Exact Mass: 280.1594296

Chissonox 201

3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate

Fantridone

5-(3-(Dimethylamino)propyl)phenanthridin-6(5H)-one

C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent

brefeldin A

Brefeldin, 7-epi

D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents A metabolite from Penicillium brefeldianum that exhibits a wide range of antibiotic activity. relative retention time with respect to 9-anthracene Carboxylic Acid is 1.042 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.035 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.034 [Raw Data] CB245_Brefeldin-A_pos_50eV_isCID-10eV_rep000008.txt [Raw Data] CB245_Brefeldin-A_pos_40eV_isCID-10eV_rep000008.txt [Raw Data] CB245_Brefeldin-A_pos_30eV_isCID-10eV_rep000008.txt [Raw Data] CB245_Brefeldin-A_pos_20eV_isCID-10eV_rep000008.txt [Raw Data] CB245_Brefeldin-A_pos_10eV_isCID-10eV_rep000008.txt Brefeldin A (BFA) is a lactone antibiotic and a specific inhibitor of protein trafficking. Brefeldin A blocks the transport of secreted and membrane proteins from endoplasmic reticulum to Golgi apparatus[1][2]. Brefeldin A is also an autophagy and mitophagy inhibitor[3]. Brefeldin A is a CRISPR/Cas9 activator[5]. Brefeldin A inhibits HSV-1 and has anti-cancer activity[5]. Brefeldin A (BFA) is a lactone antibiotic and a specific inhibitor of protein trafficking. Brefeldin A blocks the transport of secreted and membrane proteins from endoplasmic reticulum to Golgi apparatus[1][2]. Brefeldin A is also an autophagy and mitophagy inhibitor[3]. Brefeldin A is a CRISPR/Cas9 activator[5]. Brefeldin A inhibits HSV-1 and has anti-cancer activity[5].

Feruloylcholine

(2-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}ethyl)trimethylazanium

C15H22NO4 (280.1548752)

Feruloylcholine is a constituent of garlic mustard (Alliaria officinalis). Constituent of garlic mustard (Alliaria officinalis).

Methyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate

Methyl 2-(7-hydroxy-8,8a-dimethyl-3-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)propanoic acid

Methyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate is found in green vegetables. Methyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot). Methyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate is found in green vegetables.

6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide

4-hydroxy-9a-methoxy-3,4a,5-trimethyl-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one

6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide is found in green vegetables. 6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot). 6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide is found in green vegetables.

3b-Hydroxy-6b-methoxy-7(11)-eremophilen-12,8a-olide

6-hydroxy-4-methoxy-3,4a,5-trimethyl-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one

3b-Hydroxy-6b-methoxy-7(11)-eremophilen-12,8a-olide is found in green vegetables. 3b-Hydroxy-6b-methoxy-7(11)-eremophilen-12,8a-olide is a constituent of Petasites japonicus (sweet coltsfoot).

Prehumulinic acid

3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)-2-(4-methylpentanoyl)cyclopent-2-en-1-one

Prehumulinic acid is found in alcoholic beverages. Prehumulinic acid is a constituent of hops Constituent of hops. Prehumulinic acid is found in alcoholic beverages.

Phenacetyl-carnitine

[(2R)-3-carboxy-2-[(2-phenylacetyl)oxy]propyl]trimethylazanium

C15H22NO4+ (280.1548752)

(1R,7S,13S,15S)-2,15-Dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one

1,13-dihydroxy-6-methyl-1H,4H,6H,7H,8H,9H,11aH,12H,13H,14H,14aH-cyclopenta[f]oxacyclotridecan-4-one

Lisofylline

1-(5-hydroxyhexyl)-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

8-Hydroxymianserin

5-methyl-2,5-diazatetracyclo[13.4.0.0^{2,7}.0^{8,13}]nonadeca-1(15),8,10,12,16,18-hexaen-17-ol

Albifylline

1-(5-hydroxy-5-methylhexyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents

1-(2,8-Dihydroxy-1,2,6-trimethyl-1,2,6,7,8,8a-hexahydronaphthalene-1-yl)-3-hydroxypropane-1-one

Hexane-1,5-diol 1-O-beta-D-glucopyranoside

C12H24O7 (280.1521954)

(-)-Zafronic acid methyl ester

Mairetolide E

7-Isobutyryloxythymohydroquinone dimethyl ether

Pestalotheol C

A natural product found in Pestalotiopsis theae.

