric mushroom (Amanita muscaria). Formed by Pictet-Spengler condensation between acetaldehyde and L-tryptophan in nature or during food processing. (1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid is found in many foods, some of which are alcoholic beverages, herbs and spices, fruits, and mushrooms.

   

Dicyclohexyl disulfide

(Cyclohexyldisulphanyl)cyclohexane

C12H22S2 (230.1163)


Dicyclohexyl disulfide is a flavouring ingredient. Flavouring ingredient

   

cyclic Melatonin

1-{5-methoxy-1H,2H,3H,8H-pyrrolo[2,3-b]indol-1-yl}ethan-1-one

C13H14N2O2 (230.1055)


cyclic Melatonin is a metabolite of melatonin. Melatonin Listen/ˌmɛləˈtoʊnɪn/, also known chemically as N-acetyl-5-methoxytryptamine, is a naturally occurring compound found in animals, plants, and microbes. In animals, circulating levels of the hormone melatonin vary in a daily cycle, thereby allowing the entrainment of the circadian rhythms of several biological functions. (Wikipedia)

   

M-Terphenyl

3-phenyl-1,1-biphenyl

C18H14 (230.1095)


   

1-[3-(Trifluoromethyl)phenyl]piperazine

N-(alpha,alpha,alpha-Trifluoro-3-tolyl)piperazine

C11H13F3N2 (230.1031)


D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists

   

Metomidate

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

C13H14N2O2 (230.1055)


   

O-Terphenyl

2-phenyl-1,1-biphenyl

C18H14 (230.1095)


   

p-Terphenyl

3-Hydroxynortropane-8-spiro-1-pyrrolidinium

C18H14 (230.1095)


   

1-Phenyl-4-(trifluoromethyl)piperazine

1-Phenyl-4-(trifluoromethyl)piperazine

C11H13F3N2 (230.1031)


   

Piscrocin E

Piscrocin E

C11H18O5 (230.1154)


   

Caiophoraenin

Caiophoraenin

C11H18O5 (230.1154)


   
   
   

2-(6-Hydroxyhexyl)-3-methylenesuccinic acid

2-(6-Hydroxyhexyl)-3-methylenesuccinic acid

C11H18O5 (230.1154)


   

Maybridge3_007067

Maybridge3_007067

C13H14N2O2 (230.1055)


   
   
   

LL-P880beta

LL-P880beta

C11H18O5 (230.1154)


   

(1R,4S,4aS,7S,7aS)-7-hydroxyl-4-hydroxymethyl-7-methyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta[e]-pyran-3-one

(1R,4S,4aS,7S,7aS)-7-hydroxyl-4-hydroxymethyl-7-methyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta[e]-pyran-3-one

C11H18O5 (230.1154)


   
   

NCGC00381162-01

NCGC00381162-01

C11H18O5 (230.1154)


   

(2beta,4beta)-2-ethyl-5-hydroxy-5-(methoxycarbonyl)-4,5-dimethylpentano-4-lactone|rel-(2R,4R)-4-ethyltetrahydro-alpha-hydroxy-alpha,2-dimethyl-5-oxofuran-2-acetic acid methyl ester

(2beta,4beta)-2-ethyl-5-hydroxy-5-(methoxycarbonyl)-4,5-dimethylpentano-4-lactone|rel-(2R,4R)-4-ethyltetrahydro-alpha-hydroxy-alpha,2-dimethyl-5-oxofuran-2-acetic acid methyl ester

C11H18O5 (230.1154)


   

MEGxm0_000043

MEGxm0_000043

C11H18O5 (230.1154)


   

shikimic acid n-butyl ester

shikimic acid n-butyl ester

C11H18O5 (230.1154)


   
   

4alpha-(3-methyl-4-formyloxy-hexyl)-3alpha-methyl-2-oxetanone

4alpha-(3-methyl-4-formyloxy-hexyl)-3alpha-methyl-2-oxetanone

C11H18O5 (230.1154)


   

cimicifugolide B

cimicifugolide B

C11H18O5 (230.1154)


   

1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid

1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid

C13H14N2O2 (230.1055)


   

3,4-Dihydro-2,3-trimethylenequinazoline-4-acetic acid

3,4-Dihydro-2,3-trimethylenequinazoline-4-acetic acid

C13H14N2O2 (230.1055)


   

(+/-)-1,2,3,9-tetrahydro-5-methoxypyrrolo<2,1-b>quinazoline-3-ol|(+/-)-1,2,3,9-tetrahydro-5-methoxypyrrolo[2,1-b]quinazoline-3-ol

(+/-)-1,2,3,9-tetrahydro-5-methoxypyrrolo<2,1-b>quinazoline-3-ol|(+/-)-1,2,3,9-tetrahydro-5-methoxypyrrolo[2,1-b]quinazoline-3-ol

C13H14N2O2 (230.1055)


   

(2S,3S,6S,8R,11S)-3,11-dihydroxy-2,8-dimethyl-1,7-dioxaspiro[5,5]undecan-4-one|(2S,3S,6S,8R,11S)-3,11-dihydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one|dinemasone A

(2S,3S,6S,8R,11S)-3,11-dihydroxy-2,8-dimethyl-1,7-dioxaspiro[5,5]undecan-4-one|(2S,3S,6S,8R,11S)-3,11-dihydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one|dinemasone A

C11H18O5 (230.1154)


   
   
   

3,5-dihydroxy-2-methoxy-8-methylnon-6-ene 1,4-lactone

3,5-dihydroxy-2-methoxy-8-methylnon-6-ene 1,4-lactone

C11H18O5 (230.1154)


   

N-(3-Trifluoromethylphenyl)piperazine

N- (3-TRIFLUOROMETHYLPHENYL)PIPERAZINE (TFMPP)

C11H13F3N2 (230.1031)


D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists CONFIDENCE standard compound; EAWAG_UCHEM_ID 2819

   

2-(1,2-dihydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one

NCGC00169946-02!2-(1,2-dihydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one

C11H18O5 (230.1154)


   

(2S)-2-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one

NCGC00179744-02!(2S)-2-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one

C11H18O5 (230.1154)


   

2-(6-hydroxyhexyl)-3-methylidenebutanedioic acid

NCGC00169834-02!2-(6-hydroxyhexyl)-3-methylidenebutanedioic acid

C11H18O5 (230.1154)


   

C11H18O5_(4S,5S,10R)-4-Hydroxy-5-methoxy-10-methyl-2,7-oxecanedione

NCGC00381162-01_C11H18O5_(4S,5S,10R)-4-Hydroxy-5-methoxy-10-methyl-2,7-oxecanedione

C11H18O5 (230.1154)


   

(2S)-2-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one

(2S)-2-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one

C11H18O5 (230.1154)


   

2-(6-hydroxyhexyl)-3-methylidenebutanedioic acid

2-(6-hydroxyhexyl)-3-methylidenebutanedioic acid

C11H18O5 (230.1154)


