Exact Mass: 294.1216

Exact Mass Matches: 294.1216

Found 215 metabolites which its exact mass value is equals to given mass value 294.1216, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Aspartame

(3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid

C14H18N2O5 (294.1216)


Aspartame is the name for an artificial, non-carbohydrate sweetener, aspartyl-phenylalanine-1-methyl ester; i.e., the methyl ester of the dipeptide of the amino acids aspartic acid and phenylalanine. It is marketed under a number of trademark names, such as Equal, and Canderel, and is an ingredient of approximately 6,000 consumer foods and beverages sold worldwide. It is commonly used in diet soft drinks, and is often provided as a table condiment. It is also used in some brands of chewable vitamin supplements. In the European Union, it is also known under the E number (additive code) E951. Aspartame is also one of the sugar substitutes used by diabetics. Upon ingestion, aspartame breaks down into several constituent chemicals, including the naturally-occurring essential amino acid phenylalanine which is a health hazard to the few people born with phenylketonuria, a congenital inability to process phenylalanine. Aspartic acid is an amino acid commonly found in foods. Approximately 40\\\% of aspartame (by mass) is broken down into aspartic acid. Because aspartame is metabolized and absorbed very quickly (unlike aspartic acid-containing proteins in foods), it is known that aspartame could spike blood plasma levels of aspartate. Aspartic acid is in a class of chemicals known as excitotoxins. Abnormally high levels of excitotoxins have been shown in hundreds of animals studies to cause damage to areas of the brain unprotected by the blood-brain barrier and a variety of chronic diseases arising out of this neurotoxicity. Compd. with 100 times the sweetness of sucrose. Artificial sweetener permitted in foods in EU at 300-5500 ppmand is also permitted in USA. Widely used in foods, beverages and pharmaceutical formulations D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 2770 Aspartame (SC-18862) is a methyl ester of a dipeptide. Aspartame can be used as a synthetic nonnutritive sweetener[1][2].

   

2-Butyl-3-(4-hydroxybenzoyl)benzofuran

(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone

C19H18O3 (294.1256)


   

4'-tert-Butyl-2',6'-dimethyl-3',5'-dinitroacetophenone

1-[4-(1,1-Dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]ethanone, 9CI

C14H18N2O5 (294.1216)


Musk ketone is a light yellow crystalline solid. Insoluble in water. (NTP, 1992) 4-tert-Butyl-2,6-dimethyl-3,5-dinitroacetophenone is an aromatic ketone. Musk ketone is a natural product found in Moschus with data available. 4-tert-Butyl-2,6-dimethyl-3,5-dinitroacetophenone is listed in the EAFUS Food Additive Database (Jan 2001 Listed in the EAFUS Food Additive Database (Jan 2001) D000970 - Antineoplastic Agents Musk ketone is a widely used artificial fragrance. Musk ketone is also a cytochrome P450 enzyme inducer. Musk ketone shows mutagenic and comutagenic effects in Hep G2 cells and induces neural stem cell proliferation and differentiation in cerebral ischemia via activation of the PI3K/Akt signaling pathway. In the brain, musk ketone is neuroprotective against stroke injury through inhibition of cell apoptosis[1][2][3]. Musk ketone (MK) is a widely used artificial fragrance. Musk ketone shows mutagenic and comutagenic effects in Hep G2 cells and induces neural stem cell proliferation and differentiation in cerebral ischemia via activation of the PI3K/Akt signaling pathway. In the brain, musk ketone is neuroprotective against stroke injury through inhibition of cell apoptosis[1][2][3].

   

gamma-Glutamylphenylalanine

(2S)-2-Amino-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid

C14H18N2O5 (294.1216)


gamma-Glutamylphenylalanine is a dipeptide composed of gamma-glutamate and phenylalanine, and is a proteolytic breakdown product of larger proteins. It is probably formed by transpeptidation between glutathione and the corresponding amino acid, catalyzed by gamma-glutamyl transpeptidase (PMID: 237763). gamma-Glutamylphenylalanine belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamylphenylalanine 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 can be detected in the urine of patients with phenylketonuria, which is a human genetic disorder due to the lack of phenylalanine hydroxylase to metabolize phenylalanine to tyrosine (Wikipedia). gamma-Glutamylphenylalanine is found in adzuki bean, onion (Allium cepa), garlic (Allium sativum), and soybean. γ-Glu-Phe (γ-Glutamylphenylalanine) is synthesized by Bacillus amyloliquefaciens (GBA) and Aspergillus oryzae (GAO). γ-Glu-Phe or the post-enzymatic reaction mixture enhances the umami intensity of commercial soy sauce and model chicken broth[1]. γ-Glu-Phe (γ-Glutamylphenylalanine) is synthesized by Bacillus amyloliquefaciens (GBA) and Aspergillus oryzae (GAO). γ-Glu-Phe or the post-enzymatic reaction mixture enhances the umami intensity of commercial soy sauce and model chicken broth[1].