6-Heptyl-3-methoxy-4-methylene-4,5,6,7a-tetrahydro-furo[2,3-b]pyran-2-one

SCHEMBL11422316

[1R-(1alpha,4alpha,4aalpha,6alpha,8aalpha)]-1,2,3,4,4a,5,6,8a-Octahydro-4,6-dihydroxy-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester

(2S,4S,5S,7S)-10-Hydroxy-7-isopropyl-2-methoxy-4-methyl-1-oxaspiro[4,6]undec-10-en-8-one

Mianserin 2-Oxide

CONFIDENCE standard compound; EAWAG_UCHEM_ID 3278

Maybridge3_004255

CCG-84

C15H24N2OS (280.1609254)

TCMDC-131557

Nocapyrone D

5-Ketone,6alpha,7alpha-epoxide,Me ester-Cantabrenonic acid

10-Hydroxyapparicine

(+)-5(6)-dihydro-6-methoxyterrecyclic acid A

Me ester-5-(1,3-Dihydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadienoic acid

Me ester-5(4鈥樏傗垎3)-Abeo-5-hydroxy-4-oxo-11(13)-eudesmen-12-oic acid|methyl-5beta-hydroxy-4-oxo-11(13)-dehydroiphionoate

isotorquatone

SCHEMBL7796792

8-Hydroxy-10-(5-methyl-4-oxo-2-cyclopenten-1-yl)-9-decenoic acid

7-Oxo-8-carbomethoxypinguisenol|7-oxo-pinguisenol-12-methyl ester|7-Oxopinguisenol-12-methyl ester

9-Acetoxy-4,5-dehydronerolisobutyrat

(-)-4-((2S,4R,6S)-tetrahydro-4-hydroxy-6-pentyl-2H-pyran-2-yl)benzene-1,2-diol|(2S,4R,6S)-2-(3,4-hydroxyphenyl)-4-hydroxy-6-pentyltetrahydropyran

Papuanone

6beta-methoxy-8beta-hydroxy-eremophil-7(11)-en-12,8alpha-olide

1beta,10alpha-epoxy-4-methoxyglechomanolide

(-)-Oxoepijuvabione

cumanin

MCULE-9655064557

C16H24O4

8-hydroxy-1-methoxy-gamma-butyrolactone dendrolasin

oblongolide W2

(8betaH)-form-13,14,15,16-Tetranor-1(10)-halimene-12,19-dioic acid|13,14,15,16-tetranorfriedo-1(10)-labden-12,19-dioic acid

Epilaccilahsholinsaeuremethylester|Methyl-epilaccilakscholinat

Me ether-Humulinic acid D

3beta-acetoxypolygonal

2-Methylbutyric acid 2-(2-hydroxy-4-methylphenyl)-2-methoxypropyl ester

1,2,3,4-Tetrahydro-9-methoxyellipticine

hebelophyllene F

8-ethoxy-9-isobutyryloxy-thymol

2,5-dihydroxy-3-methyl-6-nonylcyclohexa-2,5-diene-1,4-dione

phytuberin

Tagetolone

(4Z,5R)-4-ethylidene-3,4,6,7-tetrahydro-6-methylidene-2,5-ethanoazocino[4,3-b]indol-5(1H)-ol|15alpha-hydroxyapparicine

curcolide

(1R,4R,5R,8S,10R)-1-hydroxy-4-methoxyeudesm-7(11)-en-12,8-olide

5alpha-hydroxy-13-methoxy-7alphaH,11alphaH-eudesm-4(15)-en-12,8beta-lactone

Cytosporone U

(+)-(7S)-7-O-methylsydonic acid|(+)-7-O-methylsydonic acid

aspterric acid methyl ester

(11E,13Z)-1,7-dioxacyclooctadeca-11,13-diene-2,8-dione|mesuadione

6-(2-hydroxyethyl)-2-hydroxymethyl-7-methoxymethyl-2,5-dimethyl-indan-4-ol|russujaponol I