   

(2S)-2-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000847200]

NCGC00179744-02!(2S)-2-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000847200]

C11H18O5 (230.1154)


   

2-(1,2-dihydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000845022]

NCGC00169946-02!2-(1,2-dihydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000845022]

C11H18O5 (230.1154)


   

2-(1,2-dihydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one [IIN-based: Match]

NCGC00169946-02!2-(1,2-dihydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one [IIN-based: Match]

C11H18O5 (230.1154)


   

(2S)-2-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based: Match]

NCGC00179744-02!(2S)-2-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based: Match]

C11H18O5 (230.1154)


   

(2S)-2-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000847202]

NCGC00179744-02!(2S)-2-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000847202]

C11H18O5 (230.1154)


   

2-(6-hydroxyhexyl)-3-methylidenebutanedioic acid_major

2-(6-hydroxyhexyl)-3-methylidenebutanedioic acid_major

C11H18O5 (230.1154)


   

(2S)-2-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one_major

(2S)-2-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one_major

C11H18O5 (230.1154)


   

1,7-Dihydroxytacrine

1,7-Dihydroxytacrine

C13H14N2O2 (230.1055)


   

2,4-Dihydroxytacrine

2,4-Dihydroxytacrine

C13H14N2O2 (230.1055)


   

1,4-Dihydroxytacrine

1,4-Dihydroxytacrine

C13H14N2O2 (230.1055)


   

1,2-Dihydroxytacrine

1,2-Dihydroxytacrine

C13H14N2O2 (230.1055)


   

1-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid

C13H14N2O2 (230.1055)


   

pyromellitic diimide

Cyclohexyl disulfide (6ci,7ci,8ci)

C12H22S2 (230.1163)


   

Hydroxypestalotin

(6S)-6-[(1S,2R)-1,2-Dihydroxypentyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one

C11H18O5 (230.1154)


   

ethyl4-amino-2-methylquinoline-6-carboxylate

ethyl4-amino-2-methylquinoline-6-carboxylate

C13H14N2O2 (230.1055)


   

3-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

3-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

C10H18N2O2S (230.1089)


   

3-(4-MORPHOLIN-4-YL-PHENYL)-3-OXO-PROPIONITRILE

3-(4-MORPHOLIN-4-YL-PHENYL)-3-OXO-PROPIONITRILE

C13H14N2O2 (230.1055)


   

6,6-Diphenylfulvene

6,6-Diphenylfulvene

C18H14 (230.1095)


   

tert-butyl n-(4-isothiocyanatobutyl)carbamate

tert-butyl n-(4-isothiocyanatobutyl)carbamate

C10H18N2O2S (230.1089)


   

1-Ethylpyrene

1-Ethylpyrene

C18H14 (230.1095)


   

2,7-Dimethylpyrene

2,7-Dimethylpyrene

C18H14 (230.1095)


   

4-(3,5-DIMETHYL-PYRAZOL-1-YLMETHYL)-BENZOIC ACID

4-(3,5-DIMETHYL-PYRAZOL-1-YLMETHYL)-BENZOIC ACID

C13H14N2O2 (230.1055)


   

(S)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

(S)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

C10H18N2O2S (230.1089)


   

3-(4-METHOXYPHENYL)-4,5,6,7-TETRAHYDROISOXAZOLO[4,5-C]PYRIDINE

3-(4-METHOXYPHENYL)-4,5,6,7-TETRAHYDROISOXAZOLO[4,5-C]PYRIDINE

C13H14N2O2 (230.1055)


   

HTR composite

HTR composite

C11H18O5 (230.1154)


   

Ethyl 2-Carbethoxy-5-ketohexanoate

Ethyl 2-Carbethoxy-5-ketohexanoate

C11H18O5 (230.1154)


   
   

4-acetyl-1,5-dimethyl-2-phenylpyrazol-3-one

4-acetyl-1,5-dimethyl-2-phenylpyrazol-3-one

C13H14N2O2 (230.1055)


   

(R)-1-Cbz-2-cyanopyrrolidine

(R)-1-Cbz-2-cyanopyrrolidine

C13H14N2O2 (230.1055)


   

1,2:3,4-DI-O-ISOPROPYLIDENE-BETA-D-ARABINOPYRANOSE

1,2:3,4-DI-O-ISOPROPYLIDENE-BETA-D-ARABINOPYRANOSE

C11H18O5 (230.1154)


   

3-(5-PIPERIDIN-4-YL-1,2,4-OXADIAZOL-3-YL)PYRIDINE

3-(5-PIPERIDIN-4-YL-1,2,4-OXADIAZOL-3-YL)PYRIDINE

C12H14N4O (230.1168)


   

2,4-Diamino-5-(3-methoxybenzyl)pyrimidine

2,4-Diamino-5-(3-methoxybenzyl)pyrimidine

C12H14N4O (230.1168)


   

5-(4-METHOXYBENZYL)-2,4-PYRIMIDINEDIAMINE

5-(4-METHOXYBENZYL)-2,4-PYRIMIDINEDIAMINE

C12H14N4O (230.1168)


   

2-(4-TRIFLUOROMETHYLPHENYL)PIPERAZINE

2-(4-TRIFLUOROMETHYLPHENYL)PIPERAZINE

C11H13F3N2 (230.1031)


   

2-Hydroxy-3-(3-Methyl-2-Butenyl)-4H-Pyrido[1,2-alpha]Pyrimidin-4-One

2-Hydroxy-3-(3-Methyl-2-Butenyl)-4H-Pyrido[1,2-alpha]Pyrimidin-4-One

C13H14N2O2 (230.1055)


   

2-(3,5-DIMETHYL-1-PHENYL-1H-PYRAZOL-4-YL)ACETIC ACID

2-(3,5-DIMETHYL-1-PHENYL-1H-PYRAZOL-4-YL)ACETIC ACID

C13H14N2O2 (230.1055)


   

(R)-1-N-Cbz-3-cyanopyrrolidine

(R)-1-N-Cbz-3-cyanopyrrolidine

C13H14N2O2 (230.1055)


   

methyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-4-carboxylate

methyl 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-4-carboxylate

C13H14N2O2 (230.1055)


   
   

5-METHYL-2-PHENYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER

5-METHYL-2-PHENYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER

C13H14N2O2 (230.1055)


   

2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one

2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one

C11H19ClN2O (230.1186)


   

5-Isopropyl-1-phenyl-1H-pyrazole-4-carboxylic acid

5-Isopropyl-1-phenyl-1H-pyrazole-4-carboxylic acid

C13H14N2O2 (230.1055)


   

ethyl 2-amino-5-phenyl-1H-pyrrole-3-carboxylate

ethyl 2-amino-5-phenyl-1H-pyrrole-3-carboxylate

C13H14N2O2 (230.1055)


   