   

1-Methoxy-4-[5-(4-methoxyphenoxy)-3-penten-1-ynyl]benzene

1-methoxy-4-{[(2Z)-5-(4-methoxyphenyl)pent-2-en-4-yn-1-yl]oxy}benzene

C19H18O3 (294.1256)


1-Methoxy-4-[5-(4-methoxyphenoxy)-3-penten-1-ynyl]benzene is found in green vegetables. 1-Methoxy-4-[5-(4-methoxyphenoxy)-3-penten-1-ynyl]benzene is a constituent of the cultured cells of asparagus (Asparagus officinalis). Constituent of the cultured cells of asparagus (Asparagus officinalis). 1-Methoxy-4-[5-(4-methoxyphenoxy)-3-penten-1-ynyl]benzene is found in green vegetables.

   

Glutamylphenylalanine

(4S)-4-Amino-4-{[(1S)-1-carboxy-2-phenylethyl]-C-hydroxycarbonimidoyl}butanoate

C14H18N2O5 (294.1216)


Glutamylphenylalanine is a dipeptide composed of glutamate and phenylalanine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylphenylalanine 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.

   

L-gamma-Glutamyl-beta-phenyl-beta-L-alanine

2-Amino-4-[(2-carboxy-1-phenylethyl)-C-hydroxycarbonimidoyl]butanoate

C14H18N2O5 (294.1216)


L-gamma-Glutamyl-beta-phenyl-beta-L-alanine is found in pulses. L-gamma-Glutamyl-beta-phenyl-beta-L-alanine is isolated from Phaseolus angularis (Azuki bean). Isolated from Phaseolus angularis (Azuki bean). L-gamma-Glutamyl-beta-phenyl-beta-L-alanine is found in pulses.

   

Ethyl (S)-3-hydroxybutyrate glucoside

Ethyl 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoic acid

C12H22O8 (294.1315)


Ethyl (S)-3-hydroxybutyrate glucoside is found in fruits. Ethyl (S)-3-hydroxybutyrate glucoside is a constituent of the fruit of mountain papaya Carica pubescens

   

(E)-1-[4-Hydroxy-3-(3-methyl-1,3-butadienyl)phenyl]-2-(3,5-dihydroxyphenyl)ethylene

5-[(Z)-2-{4-hydroxy-3-[(1Z)-3-methylbuta-1,3-dien-1-yl]phenyl}ethenyl]benzene-1,3-diol

C19H18O3 (294.1256)


(E)-1-[4-Hydroxy-3-(3-methyl-1,3-butadienyl)phenyl]-2-(3,5-dihydroxyphenyl)ethylene is found in nuts. (E)-1-[4-Hydroxy-3-(3-methyl-1,3-butadienyl)phenyl]-2-(3,5-dihydroxyphenyl)ethylene is a constituent of Arachis hypogaea (peanuts). Constituent of Arachis hypogaea (peanuts). (E)-1-[4-Hydroxy-3-(3-methyl-1,3-butadienyl)phenyl]-2-(3,5-dihydroxyphenyl)ethylene is found in nuts.

   

Phenylalanylglutamic acid

(2S)-2-[(2S)-2-amino-3-phenylpropanamido]pentanedioic acid

C14H18N2O5 (294.1216)


Phenylalanylglutamic acid is a dipeptide composed of phenylalanine and glutamic acid. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

   

Hydroxyprolyl-Tyrosine

2-{[hydroxy(4-hydroxypyrrolidin-2-yl)methylidene]amino}-3-(4-hydroxyphenyl)propanoate

C14H18N2O5 (294.1216)


Hydroxyprolyl-Tyrosine is a dipeptide composed of hydroxyproline and tyrosine. 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.