3,8-dihydroxy-heptadeca-9E,15E-dien-11,13-diyne-1-oic acid methyl ester

1beta,8alpha-dihydroxyeudesma-3,5-dien-12-carboxylic acid methyl ester|jatrophaeudesmene A

10beta-hydroxy-8beta-methoxyeremophilenolide|8-Me ether-8,10-Dihydroxy-7(11)-eremophilen-12,8-olide

Epchrosine

18-oxo-aylthonic acid

Gloeophyllol D

Me ester-5-(1,4-Dihydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadienoic acid

Tetra-nor-labda-19-oic acid-12,8beta-olide

2-<<1R-(1alpha,4alpha,5alpha)>-5-Methyl-3-oxo-4-(3-oxobutyl)cyclohexyl>propensaeure-methylester|2-[(1R-(1alpha,4alpha,5alpha))-5-Methyl-3-oxo-4-(3-oxobutyl)cyclohexyl]propensaeure-methylester

CHEMBL4072624

TORQUATONE

1alpha,6alpha-dihydroxyisocostic acid methyl ester

12alpha-hxdroxyoblongolide S|oblongolide U

comosone III

oblongolide X

2-deoxy-4alpha-hydroxyoblongolide X

7-(2,3-Dimethoxyphenyl)heptansaeuremethylester|methyl 7-(2,3-dimethoxyphenyl)heptanoate

8alpha-hxdroxyoblongolide T|oblongolide V

Me ester-4,5-Dioxo-4,5-seco-11(13)-eudesmen-12-oic acid|methyl-4,5-dioxo-seco-isocostoate

(4aR,5R,8aR,9aS)-4a,5,6,7,8,8a,9,9a-octahydro-5-hydroxy-9a-methoxy-3,5,8a-trimethylnaphtho[2,3-b]furan-2(4H)-one|4alpha-hydroxy-5alpha(H)-8beta-methoxyeudesm-7(11)-en-8,12-olide

(4aR*,5R*,8aR*,9aS*)-4a,5,6,7,8,8a,9,9a-octahydro-5-hydroxy-9a-methoxy-3,5,8a-trimethylnaphtho[2,3-b]furan-2(4H)-one|4alpha-hydroxy-5alpha(H)-8beta-methoxyeudesm-7(11)-en-8,12-olide

Lisofylline

3,7-dihydro-1-(5-hydroxyhexyl)-3,7-dimethyl-1H-purine-2,6-dione

D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D011838 - Radiation-Sensitizing Agents D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents

7-benzyloxygramine

relative retention time with respect to 9-anthracene Carboxylic Acid is 0.741

1-Phenyl-2-(3,4,5,6-tetrahydro-2H-[2,3]bipyridinyl-1-yl)-ethanone

"NCGC00160343-01!1-Phenyl-2-(3,4,5,6-tetrahydro-2H-[2,3]bipyridinyl-1-yl)-ethanone"

4-hydroxy-1-methoxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one

NCGC00381408-01!4-hydroxy-1-methoxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one

Feruloylcholine

[C15H22NO4]+ (280.1548752)

C16H24O4_4-Hydroxy-1-methoxy-6,6,9a-trimethyl-4,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-3(1H)-one

NCGC00381408-02_C16H24O4_4-Hydroxy-1-methoxy-6,6,9a-trimethyl-4,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-3(1H)-one

C16H24O4_[4a-Formyl-5-(hydroxymethyl)-1,2-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]acetic acid

NCGC00381353-01_C16H24O4_[4a-Formyl-5-(hydroxymethyl)-1,2-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]acetic acid

(1R,2E,7R,10E,12S,13S,15R)-12,15-dihydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one

MMV021375

Decumbenone A

(1R,2E,7R,10E,12S,13S,15R)-12,15-dihydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one_major

(1R,2E,7R,10E,12S,13S,15R)-12,15-dihydroxy-7-methyl-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-9-one_minor

2-(3-(8-Hydroxyoctyl)phenoxy)acetic acid

2-(8-Hydroxyoctyl)-6-methoxybenzoic acid

8-Hydroxymianserin

(R)-Lisofylline

3,7-dihydro-1-[(5R)-5-hydroxyhexyl]-3,7-dimethyl-1H-purine-2,6-dione

A 1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione that has (R)-configuration. A synthetic small molecule which was under development for the treatment of type 1 diabetes mellitus.