ETHYL 5-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLATE

ETHYL 5-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLATE

C13H14N2O2 (230.1055)


   

1-styrylnaphthalene

1-styrylnaphthalene

C18H14 (230.1095)


   

N-(TRIMETHOXYSILYLPROPYL)IMIDAZOLE

N-(TRIMETHOXYSILYLPROPYL)IMIDAZOLE

C9H18N2O3Si (230.1087)


   

metomidate

metomidate

C13H14N2O2 (230.1055)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic

   

3-Hydroxycyclopentane-1,1-dicarboxylic acid diethyl ester

3-Hydroxycyclopentane-1,1-dicarboxylic acid diethyl ester

C11H18O5 (230.1154)


   

Benzaldehyde, 3-ethoxy-4-(4-methyl-1H-imidazol-1-yl)

Benzaldehyde, 3-ethoxy-4-(4-methyl-1H-imidazol-1-yl)

C13H14N2O2 (230.1055)


   

Benzaldehyde, 4-(4-ethyl-1H-imidazol-1-yl)-3-methoxy

Benzaldehyde, 4-(4-ethyl-1H-imidazol-1-yl)-3-methoxy

C13H14N2O2 (230.1055)


   

1H-Imidazole-1-carboxylicacid,(3,4-dimethylphenyl)methylester(9CI)

1H-Imidazole-1-carboxylicacid,(3,4-dimethylphenyl)methylester(9CI)

C13H14N2O2 (230.1055)


   

1,2-BIS(TRIMETHYLSILYLOXY)CYCLOBUTENE

1,2-BIS(TRIMETHYLSILYLOXY)CYCLOBUTENE

C10H22O2Si2 (230.1158)


   

1,2:3,5-DI-O-ISOPROPYLIDENE-α-D-APIOSE

1,2:3,5-DI-O-ISOPROPYLIDENE-α-D-APIOSE

C11H18O5 (230.1154)


   

1-(3,4-DIMETHYLPHENYL)-3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-4-CARBALDEHYDE

1-(3,4-DIMETHYLPHENYL)-3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-4-CARBALDEHYDE

C13H14N2O2 (230.1055)


   

2-(PIPERIDIN-4-YL)-5-(PYRIDIN-4-YL)-1,3,4-OXADIAZOLE

2-(PIPERIDIN-4-YL)-5-(PYRIDIN-4-YL)-1,3,4-OXADIAZOLE

C12H14N4O (230.1168)


   

2,2-METHYLENEBIS 4-AMINOPHENOL

2,2-METHYLENEBIS 4-AMINOPHENOL

C13H14N2O2 (230.1055)


   

2-Methyl-1H-cyclopenta[l]phenanthrene

2-Methyl-1H-cyclopenta[l]phenanthrene

C18H14 (230.1095)


   

p-Terphenyl

1,2,3,4-Tetrahydro-6-propanoylpyridine

C18H14 (230.1095)


Formed by thermal treatment of proline and glucose mixtures

   

trimethyl(1-trimethylsilyloxybuta-1,3-dienoxy)silane

trimethyl(1-trimethylsilyloxybuta-1,3-dienoxy)silane

C10H22O2Si2 (230.1158)


   

Diethyl 4-oxoheptanedioate

Diethyl 4-oxoheptanedioate

C11H18O5 (230.1154)


   

2-Benzyltetrahydropyrrolo[3,4-c]pyrrole-1,3-dione

2-Benzyltetrahydropyrrolo[3,4-c]pyrrole-1,3-dione

C13H14N2O2 (230.1055)


   

1-(2-Cyanophenyl)piperidine-4-carboxylic Acid

1-(2-Cyanophenyl)piperidine-4-carboxylic Acid

C13H14N2O2 (230.1055)


   

2-n-Butyl-1,3-diaza-spiro[4,4]non-1-en-4-one hydrochloride

2-n-Butyl-1,3-diaza-spiro[4,4]non-1-en-4-one hydrochloride

C11H19ClN2O (230.1186)


   

2-(dimethylamino)-2-quinolin-3-ylacetic acid

2-(dimethylamino)-2-quinolin-3-ylacetic acid

C13H14N2O2 (230.1055)


   

1-(2-FLUORO[1,1-BIPHENYL]-4-YL)PROPAN-1-OL

1-(2-FLUORO[1,1-BIPHENYL]-4-YL)PROPAN-1-OL

C15H15FO (230.1107)


   

N-[4-(3-cyano-2-methylpropanoyl)phenyl]acetamide

N-[4-(3-cyano-2-methylpropanoyl)phenyl]acetamide

C13H14N2O2 (230.1055)


   

ethenol,ethenyl acetate,methyl 2-methylprop-2-enoate

ethenol,ethenyl acetate,methyl 2-methylprop-2-enoate

C11H18O5 (230.1154)


   

O-Terphenyl

ortho-terphenyl

C18H14 (230.1095)


   

3-Ethylfluoranthene

3-Ethylfluoranthene

C18H14 (230.1095)


   

2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-1-CARBOXYLIC ACID METHYL ESTER

2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-1-CARBOXYLIC ACID METHYL ESTER

C13H14N2O2 (230.1055)


   

4-(5-PIPERIDIN-4-YL-1,2,4-OXADIAZOL-3-YL)PYRIDINE

4-(5-PIPERIDIN-4-YL-1,2,4-OXADIAZOL-3-YL)PYRIDINE

C12H14N4O (230.1168)


   

5-BENZYL-TETRAHYDROPYRROLO[3,4-C]PYRROLE-1,3(2H,3AH)-DIONE

5-BENZYL-TETRAHYDROPYRROLO[3,4-C]PYRROLE-1,3(2H,3AH)-DIONE

C13H14N2O2 (230.1055)


   

2,3,4,9-TETRAHYDRO-1H-B-CARBOLINE-3-CARBOXYLICACIDMETHYLESTER

2,3,4,9-TETRAHYDRO-1H-B-CARBOLINE-3-CARBOXYLICACIDMETHYLESTER

C13H14N2O2 (230.1055)


   

3-Amino-N-(2-furylmethyl)-4-methylbenzamide

3-Amino-N-(2-furylmethyl)-4-methylbenzamide

C13H14N2O2 (230.1055)


   

3-(3-MORPHOLIN-4-YL-PHENYL)-3-OXO-PROPIONITRILE

3-(3-MORPHOLIN-4-YL-PHENYL)-3-OXO-PROPIONITRILE

C13H14N2O2 (230.1055)


   

1-CHLOROCARBONYL-4-PIPERIDINOPIPERIDINE

1-CHLOROCARBONYL-4-PIPERIDINOPIPERIDINE

C11H19ClN2O (230.1186)


   

6-(methoxymethyl)-2-(3-methylphenyl)pyrimidin-4-ol

6-(methoxymethyl)-2-(3-methylphenyl)pyrimidin-4-ol

C13H14N2O2 (230.1055)