   

Tyrosylhydroxyproline

(2S,4R)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C14H18N2O5 (294.1216)


​Tyrosylhydroxyproline is a dipeptide composed of tyrosine and hydroxyproline. 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.

   

Kelatorphan

2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-propionic acid

C14H18N2O5 (294.1216)


   

Lidofenin

2-[(carboxymethyl)({[(2,6-dimethylphenyl)-C-hydroxycarbonimidoyl]methyl})amino]acetic acid

C14H18N2O5 (294.1216)


   

Tanshinone IIA

6,6,14-trimethyl-12-oxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1,7,9,11(15),13-pentaene-16,17-dione

C19H18O3 (294.1256)


   

3-Isopentadienyl-3',4,5'-trihydroxystilbene

5-[(E)-2-{4-hydroxy-3-[(1E)-3-methylbuta-1,3-dien-1-yl]phenyl}ethenyl]benzene-1,3-diol

C19H18O3 (294.1256)


3-isopentadienyl-3,4,5-trihydroxystilbene is a member of the class of compounds known as stilbenes. Stilbenes are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. 3-isopentadienyl-3,4,5-trihydroxystilbene is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3-isopentadienyl-3,4,5-trihydroxystilbene can be found in peanut, which makes 3-isopentadienyl-3,4,5-trihydroxystilbene a potential biomarker for the consumption of this food product.

   

gamma-Glutamylphenylalanine

gamma-Glutamylphenylalanine

C14H18N2O5 (294.1216)


γ-Glu-Phe (γ-Glutamylphenylalanine) is synthesized by Bacillus amyloliquefaciens (GBA) and Aspergillus oryzae (GAO). γ-Glu-Phe or the post-enzymatic reaction mixture enhances the umami intensity of commercial soy sauce and model chicken broth[1]. γ-Glu-Phe (γ-Glutamylphenylalanine) is synthesized by Bacillus amyloliquefaciens (GBA) and Aspergillus oryzae (GAO). γ-Glu-Phe or the post-enzymatic reaction mixture enhances the umami intensity of commercial soy sauce and model chicken broth[1].

   

1ST40088

Phenanthro[1,2-b]furan-10,11-dione, 6,7,8,9-tetrahydro-1,6,6-trimethyl-

C19H18O3 (294.1256)


1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g]benzofuran-10,11-dione is an abietane diterpenoid. Tanshinone IIA is a natural product found in Salvia miltiorrhiza, Salvia digitaloides, and other organisms with data available. See also: Salvia Miltiorrhiza Root (part of). D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D000925 - Anticoagulants D000893 - Anti-Inflammatory Agents D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents

   

2-methoxy-4-[3-methyl-5-(1-propenyl)-2-benzofuranyl]-phenol

2-methoxy-4-[3-methyl-5-(1-propenyl)-2-benzofuranyl]-phenol

C19H18O3 (294.1256)


   

Methyl oroxylopterocarpan

(6aR,11aR)-5,5-Dimethyl-4,5-dihydrofurano[2,3:3:2]pterocarpan

C19H18O3 (294.1256)


   
   

5-Hydroxy-7-[2-(4-hydroxyphenyl)ethenyl]-2,2-dimethyl-2H-1-benzopyran

5-Hydroxy-7-[2-(4-hydroxyphenyl)ethenyl]-2,2-dimethyl-2H-1-benzopyran

C19H18O3 (294.1256)


   

Demethylmultiorthoquinone

Demethylmultiorthoquinone

C19H18O3 (294.1256)


   

Maybridge3_001401

Maybridge3_001401

C16H14N4O2 (294.1117)


   

Tanshinone IIA

Tanshinone IIA

C19H18O3 (294.1256)


D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D000925 - Anticoagulants D000893 - Anti-Inflammatory Agents D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents

   

Maybridge1_006725

Maybridge1_006725

C18H18N2S (294.1191)


   

MCULE-6020703373

MCULE-6020703373

C16H14N4O2 (294.1117)


   

1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one

1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one

C19H18O3 (294.1256)


   

MS000011116

MS000011116

C19H18O3 (294.1256)


   
   

Sterequinone H

Sterequinone H

C19H18O3 (294.1256)


   

Stophanthobiose

Stophanthobiose

C12H22O8 (294.1315)


   