(S)-Lisofylline

3,7-dihydro-1-[5S-hydroxyhexyl]-3,7-dimethyl-1H-purine-2,6-dione

A 1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione that has (S)-configuration. It is the inactive optical enantiomer of (R)-lisofylline, an anti-inflammatory agent.

Prehumulinic acid

3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)-2-(4-methylpentanoyl)cyclopent-2-en-1-one

Feruloylcholine

(2-{[(2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}ethyl)trimethylazanium

C15H22NO4 (280.1548752)

6-Hydroxy-8-methoxy-7(11)-eremophilen-12,8-olide

4-hydroxy-9a-methoxy-3,4a,5-trimethyl-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one

3b-Hydroxy-6b-methoxy-7(11)-eremophilen-12,8a-olide

6-hydroxy-4-methoxy-3,4a,5-trimethyl-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one

Methyl (3b,11x)-3-Hydroxy-8-oxo-6-eremophilen-12-oate

methyl 2-(7-hydroxy-8,8a-dimethyl-3-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)propanoate

FA 16:4;O2

5-Acetoxy-tetradeca-2,4,6-trienoic acid, (E,E,E)-

Albanitrile C

17-Hydroxyoctadeca-6,8,10-triynedinitrile

1,4-cyclohexanedimethyl 1,4-dimethacrylate

ethyl 2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetate

C13H21BN2O4 (280.1594296)

4-(4-Benzyl-1-piperazinyl)benzaldehyde

2-(1H-indol-3-yl)ethyl-[(3-methoxyphenyl)methyl]azanium

3-(2-AMINOETHYL)-6-BENZYLOXY-1-METHYLINDOLE

dimethyl 1,3-adamantanediacetate

2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]acetic acid

C15H24O3Si (280.1494634)

2-METHYL-5-(6-PHENYLPYRIDAZIN-3-YL)OCTAHYDROPYRROLO[3,4-C]PYRROLE

1-(4-Methoxy-3-(3-Methoxypropoxy)Phenyl)-3-Methylbutan-1-One

1-BOC-3-[(2-FLUOROPHENYL-AMINO)-METHYL]-AZETIDINE

1-BOC-3-[(4-FLUOROPHENYL-AMINO)-METHYL]-AZETIDINE

1-(1,3-DIOXOLAN-2-YLMETHYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE

C13H21BN2O4 (280.1594296)

3-(3-FLUORO-PHENYLAMINO)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

C18H21BO2 (280.16345160000003)

4-biphenylboronic acid, pinacol ester

N-[(5-Amino-1,3,3-Trimethylcyclohexyl)Methyl]-beta-Alanine Monopotassium Salt

C13H25KN2O2 (280.155301)

3-(3-FLUORO-BENZYLAMINO)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

1-BOC-3-[(3-FLUOROPHENYL-AMINO)-METHYL]-AZETIDINE

5-benzyloxygramine

C14H25BO3Si (280.16659300000003)

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

C13H21BN2O4 (280.1594296)

(2-(2-((TERT-BUTYLDIMETHYLSILYL)OXY)ETHYL)PHENYL)BORONIC ACID

3-(2-FLUORO-PHENYLAMINO)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

3-(4-FLUORO-PHENYLAMINO)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

C18H21BO2 (280.16345160000003)