   

1-CYANOMETHYLENE-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE

1-CYANOMETHYLENE-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE

C13H14N2O2 (230.1055)


   

Diethyl 2-(2-oxopropyl)succinate

Diethyl 2-(2-oxopropyl)succinate

C11H18O5 (230.1154)


   

2-CHLORO-6-TRIFLUOROMETHYLANILINE

2-CHLORO-6-TRIFLUOROMETHYLANILINE

C10H18N2O2S (230.1089)


   

3-methyl-5-phenyl-1h-pyrazole-4-carboxylic acid ethyl ester

3-methyl-5-phenyl-1h-pyrazole-4-carboxylic acid ethyl ester

C13H14N2O2 (230.1055)


   

Diethyl 3-oxoheptanedioate

Diethyl 3-oxoheptanedioate

C11H18O5 (230.1154)


   

2,2,2,2-Tetramethyldihydrospiro[1,3-dioxolane-4,6-furo[2,3-d][ 1,3]dioxole]

2,2,2,2-Tetramethyldihydrospiro[1,3-dioxolane-4,6-furo[2,3-d][ 1,3]dioxole]

C11H18O5 (230.1154)


   

CHEMBRDG-BB 5175085

CHEMBRDG-BB 5175085

C13H14N2O2 (230.1055)


   

N-(2-amino-4-trifluoromethylphenyl)pyrrolidine

N-(2-amino-4-trifluoromethylphenyl)pyrrolidine

C11H13F3N2 (230.1031)


   

5-cyclobutyl-5-phenylhydantoin

5-cyclobutyl-5-phenylhydantoin

C13H14N2O2 (230.1055)


   

1,2:3,5-Di-O-isopropylidene-alpha-D-xylofuranose

1,2:3,5-Di-O-isopropylidene-alpha-D-xylofuranose

C11H18O5 (230.1154)


   

3-(3,5-DIMETHYL-PYRAZOL-1-YLMETHYL)-BENZOIC ACID

3-(3,5-DIMETHYL-PYRAZOL-1-YLMETHYL)-BENZOIC ACID

C13H14N2O2 (230.1055)


   

diethyl 2-(2-methylpropanoyl)propanedioate

diethyl 2-(2-methylpropanoyl)propanedioate

C11H18O5 (230.1154)


   

6-(4-Methoxyphenyl)-2,5-dimethyl-4-pyrimidinol

6-(4-Methoxyphenyl)-2,5-dimethyl-4-pyrimidinol

C13H14N2O2 (230.1055)


   

6-(4-Ethoxyphenyl)-5-methyl-4-pyrimidinol

6-(4-Ethoxyphenyl)-5-methyl-4-pyrimidinol

C13H14N2O2 (230.1055)


   

4,5-Dimethylpyrene

4,5-Dimethylpyrene

C18H14 (230.1095)


   

1-phenyl-5-propyl-1H-pyrazole-4-carboxylic acid

1-phenyl-5-propyl-1H-pyrazole-4-carboxylic acid

C13H14N2O2 (230.1055)


   

5-Acetyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one

5-Acetyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one

C13H14N2O2 (230.1055)


   

(r)-2-thiocarbamoyl-pyrrolidine-1-carboxylic acid tert-butyl ester

(r)-2-thiocarbamoyl-pyrrolidine-1-carboxylic acid tert-butyl ester

C10H18N2O2S (230.1089)


   

Ethyl 1-Methyl-3-phenylpyrazole-5-carboxylate

Ethyl 1-Methyl-3-phenylpyrazole-5-carboxylate

C13H14N2O2 (230.1055)


   

4-Amino-N-(2-furylmethyl)-3-methylbenzamide

4-Amino-N-(2-furylmethyl)-3-methylbenzamide

C13H14N2O2 (230.1055)


   

1-Pyrrolidinecarboxylicacid, 2-cyano-, phenylmethyl ester, (2S)-

1-Pyrrolidinecarboxylicacid, 2-cyano-, phenylmethyl ester, (2S)-

C13H14N2O2 (230.1055)


   

TRIMETHYLSILYL 4-TRIMETHYLSILYLCROTONATE

TRIMETHYLSILYL 4-TRIMETHYLSILYLCROTONATE

C10H22O2Si2 (230.1158)


   

(4S)-2,2-Dimethyl-5β-[(4R)-2,2-dimethyl-1,3-dioxolane-4β-yl]-1,3-dioxolane-4α-carbaldehyde

(4S)-2,2-Dimethyl-5β-[(4R)-2,2-dimethyl-1,3-dioxolane-4β-yl]-1,3-dioxolane-4α-carbaldehyde

C11H18O5 (230.1154)


   

ethyl 5-methyl-1-phenylpyrazole-3-carboxylate

ethyl 5-methyl-1-phenylpyrazole-3-carboxylate

C13H14N2O2 (230.1055)


   

1-(PHENYL)-5-ISOPROPYL-1H-PYRAZOLE-3-CARBOXYLIC ACID

1-(PHENYL)-5-ISOPROPYL-1H-PYRAZOLE-3-CARBOXYLIC ACID

C13H14N2O2 (230.1055)


   

4-(3-imidazol-1-ylpropoxy)benzaldehyde

4-(3-imidazol-1-ylpropoxy)benzaldehyde

C13H14N2O2 (230.1055)


   

6-Amino-8-morpholino-1,7-naphthyridine

6-Amino-8-morpholino-1,7-naphthyridine

C12H14N4O (230.1168)


   

(2-Isopropoxynaphthalen-1-yl)boronic acid

(2-Isopropoxynaphthalen-1-yl)boronic acid

C13H15BO3 (230.1114)


   

diethyl 2-oxoheptane-1,7-dicarboxylate

diethyl 2-oxoheptane-1,7-dicarboxylate

C11H18O5 (230.1154)


   

1-Benzyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid

1-Benzyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid

C13H14N2O2 (230.1055)


   

2-amino-1-[5-amino-1-(phenylmethyl)-1h-imidazol-4-yl] ethanone

2-amino-1-[5-amino-1-(phenylmethyl)-1h-imidazol-4-yl] ethanone

C12H14N4O (230.1168)


   

TERT-BUTYL 4-CYANOBENZYLIDENECARBAMATE

TERT-BUTYL 4-CYANOBENZYLIDENECARBAMATE

C13H14N2O2 (230.1055)


   

1-(4-Trifluoromethylphenyl)piperazine

1-(4-Trifluoromethylphenyl)piperazine

C11H13F3N2 (230.1031)


   

3-hydroxy-6-pentoxybenzene-1,2-dicarbonitrile

3-hydroxy-6-pentoxybenzene-1,2-dicarbonitrile

C13H14N2O2 (230.1055)


   

1-N-CBZ-3-CYANO-PYRROLIDINE

1-N-CBZ-3-CYANO-PYRROLIDINE

C13H14N2O2 (230.1055)