5-Hydroxy-4-methylpentansaeure-5-O-beta-glucosid|gamma-methyl-delta-hydroxy-pentanoic acid beta-D-glucopyranoside|gamma-Methyl-delta-hydroxy-pentansaeureglucosid

5-Hydroxy-4-methylpentansaeure-5-O-beta-glucosid|gamma-methyl-delta-hydroxy-pentanoic acid beta-D-glucopyranoside|gamma-Methyl-delta-hydroxy-pentansaeureglucosid

C12H22O8 (294.1315)


   

1,5(10),6,8,13-abietapentaene-3,11,12-trione|saligerone

1,5(10),6,8,13-abietapentaene-3,11,12-trione|saligerone

C19H18O3 (294.1256)


   

Trideoxy-8-asadaninene

Trideoxy-8-asadaninene

C19H18O3 (294.1256)


   

MS000097726

MS000097726

C19H18O3 (294.1256)


   

termilignan B

termilignan B

C19H18O3 (294.1256)


An olefinic compound that is 2,3-dimethylbuta-1,3-diene substituted by a 4-hydroxyphenyl and a 1,3-benzodioxol-5-yl group. It has been isolated from Terminalia sericea.

   

(Z,Z)-1,13-Diisothiocyanato-1,12-tridecadiene

(Z,Z)-1,13-Diisothiocyanato-1,12-tridecadiene

C15H22N2S2 (294.1224)


   

2-(2,4-dimethoxyphenyl)-5-(E)-propenylbenzofuran

2-(2,4-dimethoxyphenyl)-5-(E)-propenylbenzofuran

C19H18O3 (294.1256)


   

Isotanshinone IIA

Phenanthro[3,2-b]furan-7,11-dione, 1,2,3,4-tetrahydro-4,4,8-trimethyl-

C19H18O3 (294.1256)


Isotanshinone IIA is a natural product found in Salvia miltiorrhiza and Salvia glutinosa with data available.

   

3-Methyl-6-hydroxy-8-phenethyl-2,5-dihydro-1-benzooxepin-5-one

3-Methyl-6-hydroxy-8-phenethyl-2,5-dihydro-1-benzooxepin-5-one

C19H18O3 (294.1256)


   

rel-(7R,8R)-3,4-methylenedioxy-4?,7-epoxy-8,3?-neolignan-7?[E]-ene

rel-(7R,8R)-3,4-methylenedioxy-4?,7-epoxy-8,3?-neolignan-7?[E]-ene

C19H18O3 (294.1256)


   

Antibiotic RK 1441A

Antibiotic RK 1441A

C14H18N2O5 (294.1216)


   

(4E,6E)-1,7-bis(4-hydroxyphenyl)-4,6-heptadien-3-one

(4E,6E)-1,7-bis(4-hydroxyphenyl)-4,6-heptadien-3-one

C19H18O3 (294.1256)


   

12-Demethylmultiorthoquinone

12-Demethylmultiorthoquinone

C19H18O3 (294.1256)


A diterpenoid that is multiorthoquinone in which the methoxy group at position 12 is replaced by a hydroxy group. A norabietane derivative, it is isolated from Salvia multicaulis and exhibits antitubercular activity.

   
   
   

Magnaldehyde B

Magnaldehyde B

C19H18O3 (294.1256)


   

10-cinnamoyl-8,9-dehydrothymol

10-cinnamoyl-8,9-dehydrothymol

C19H18O3 (294.1256)


   

4-(7-methoxy-3-methyl-5-prop-1-enyl-1-benzofuran-2-yl)phenol

4-(7-methoxy-3-methyl-5-prop-1-enyl-1-benzofuran-2-yl)phenol

C19H18O3 (294.1256)


   

1-phenyl-7-(3,4-dihydroxyphenyl)-hepta-1,3-dien-5-one

1-phenyl-7-(3,4-dihydroxyphenyl)-hepta-1,3-dien-5-one

C19H18O3 (294.1256)


   

Aspartame

Aspartame

C14H18N2O5 (294.1216)


D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; IAOZJIPTCAWIRG-QWRGUYRKSA-N_STSL_0231_Aspartame_0031fmol_190114_S2_LC02MS02_038; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. CONFIDENCE standard compound; INTERNAL_ID 5809 Aspartame (SC-18862) is a methyl ester of a dipeptide. Aspartame can be used as a synthetic nonnutritive sweetener[1][2].