Biphenyl-2-boronic acid pinacol ester

(R)-TERT-BUTYL (1-OXO-1-(2-(PYRIDIN-2-YL)HYDRAZINYL)PROPAN-2-YL)CARBAMATE

tert-butyl 3-(4-fluorophenyl)piperazine-1-carboxylate

(S)-TERT-BUTYL (1-OXO-1-(2-(PYRIDIN-2-YL)HYDRAZINYL)PROPAN-2-YL)CARBAMATE

tert-butyl 4-(6-fluoropyridin-3-yl)piperidine-1-carboxylate

2,2-diphenyl-1-piperazin-1-yl-ethanone

Ciclosidomine

C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents

2,4,4-trimethylpentan-2-yl 2-phenoxyethaneperoxoate

2,2-Diphenyl-2-[(3S)-3-pyrrolidinyl]acetamide

(4-benzylpiperidin-1-yl)-pyridin-4-ylmethanone

tert-butyl 4-(4-fluorophenyl)piperazine-1-carboxylate

C18H21BO2 (280.16345160000003)

hexanedioic acid,3-(3-hydroxypropoxy)propan-1-ol

C12H24O7 (280.1521954)

2-([1,1-Biphenyl]-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

4-n-decylbenzoyl chloride

C17H25ClO (280.159383)

1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone

3-Chloro-1-(4-octylphenyl)-1-propanone

C17H25ClO (280.159383)

tert-butyl 4-(5-hydroxypyrimidin-2-yl)piperazine-1-carboxylate

2-(4-benzylpiperazino)benzaldehyde

TERT-BUTYL 2-AMINO-4-HYDROXY-8,9-DIHYDRO-5H-PYRIMIDO[4,5-D]AZEPINE-7(6H)-CARBOXYLATE

3-((2-(Benzoyloxy)ethyl)phenylamino)propiononitrile

1H-Indole-3-methanamine,N,N-dimethyl-6-(phenylmethoxy)-

2-Methyl-2-propanyl 4-(4-formyl-1H-1,2,3-triazol-1-yl)-1-piperidi necarboxylate

Deuterated s-lisofylline

2-methyl-5-(1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl)aniline

ER-27319 free base

2-methyl-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4-pyrimidinamine

(+)-(7S)-7-O-methylsydonic acid

A sesquiterpenoid that is the 7-O-methyl derivative of (+)-(7S)-sydonic acid. An Aspergillus metabolite isolated from the sea fan derived fungus Aspergillus sydowii.

1h-Pyrazolo[4,3-b]pyridin-7-amine,5-methyl-n-(2-methylpropyl)-3-phenyl-

Disilane, pentamethyl[4-(trimethylsilyl)phenyl]-

C14H28Si3 (280.1498728)

(5S)-1-(3,4-dihydroxyphenyl)-5-hydroxydecan-3-one

a Jasmonate-alanine

(-)-jasmonoyl-L-alanine

(+)-7-epi-jasmonoyl-L-alanine

Feruloylcholine

C15H22NO4+ (280.1548752)

5-Dehydrofumagillol

1-Phenyl-2-(2-pyridin-3-ylpiperidin-1-yl)ethanone

2-[4a-Formyl-5-(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetic acid

4-hydroxy-1-methoxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one

3-(4-methylphenyl)-N-phenyl-1-pyrrolidinecarboxamide

dainate A

(1R,2R,3Z,7S,11E,15S)-2,15-dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one

2,3-Dimethyl-1-(methyldiphenylsilyl)-2-butene

C19H24Si (280.16471839999997)

Methyl (3R,6S)-7-benzyloxy-3-hydroxy-6-methylheptanoate

(1S,2S,3Z,7R,11Z,13R,15R)-2,15-dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one

6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide

dainate A(1-)

C15H22NO4 (280.1548752)

A dicarboxylic acid anion that is conjugate base of dainic acid A, arising from the deprotonation of the carboxy groups and protonation of the pyrrolidine nitrogen. Major species at pH 7.3.

7-Acetoxy-2E,4E,6E-tetradecatrienoic acid

5-Acetoxy-tetradeca-2E,4E,6E-trienoic acid

1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

A dimethylxanthine that is 3,7-dihydro-1H-purine-2,6-dione which is substituted at positions 1,3 and 7 by a 5-hydroxyhexyl group, methyl group and methyl group, respectively.