   

Diethyl tetrahydropyran-4,4-dicarboxylate

Diethyl tetrahydropyran-4,4-dicarboxylate

C11H18O5 (230.1154)


   

terphenyl

terphenyl

C18H14 (230.1095)


   

1,2:3,4-BIS-O-(1-METHYLETHYLIDENE)-BETA-L-ARABINOPYRANOSE

1,2:3,4-BIS-O-(1-METHYLETHYLIDENE)-BETA-L-ARABINOPYRANOSE

C11H18O5 (230.1154)


   

Ethyl 8-hydroxy-1,4-dioxaspiro[4.5]decane-8-carboxylate

Ethyl 8-hydroxy-1,4-dioxaspiro[4.5]decane-8-carboxylate

C11H18O5 (230.1154)


   

5,5-METHYLENEBIS(2-AMINOPHENOL)

5,5-METHYLENEBIS(2-AMINOPHENOL)

C13H14N2O2 (230.1055)


   

9,10-divinyl anthracene

9,10-divinyl anthracene

C18H14 (230.1095)


   

2-[5-(4-Piperidinyl)-1,2,4-oxadiazol-3-yl]pyridine

2-[5-(4-Piperidinyl)-1,2,4-oxadiazol-3-yl]pyridine

C12H14N4O (230.1168)


   

3-morpholin-4-ylquinoxalin-2-amine

3-morpholin-4-ylquinoxalin-2-amine

C12H14N4O (230.1168)


   

ethyl 1-benzylpyrazole-4-carboxylate

ethyl 1-benzylpyrazole-4-carboxylate

C13H14N2O2 (230.1055)


   

3-PIPERIDINYL PHTHALIMIDE HYDROCHLORIDE

3-PIPERIDINYL PHTHALIMIDE HYDROCHLORIDE

C13H14N2O2 (230.1055)


   

ethyl 3-amino-5-phenyl-1H-pyrrole-2-carboxylate

ethyl 3-amino-5-phenyl-1H-pyrrole-2-carboxylate

C13H14N2O2 (230.1055)


   

2,5-DIMETHYL-1-(PYRIDIN-4-YLMETHYL)-1H-PYRROLE-3-CARBOXYLIC ACID

2,5-DIMETHYL-1-(PYRIDIN-4-YLMETHYL)-1H-PYRROLE-3-CARBOXYLIC ACID

C13H14N2O2 (230.1055)


   

N-(2,5-DIMETHYL-1H-PYRROL-1-YL)-4-HYDROXYBENZAMIDE

N-(2,5-DIMETHYL-1H-PYRROL-1-YL)-4-HYDROXYBENZAMIDE

C13H14N2O2 (230.1055)


   

(1S,3S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

(1S,3S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

C13H14N2O2 (230.1055)


   

Diethyl 2-isopropyl-3-oxosuccinate

Diethyl 2-isopropyl-3-oxosuccinate

C11H18O5 (230.1154)


   

Poly(Methyl vinyl ether-alt-Maleic acid Monobutyl ester) solution

Poly(Methyl vinyl ether-alt-Maleic acid Monobutyl ester) solution

C11H18O5 (230.1154)


   

Methyl-17H-cyclopenta[a]phenanthrene

Methyl-17H-cyclopenta[a]phenanthrene

C18H14 (230.1095)


   

N-TERT-BUTOXYCARBONYL-AZIDO-L-ALANINE

N-TERT-BUTOXYCARBONYL-AZIDO-L-ALANINE

C8H14N4O4 (230.1015)


   

(2R,4R,5R)-2-ALLYLOXYMETHYL-4-DIMETHOXYMETHYL-3,6-DIOXA-BICYCLO[3.1.0]HEXANE

(2R,4R,5R)-2-ALLYLOXYMETHYL-4-DIMETHOXYMETHYL-3,6-DIOXA-BICYCLO[3.1.0]HEXANE

C11H18O5 (230.1154)


   

L-SERINE BETA-NAPHTHYLAMIDE

L-SERINE BETA-NAPHTHYLAMIDE

C13H14N2O2 (230.1055)


   

cis-5-Benzyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione

cis-5-Benzyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione

C13H14N2O2 (230.1055)


   

trimethyl(3-trimethylsilyloxybuta-1,3-dien-2-yloxy)silane

trimethyl(3-trimethylsilyloxybuta-1,3-dien-2-yloxy)silane

C10H22O2Si2 (230.1158)


   

Diethyl butyrylmalonate

Diethyl butyrylmalonate

C11H18O5 (230.1154)


   

Naphthalene,1-(1-phenylethenyl)-

Naphthalene,1-(1-phenylethenyl)-

C18H14 (230.1095)


   

1H-Pyrido[3,4-b]indole-1-carboxylicacid, 2,3,4,9-tetrahydro-1-methyl-

1H-Pyrido[3,4-b]indole-1-carboxylicacid, 2,3,4,9-tetrahydro-1-methyl-

C13H14N2O2 (230.1055)


   

2-Fluoro-5-nitro-3-picoline

2-Fluoro-5-nitro-3-picoline

C13H14N2O2 (230.1055)


   

diethyl 2-propanoylbutanedioate

diethyl 2-propanoylbutanedioate

C11H18O5 (230.1154)


   

1-(2-Trifluoromethylphenyl)-piperazine

1-(2-Trifluoromethylphenyl)-piperazine

C11H13F3N2 (230.1031)


   

Ethyl 1-Methyl-5-phenylpyrazole-3-carboxylate

Ethyl 1-Methyl-5-phenylpyrazole-3-carboxylate

C13H14N2O2 (230.1055)


   

Pentanedioic acid,2-acetyl-, 1,5-diethyl ester

Pentanedioic acid,2-acetyl-, 1,5-diethyl ester

C11H18O5 (230.1154)


   

1,3-bis(4-pyridine 1-oxide)propane

1,3-bis(4-pyridine 1-oxide)propane

C13H14N2O2 (230.1055)


   

2-[(dimethylamino)methylene]-3-(4-methoxyphenyl)-3-oxo-propanenitrile

2-[(dimethylamino)methylene]-3-(4-methoxyphenyl)-3-oxo-propanenitrile

C13H14N2O2 (230.1055)


   

2-naphthalen-2-yloxypropanehydrazide

2-naphthalen-2-yloxypropanehydrazide

C13H14N2O2 (230.1055)


   

diethyl 2-(1-ethoxyethylidene)propanedioate

diethyl 2-(1-ethoxyethylidene)propanedioate

C11H18O5 (230.1154)


   

ethyl 1-benzylimidazole-2-carboxylate

ethyl 1-benzylimidazole-2-carboxylate

C13H14N2O2 (230.1055)


   

Tirasemtiv

Tirasemtiv

C12H14N4O (230.1168)


C78272 - Agent Affecting Nervous System

   