   

TANSHINONE IIA

NCGC00095709-02!TANSHINONE IIA

C19H18O3 (294.1256)


   

(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one

NCGC00336197-02!(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one

C19H18O3 (294.1256)


   

1,2-Didehydrocryptotanshinone

1,2-Didehydrocryptotanshinone

C19H18O3 (294.1256)


   

C19H18O3_Phenol, 2-methoxy-4-[3-methyl-5-[(1E)-1-propen-1-yl]-2-benzofuranyl]

NCGC00385078-01_C19H18O3_Phenol, 2-methoxy-4-[3-methyl-5-[(1E)-1-propen-1-yl]-2-benzofuranyl]-

C19H18O3 (294.1256)


   

eupomatenoid 5

eupomatenoid 5

C19H18O3 (294.1256)


   

(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one

(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one

C19H18O3 (294.1256)


   

Dicarboxyl-2Et-A4EO3

Dicarboxyl-2Et-A4EO3

C12H22O8 (294.1315)


Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); Could be alkyl homologue of given structure; Digitised from figure: approximate intensities

   

Musk ketone

4'-Tert-butyl-2',6'-dimethyl-3',5'-dinitro-Acetophenone

C14H18N2O5 (294.1216)


D000970 - Antineoplastic Agents CONFIDENCE standard compound; INTERNAL_ID 2455 Musk ketone is a widely used artificial fragrance. Musk ketone is also a cytochrome P450 enzyme inducer. Musk ketone shows mutagenic and comutagenic effects in Hep G2 cells and induces neural stem cell proliferation and differentiation in cerebral ischemia via activation of the PI3K/Akt signaling pathway. In the brain, musk ketone is neuroprotective against stroke injury through inhibition of cell apoptosis[1][2][3]. Musk ketone (MK) is a widely used artificial fragrance. Musk ketone shows mutagenic and comutagenic effects in Hep G2 cells and induces neural stem cell proliferation and differentiation in cerebral ischemia via activation of the PI3K/Akt signaling pathway. In the brain, musk ketone is neuroprotective against stroke injury through inhibition of cell apoptosis[1][2][3].

   

Glutamylphenylalanine

Glutamylphenylalanine

C14H18N2O5 (294.1216)


Annotation level-3

   

Glutamylphenylalanine (isomer of 1504)

Glutamylphenylalanine (isomer of 1504)

C14H18N2O5 (294.1216)


Annotation level-3

   

Glutamylphenylalanine (isomer of 1503)

Glutamylphenylalanine (isomer of 1503)

C14H18N2O5 (294.1216)


Annotation level-3

   

Tanshinone II

Tanshinone IIA

C19H18O3 (294.1256)


D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents Origin: Plant; SubCategory_DNP: Diterpenoids, Abietane diterpenoids D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D000925 - Anticoagulants D000893 - Anti-Inflammatory Agents D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents

   

(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one [IIN-based on: CCMSLIB00000847435]

NCGC00336197-02!(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one [IIN-based on: CCMSLIB00000847435]

C19H18O3 (294.1256)


   

(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one [IIN-based: Match]

NCGC00336197-02!(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one [IIN-based: Match]

C19H18O3 (294.1256)


   

Aspartame; LC-tDDA; CE10

Aspartame; LC-tDDA; CE10

C14H18N2O5 (294.1216)


   

Aspartame; LC-tDDA; CE20

Aspartame; LC-tDDA; CE20

C14H18N2O5 (294.1216)


   

Aspartame; LC-tDDA; CE30

Aspartame; LC-tDDA; CE30

C14H18N2O5 (294.1216)


   

Aspartame; LC-tDDA; CE40

Aspartame; LC-tDDA; CE40

C14H18N2O5 (294.1216)


   

N6-(1-Methoxy-3-indolylmethyl)-adenine

N6-(1-Methoxy-3-indolylmethyl)-adenine

C15H14N6O1 (294.1229)


   

Tanshinone Iia_major

Tanshinone Iia_major

C19H18O3 (294.1256)


   

Tanshinone Iia_33.0\\%

Tanshinone Iia_33.0\\%

C19H18O3 (294.1256)


   

(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one_major

(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one_major

C19H18O3 (294.1256)


   
   