FAHFA 8:1/O-8:2

FAHFA 8:2/O-8:1

1-[(1as,4s,4as,5s,6s,8s,8as)-6-acetyl-8-hydroxy-4,4a-dimethyl-octahydronaphtho[4,4a-b]oxiren-5-yl]ethanone

(2r)-2-methyl-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)butan-1-one

methyl 2-[(2r,4ar,8ar)-8a-hydroperoxy-4a-methyl-8-methylidene-hexahydro-1h-naphthalen-2-yl]prop-2-enoate

methyl 2-{2-[2-hydroxy-3-(oxiran-2-yl)but-3-en-1-yl]-3,3-dimethylcyclobutyl}prop-2-enoate

(6r,7ar)-6-heptyl-3-methoxy-4-methylidene-5h,6h,7ah-furo[2,3-b]pyran-2-one

methyl 2-[(2r,8ar)-8a-hydroperoxy-4a-methyl-8-methylidene-hexahydro-1h-naphthalen-2-yl]prop-2-enoate

methyl 2-(3-acetyl-3a-hydroxy-7a-methyl-hexahydro-1h-inden-5-yl)prop-2-enoate

methyl (4r)-4-[(2s)-6-methyl-4-oxoheptan-2-yl]-3-oxocyclohex-1-ene-1-carboxylate

methyl 2-[4-methyl-3-oxo-4-(4-oxopentyl)cyclohexyl]prop-2-enoate

3-hydroxy-4-[(2r)-2-methoxy-6-methylheptan-2-yl]benzoic acid

2-[(4s,6s)-6-ethyl-7-hydroxy-4-methylhept-2-en-2-yl]-6-methoxypyran-4-one

(2r,3as,5r)-3a-methoxy-2-(2-methoxypropan-2-yl)-5-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1-benzofuran-6-one

4-hydroxy-2-(hydroxymethyl)-8,10b-dimethyl-2h,4h,4ah,6ah,7h,8h,9h,10h,10ah-naphtho[2,1-c]pyran-1-one

5-hydroxy-1-(4-hydroxy-2-methoxy-3,6-dimethylphenyl)-2-methylhexan-3-one

4-[(2s,4r,6s)-4-hydroxy-6-pentyloxan-2-yl]benzene-1,2-diol

(4ar,5s,8r,8ar,9ar)-8a-hydroxy-8-methoxy-3,4a,5-trimethyl-4h,5h,6h,7h,8h,9h,9ah-naphtho[2,3-b]furan-2-one

(4ar,5s,8as,9as)-8a-hydroxy-9a-methoxy-3,4a,5-trimethyl-4h,5h,6h,7h,8h,9h-naphtho[2,3-b]furan-2-one

(1r,4ar,6as,8r,10ar,10bs)-1-hydroxy-1-(hydroxymethyl)-8,10b-dimethyl-4h,4ah,6ah,7h,8h,9h,10h,10ah-naphtho[2,1-c]pyran-2-one

4-(hydroxymethyl)-3-methoxy-8,12-dimethyl-2-oxatricyclo[7.3.1.0⁵,¹³]trideca-4,11-dien-6-ol

5-(carboxymethyl)-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid

methyl 2-[(1r,4r,4ar,6s,8ar)-4,6-dihydroxy-4,7-dimethyl-2,3,4a,5,6,8a-hexahydro-1h-naphthalen-1-yl]prop-2-enoate

2-methoxy-3,5-dimethyl-6-(5-methyl-6-oxoheptyl)pyran-4-one

methyl 2-(1,3-dihydroxy-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1h-naphthalen-2-yl)prop-2-enoate

2-methoxy-3,5-dimethyl-6-[(5r)-5-methyl-6-oxoheptyl]pyran-4-one

(2z,4e,6z)-8-(acetyloxy)-3,7-dimethylocta-2,4,6-trien-1-yl 2-methylpropanoate

11-Dodecenyl trifluoroacetate

dodec-11-enyl 2,2,2-trifluoroacetate; dodec-11-enyl 2,2,2-trifluoroethanoate; 11-Dodecen-1-ol trifluoroacetate; 2,2,2-trifluoroacetic acid dodec-11-enyl ester