LL P880 beta

6-(1,2-Dihydroxypentyl)-4-methoxy-5,6-dihydropyran-2-one

C11H18O5 (230.1154)


   

ethyl (E)-2-cyano-4-(1-methylpyridin-4-ylidene)but-2-enoate

ethyl (E)-2-cyano-4-(1-methylpyridin-4-ylidene)but-2-enoate

C13H14N2O2 (230.1055)


   

6-Chloro-3,7-dimethyl-2,7-octadienyl acetate

6-Chloro-3,7-dimethyl-2,7-octadienyl acetate

C12H19ClO2 (230.1074)


   

2-(p-tolyl)tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione

2-(p-tolyl)tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione

C13H14N2O2 (230.1055)


   

4-Hydroxy-5-methoxy-10-methyloxecane-2,7-dione

4-Hydroxy-5-methoxy-10-methyloxecane-2,7-dione

C11H18O5 (230.1154)


   

2-[4-(4-Hydroxyphenoxy)phenyl]ethylazanium

2-[4-(4-Hydroxyphenoxy)phenyl]ethylazanium

C14H16NO2+ (230.1181)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

   

N-(3-oxohexanoyl)homoserine

N-(3-oxohexanoyl)homoserine

C10H16NO5- (230.1028)


   

N-(2-cyano-1-cyclopentenyl)-1-ethyl-3-pyrazolecarboxamide

N-(2-cyano-1-cyclopentenyl)-1-ethyl-3-pyrazolecarboxamide

C12H14N4O (230.1168)


   

2-Methyl-5-(1-pyrrolidinyl)isoindole-1,3-dione

2-Methyl-5-(1-pyrrolidinyl)isoindole-1,3-dione

C13H14N2O2 (230.1055)


   

(3E)-3-hydroxyimino-1-quinolin-2-ylbutan-1-ol

(3E)-3-hydroxyimino-1-quinolin-2-ylbutan-1-ol

C13H14N2O2 (230.1055)


   

1,2-Dimethyl-8-nitro-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline

1,2-Dimethyl-8-nitro-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline

C13H14N2O2 (230.1055)


   

1-(Trimethylsiloxy)-1,2-dihydro-1,2-methanonaphthalene

1-(Trimethylsiloxy)-1,2-dihydro-1,2-methanonaphthalene

C14H18OSi (230.1127)


   

Dicyclohexyl Disulfide

Dicyclohexyl Disulfide

C12H22S2 (230.1163)


   

Tetrahydroharman-3-carboxylic acid

1H-Pyrido[3,4-b]indole-3-carboxylicacid, 2,3,4,9-tetrahydro-1-methyl-

C13H14N2O2 (230.1055)


   

cyclic Melatonin

cyclic Melatonin

C13H14N2O2 (230.1055)


   

6-(1,2-Dihydroxypentyl)-4-methoxy-5,6-dihydropyran-2-one

6-(1,2-Dihydroxypentyl)-4-methoxy-5,6-dihydropyran-2-one

C11H18O5 (230.1154)


   

1-(3-Trifluoromethylphenyl)piperazine

1-(3-Trifluoromethylphenyl)piperazine

C11H13F3N2 (230.1031)


   
   

Methyldopa (hydrate)

Methyldopa (hydrate)

C10H16NO5.5 (230.1028)


Methyldopa hydrate (L-(-)-α-Methyldopa hydrate), a potent antihyoertensive agent, is an alpha-adrenergic agonist (selective for α2-adrenergic receptors). Methyldopa hydrate is a proagent and is metabolized (α-Methylepinephrine) in the central nervous system[1][2].

   

(2r)-2-[(5s)-5-hydroxyhexyl]-3-methylidenebutanedioic acid

(2r)-2-[(5s)-5-hydroxyhexyl]-3-methylidenebutanedioic acid

C11H18O5 (230.1154)


   

(1s,4r,5s,7s,7as)-5-hydroxy-7-(hydroxymethyl)-1-methoxy-4-methyl-hexahydro-1h-cyclopenta[c]pyran-3-one

(1s,4r,5s,7s,7as)-5-hydroxy-7-(hydroxymethyl)-1-methoxy-4-methyl-hexahydro-1h-cyclopenta[c]pyran-3-one

C11H18O5 (230.1154)


   

3-methoxy-3-(5-methoxy-4,5-dimethyloxolan-3-yl)prop-2-enoic acid

3-methoxy-3-(5-methoxy-4,5-dimethyloxolan-3-yl)prop-2-enoic acid

C11H18O5 (230.1154)


   

(1r,3s)-1-methyl-1h,2h,3h,4h,9h-pyrido[3,4-b]indole-3-carboxylic acid

(1r,3s)-1-methyl-1h,2h,3h,4h,9h-pyrido[3,4-b]indole-3-carboxylic acid

C13H14N2O2 (230.1055)


   

(4s,5s,10r)-4-hydroxy-5-methoxy-10-methyloxecane-2,7-dione

(4s,5s,10r)-4-hydroxy-5-methoxy-10-methyloxecane-2,7-dione

C11H18O5 (230.1154)


   

(3s,8as)-1-hydroxy-3-phenyl-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one

(3s,8as)-1-hydroxy-3-phenyl-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one

C13H14N2O2 (230.1055)


   

1-methyl-1, 2, 3, 4-tetrahydro-β-carboline-3-carboxylic acid

NA

C13H14N2O2 (230.1055)


{"Ingredient_id": "HBIN002718","Ingredient_name": "1-methyl-1, 2, 3, 4-tetrahydro-\u03b2-carboline-3-carboxylic acid","Alias": "NA","Ingredient_formula": "C13H14N2O2","Ingredient_Smile": "CC1C2=C(CC(N1)C(=O)O)C3=CC=CC=C3N2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40645","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(1r,4r,4 as,7s,7 as)-7-hydroxyl-4-hydroxy-methyl-7-methyl-1-methoxyl-1,4,4a,7a-tetrahy drocyclopenta[e]-pyran-3-one

NA

C11H18O5 (230.1154)


{"Ingredient_id": "HBIN003124","Ingredient_name": "(1r,4r,4 as,7s,7 as)-7-hydroxyl-4-hydroxy-methyl-7-methyl-1-methoxyl-1,4,4a,7a-tetrahy drocyclopenta[e]-pyran-3-one","Alias": "NA","Ingredient_formula": "C11H18O5","Ingredient_Smile": "CC1(CCC2C1C(OC(=O)C2CO)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10320","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(1r,4s,4 as,7s,7 as)-7-hydroxyl-4-hydroxy-methyl-7-methyl-1-methoxyl-1,4,4a,7a-tetrahy drocyclopenta[ e]-pyran-3-one

NA

C11H18O5 (230.1154)


{"Ingredient_id": "HBIN003136","Ingredient_name": "(1r,4s,4 as,7s,7 as)-7-hydroxyl-4-hydroxy-methyl-7-methyl-1-methoxyl-1,4,4a,7a-tetrahy drocyclopenta[ e]-pyran-3-one","Alias": "NA","Ingredient_formula": "C11H18O5","Ingredient_Smile": "CC1(CCC2C1C(OC(=O)C2CO)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10321","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(1s,4r,4 as,7s,7 as)-7-hydroxyl-4-hydroxy-methyl-7-methyl-1-methoxyl-1,4,4a,7a-tetrahy drocyclopenta[ e]-pyran-3-one

NA

C11H18O5 (230.1154)


{"Ingredient_id": "HBIN003280","Ingredient_name": "(1s,4r,4 as,7s,7 as)-7-hydroxyl-4-hydroxy-methyl-7-methyl-1-methoxyl-1,4,4a,7a-tetrahy drocyclopenta[ e]-pyran-3-one","Alias": "NA","Ingredient_formula": "C11H18O5","Ingredient_Smile": "CC1(CCC2C1C(OC(=O)C2CO)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10322","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

4-hydroxy-5-methoxy-10-methyl-oxecane-2,7-dione a

NA

C11H18O5 (230.1154)


{"Ingredient_id": "HBIN010496","Ingredient_name": "4-hydroxy-5-methoxy-10-methyl-oxecane-2,7-dione a","Alias": "NA","Ingredient_formula": "C11H18O5","Ingredient_Smile": "CC1CCC(=O)CC(C(CC(=O)O1)O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10425","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

4-Methoxycephalospolide G

NA

C11H18O5 (230.1154)


{"Ingredient_id": "HBIN010632","Ingredient_name": "4-Methoxycephalospolide G","Alias": "NA","Ingredient_formula": "C11H18O5","Ingredient_Smile": "CC1CCC(=O)CC(C(CC(=O)O1)O)OC","Ingredient_weight": "230.26 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10426","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11253214","DrugBank_id": "NA"}

   

(3r,4r,5s)-4-hydroxy-5-[(1r,2e)-1-hydroxy-4-methylpent-2-en-1-yl]-3-methoxyoxolan-2-one

(3r,4r,5s)-4-hydroxy-5-[(1r,2e)-1-hydroxy-4-methylpent-2-en-1-yl]-3-methoxyoxolan-2-one

C11H18O5 (230.1154)


   

5-methoxy-9-methylidene-1h,2h,3h-pyrrolo[2,1-b]quinazolin-3-ol

5-methoxy-9-methylidene-1h,2h,3h-pyrrolo[2,1-b]quinazolin-3-ol

C13H14N2O2 (230.1055)


   

(6r)-6-[(1r,2s)-1,2-dihydroxypentyl]-4-methoxy-5,6-dihydropyran-2-one

(6r)-6-[(1r,2s)-1,2-dihydroxypentyl]-4-methoxy-5,6-dihydropyran-2-one

C11H18O5 (230.1154)


   

2-(5-hydroxyhexyl)pent-2-enedioic acid

2-(5-hydroxyhexyl)pent-2-enedioic acid

C11H18O5 (230.1154)


   

10-ethoxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.0²,⁴]decan-5-ol

10-ethoxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.0²,⁴]decan-5-ol

C11H18O5 (230.1154)


   

7-methoxy-1h,2h,3h,4h,9h-pyrido[3,4-b]indole-1-carbaldehyde

7-methoxy-1h,2h,3h,4h,9h-pyrido[3,4-b]indole-1-carbaldehyde

C13H14N2O2 (230.1055)


   

(1s,4r,4as,5s,7s,7as)-5-hydroxy-7-(hydroxymethyl)-1-methoxy-4-methyl-hexahydro-1h-cyclopenta[c]pyran-3-one

(1s,4r,4as,5s,7s,7as)-5-hydroxy-7-(hydroxymethyl)-1-methoxy-4-methyl-hexahydro-1h-cyclopenta[c]pyran-3-one

C11H18O5 (230.1154)


   

(2e)-4-[(4e)-hex-4-en-3-yldisulfanyl]hex-2-ene

(2e)-4-[(4e)-hex-4-en-3-yldisulfanyl]hex-2-ene

C12H22S2 (230.1163)


   

5-hydroxy-7-(hydroxymethyl)-1-methoxy-4-methyl-hexahydro-1h-cyclopenta[c]pyran-3-one

5-hydroxy-7-(hydroxymethyl)-1-methoxy-4-methyl-hexahydro-1h-cyclopenta[c]pyran-3-one

C11H18O5 (230.1154)


   

(1r,4s,6r)-4-(2-hydroxypentyl)-4-methoxy-3,7-dioxabicyclo[4.1.0]heptan-2-one

(1r,4s,6r)-4-(2-hydroxypentyl)-4-methoxy-3,7-dioxabicyclo[4.1.0]heptan-2-one

C11H18O5 (230.1154)


   

4-hydroxy-6-[(2r,3r)-3-methyl-4-oxooxetan-2-yl]hexan-2-yl formate

4-hydroxy-6-[(2r,3r)-3-methyl-4-oxooxetan-2-yl]hexan-2-yl formate

C11H18O5 (230.1154)


   

(4s,5r,10r)-4-hydroxy-5-methoxy-10-methyloxecane-2,7-dione

(4s,5r,10r)-4-hydroxy-5-methoxy-10-methyloxecane-2,7-dione

C11H18O5 (230.1154)


   

1-hydroxy-3-phenyl-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one

1-hydroxy-3-phenyl-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one

C13H14N2O2 (230.1055)


   

(1r,2s,3r,4r)-2,3,4-trihydroxy-2-isopropyl-3-methyl-5-methylidenecyclopentane-1-carboxylic acid

(1r,2s,3r,4r)-2,3,4-trihydroxy-2-isopropyl-3-methyl-5-methylidenecyclopentane-1-carboxylic acid

C11H18O5 (230.1154)


   

(9r)-1h,2h,3h,9h-pyrrolo[2,1-b]quinazolin-9-ylacetic acid

(9r)-1h,2h,3h,9h-pyrrolo[2,1-b]quinazolin-9-ylacetic acid

C13H14N2O2 (230.1055)


   

(6s)-6-[(1s,4r)-1,4-dihydroxypentyl]-4-methoxy-5,6-dihydropyran-2-one

(6s)-6-[(1s,4r)-1,4-dihydroxypentyl]-4-methoxy-5,6-dihydropyran-2-one

C11H18O5 (230.1154)


   

methyl 2-(4-ethyl-2-methyl-5-oxooxolan-2-yl)-2-hydroxypropanoate

methyl 2-(4-ethyl-2-methyl-5-oxooxolan-2-yl)-2-hydroxypropanoate

C11H18O5 (230.1154)


   

(2e)-3-methoxy-3-[(3r,4r,5r)-5-methoxy-4,5-dimethyloxolan-3-yl]prop-2-enoic acid

(2e)-3-methoxy-3-[(3r,4r,5r)-5-methoxy-4,5-dimethyloxolan-3-yl]prop-2-enoic acid

C11H18O5 (230.1154)