C14H23F3O2 (280.1650054)

{"Ingredient_id": "HBIN000415","Ingredient_name": "11-Dodecenyl trifluoroacetate","Alias": "dodec-11-enyl 2,2,2-trifluoroacetate; dodec-11-enyl 2,2,2-trifluoroethanoate; 11-Dodecen-1-ol trifluoroacetate; 2,2,2-trifluoroacetic acid dodec-11-enyl ester","Ingredient_formula": "C14H23F3O2","Ingredient_Smile": "C=CCCCCCCCCCCOC(=O)C(F)(F)F","Ingredient_weight": "280.33 g/mol","OB_score": "19.76059422","CAS_id": "NA","SymMap_id": "SMIT12521","TCMID_id": "NA","TCMSP_id": "MOL011650","TCM_ID_id": "NA","PubChem_id": "543399","DrugBank_id": "NA"}

3,6-dihydroxy-7(11)-eremophilen-12,8-olide; (3β,6α,8β,10β)-form,6-me ether

{"Ingredient_id": "HBIN007715","Ingredient_name": "3,6-dihydroxy-7(11)-eremophilen-12,8-olide; (3\u03b2,6\u03b1,8\u03b2,10\u03b2)-form,6-me ether","Alias": "NA","Ingredient_formula": "C16H24O4","Ingredient_Smile": "NA","Ingredient_weight": "280.36","OB_score": "NA","CAS_id": "171595-26-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8242","PubChem_id": "NA","DrugBank_id": "NA"}

3,6-dihydroxy-7(11)-eremophilen-12,8-olide; (3β,6β,8α,10β)-form,6-me ether

{"Ingredient_id": "HBIN007717","Ingredient_name": "3,6-dihydroxy-7(11)-eremophilen-12,8-olide; (3\u03b2,6\u03b2,8\u03b1,10\u03b2)-form,6-me ether","Alias": "NA","Ingredient_formula": "C16H24O4","Ingredient_Smile": "NA","Ingredient_weight": "280.36","OB_score": "NA","CAS_id": "171595-27-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8240","PubChem_id": "NA","DrugBank_id": "NA"}

[5]-gingerol

{"Ingredient_id": "HBIN011550","Ingredient_name": "[5]-gingerol","Alias": "NA","Ingredient_formula": "C16H24O4","Ingredient_Smile": "CCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O","Ingredient_weight": "280.36 g/mol","OB_score": "8.105783503","CAS_id": "NA","SymMap_id": "SMIT07794","TCMID_id": "NA","TCMSP_id": "MOL006132","TCM_ID_id": "19289","PubChem_id": "15839352","DrugBank_id": "NA"}

6,8-dihydroxy-3,11(13)-eudesmadien-12-oic acid; (6α,8α)-form,me ester

{"Ingredient_id": "HBIN012120","Ingredient_name": "6,8-dihydroxy-3,11(13)-eudesmadien-12-oic acid; (6\u03b1,8\u03b1)-form,me ester","Alias": "NA","Ingredient_formula": "C16H24O4","Ingredient_Smile": "NA","Ingredient_weight": "280.36","OB_score": "NA","CAS_id": "187523-43-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7605","PubChem_id": "NA","DrugBank_id": "NA"}

(2r,4r,4ar,6as,8r,10ar,10bs)-4-hydroxy-2-(hydroxymethyl)-8,10b-dimethyl-2h,4h,4ah,6ah,7h,8h,9h,10h,10ah-naphtho[2,1-c]pyran-1-one

(1r,4as,6ar,8s,10as,10br)-1-hydroxy-1-(hydroxymethyl)-8,10b-dimethyl-4h,4ah,6ah,7h,8h,9h,10h,10ah-naphtho[2,1-c]pyran-2-one

(2s,4s,4as,6ar,8s,10as,10br)-4-hydroxy-2-(hydroxymethyl)-8,10b-dimethyl-2h,4h,4ah,6ah,7h,8h,9h,10h,10ah-naphtho[2,1-c]pyran-1-one