   

(2z)-2-(5-hydroxyhexyl)pent-2-enedioic acid

(2z)-2-(5-hydroxyhexyl)pent-2-enedioic acid

C11H18O5 (230.1154)


   

(2z)-4-[(4z)-hex-4-en-3-yldisulfanyl]hex-2-ene

(2z)-4-[(4z)-hex-4-en-3-yldisulfanyl]hex-2-ene

C12H22S2 (230.1163)


   

3,11-dihydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one

3,11-dihydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one

C11H18O5 (230.1154)


   

4-(2-hydroxypentyl)-4-methoxy-3,7-dioxabicyclo[4.1.0]heptan-2-one

4-(2-hydroxypentyl)-4-methoxy-3,7-dioxabicyclo[4.1.0]heptan-2-one

C11H18O5 (230.1154)


   

(6s)-6-[(1s,3r)-1,3-dihydroxypentyl]-4-methoxy-5,6-dihydropyran-2-one

(6s)-6-[(1s,3r)-1,3-dihydroxypentyl]-4-methoxy-5,6-dihydropyran-2-one

C11H18O5 (230.1154)


   

(1s,3s)-1-methyl-1h,2h,3h,4h,9h-pyrido[3,4-b]indole-3-carboxylic acid

(1s,3s)-1-methyl-1h,2h,3h,4h,9h-pyrido[3,4-b]indole-3-carboxylic acid

C13H14N2O2 (230.1055)


   

(3r)-5-methoxy-9-methylidene-1h,2h,3h-pyrrolo[2,1-b]quinazolin-3-ol

(3r)-5-methoxy-9-methylidene-1h,2h,3h-pyrrolo[2,1-b]quinazolin-3-ol

C13H14N2O2 (230.1055)


   

(3s,6s)-3-isopropyl-6-[2-(methylsulfanyl)ethyl]-3,6-dihydropyrazine-2,5-diol

(3s,6s)-3-isopropyl-6-[2-(methylsulfanyl)ethyl]-3,6-dihydropyrazine-2,5-diol

C10H18N2O2S (230.1089)


   

6-(1,3-dihydroxypentyl)-4-methoxy-5,6-dihydropyran-2-one

6-(1,3-dihydroxypentyl)-4-methoxy-5,6-dihydropyran-2-one

C11H18O5 (230.1154)


   

(6s)-6-[(1s,2s)-1,2-dihydroxypentyl]-4-methoxy-5,6-dihydropyran-2-one

(6s)-6-[(1s,2s)-1,2-dihydroxypentyl]-4-methoxy-5,6-dihydropyran-2-one

C11H18O5 (230.1154)


   

2-(5-hydroxyhexyl)-3-methylidenebutanedioic acid

2-(5-hydroxyhexyl)-3-methylidenebutanedioic acid

C11H18O5 (230.1154)


   

4-hydroxy-5-(1-hydroxy-4-methylpent-2-en-1-yl)-3-methoxyoxolan-2-one

4-hydroxy-5-(1-hydroxy-4-methylpent-2-en-1-yl)-3-methoxyoxolan-2-one

C11H18O5 (230.1154)


   

6-(1,4-dihydroxypentyl)-4-methoxy-5,6-dihydropyran-2-one

6-(1,4-dihydroxypentyl)-4-methoxy-5,6-dihydropyran-2-one

C11H18O5 (230.1154)


   

(2e)-3-methoxy-3-[(3s,4r,5r)-5-methoxy-4,5-dimethyloxolan-3-yl]prop-2-enoic acid

(2e)-3-methoxy-3-[(3s,4r,5r)-5-methoxy-4,5-dimethyloxolan-3-yl]prop-2-enoic acid

C11H18O5 (230.1154)


   

(2s,3s,6s,8r,11s)-3,11-dihydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one

(2s,3s,6s,8r,11s)-3,11-dihydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecan-4-one

C11H18O5 (230.1154)


   

(6r)-6-[(1r,2r,3s)-1,2,3-trihydroxyhexyl]-5,6-dihydropyran-2-one

(6r)-6-[(1r,2r,3s)-1,2,3-trihydroxyhexyl]-5,6-dihydropyran-2-one

C11H18O5 (230.1154)


   

8,9-dimethoxy-1h,2h,3h-4λ⁵-pyrrolo[2,1-a]isoquinolin-4-ylium

8,9-dimethoxy-1h,2h,3h-4λ⁵-pyrrolo[2,1-a]isoquinolin-4-ylium

[C14H16NO2]+ (230.1181)


   

(1s,2s,4s,5s,6r,10r)-10-ethoxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.0²,⁴]decan-5-ol

(1s,2s,4s,5s,6r,10r)-10-ethoxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.0²,⁴]decan-5-ol

C11H18O5 (230.1154)


   

(1r,2r,3s,4s)-5-(3-hydroxy-3-methylbut-1-en-1-yl)cyclohex-5-ene-1,2,3,4-tetrol

(1r,2r,3s,4s)-5-(3-hydroxy-3-methylbut-1-en-1-yl)cyclohex-5-ene-1,2,3,4-tetrol

C11H18O5 (230.1154)


   

7-methoxy-1h,2h,3h,4h-pyrido[3,4-b]indole-9-carbaldehyde

7-methoxy-1h,2h,3h,4h-pyrido[3,4-b]indole-9-carbaldehyde

C13H14N2O2 (230.1055)


   

4-hydroxy-6-(3-methyl-4-oxooxetan-2-yl)hexan-2-yl formate

4-hydroxy-6-(3-methyl-4-oxooxetan-2-yl)hexan-2-yl formate

C11H18O5 (230.1154)


   

methyl (2s)-2-[(2r,4r)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate

methyl (2s)-2-[(2r,4r)-4-ethyl-2-methyl-5-oxooxolan-2-yl]-2-hydroxypropanoate

C11H18O5 (230.1154)


   

1h,2h,3h,9h-pyrrolo[2,1-b]quinazolin-9-ylacetic acid

1h,2h,3h,9h-pyrrolo[2,1-b]quinazolin-9-ylacetic acid

C13H14N2O2 (230.1055)


   

(1s,3r)-1-methyl-1h,2h,3h,4h,9h-pyrido[3,4-b]indole-3-carboxylic acid

(1s,3r)-1-methyl-1h,2h,3h,4h,9h-pyrido[3,4-b]indole-3-carboxylic acid

C13H14N2O2 (230.1055)


   

(6s)-6-[(1s,4s)-1,4-dihydroxypentyl]-4-methoxy-5,6-dihydropyran-2-one

(6s)-6-[(1s,4s)-1,4-dihydroxypentyl]-4-methoxy-5,6-dihydropyran-2-one

C11H18O5 (230.1154)