   

Hpro-tyr

1-[2-amino-3-(4-hydroxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C14H18N2O5 (294.1216)


   

Tyr-hpro

3-(4-hydroxyphenyl)-2-[(4-hydroxypyrrolidin-2-yl)formamido]propanoic acid

C14H18N2O5 (294.1216)


   

N-gamma-L-Glutamyl-L-phenylalanine

(S)-2-Amino-5-(((S)-1-carboxy-2-phenylethyl)amino)-5-oxopentanoic acid

C14H18N2O5 (294.1216)


   

Ethyl (S)-3-hydroxybutyrate glucoside

ethyl 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoate

C12H22O8 (294.1315)


   

(E)-1-[4-Hydroxy-3-(3-methyl-1,3-butadienyl)phenyl]-2-(3,5-dihydroxyphenyl)ethylene

5-[(Z)-2-{4-hydroxy-3-[(1Z)-3-methylbuta-1,3-dien-1-yl]phenyl}ethenyl]benzene-1,3-diol

C19H18O3 (294.1256)


   

L-gamma-Glutamyl-beta-phenyl-beta-L-alanine

2-amino-4-[(2-carboxy-1-phenylethyl)carbamoyl]butanoic acid

C14H18N2O5 (294.1216)


   

1-Methoxy-4-[5-(4-methoxyphenoxy)-3-penten-1-ynyl]benzene

1-methoxy-4-[(3Z)-5-(4-methoxyphenoxy)pent-3-en-1-yn-1-yl]benzene

C19H18O3 (294.1256)


   

Ethyl 3-O-beta-D-glucopyranosyl-butanoate

Ethyl 3-O-beta-D-glucopyranosyl-butanoate

C12H22O8 (294.1315)


   

6,7-Bis(2-methoxyethoxy)-4(1H)-quinazolinone

6,7-Bis(2-methoxyethoxy)-4(1H)-quinazolinone

C14H18N2O5 (294.1216)


   

3-pyridineacetic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-a-oxo-, ethyl ester

3-pyridineacetic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-a-oxo-, ethyl ester

C14H18N2O5 (294.1216)


   

1,4-bis(tert-butoxy)tetrafluorobenzene

1,4-bis(tert-butoxy)tetrafluorobenzene

C14H18F4O2 (294.1243)


   

1,5-Bis(p-methoxyphenyl)-3-pentadienone

(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one

C19H18O3 (294.1256)


   

ethyl 4-[(4-ethoxy-4-oxobutanoyl)amino]pyridine-3-carboxylate

ethyl 4-[(4-ethoxy-4-oxobutanoyl)amino]pyridine-3-carboxylate

C14H18N2O5 (294.1216)


   

N-Cbz-glycine Ethyl Ester

N-Cbz-glycine Ethyl Ester

C14H18N2O5 (294.1216)


   

Ethanedioic acid,1,2-bis[2-(phenylmethylene)hydrazide]

Ethanedioic acid,1,2-bis[2-(phenylmethylene)hydrazide]

C16H14N4O2 (294.1117)


   

1,2:5,6-di-o-isopropylidene-alpha-d-ribo-3-hexofuranose-3-ulose monohydrate

1,2:5,6-di-o-isopropylidene-alpha-d-ribo-3-hexofuranose-3-ulose monohydrate

C12H22O8 (294.1315)


   

(1E,4E)-1,5-bis(3-methoxyphenyl)penta-1,4-dien-3-one

(1E,4E)-1,5-bis(3-methoxyphenyl)penta-1,4-dien-3-one

C19H18O3 (294.1256)


   

Benzyltriphenylphosphonium hydroxide

Benzyltriphenylphosphonium hydroxide

C19H19OP (294.1173)


   

β-Aspartame

Beta-Aspartame

C14H18N2O5 (294.1216)


   

(2-AMINO-THIAZOL-5-YL)-ACETICACIDMETHYLESTER

(2-AMINO-THIAZOL-5-YL)-ACETICACIDMETHYLESTER

C14H18N2O5 (294.1216)


   

n-acetyl-5-methoxy-dl-tryptophan monohydrate

n-acetyl-5-methoxy-dl-tryptophan monohydrate

C14H18N2O5 (294.1216)


   

bis(3-methoxybutyl) peroxydicarbonate

bis(3-methoxybutyl) peroxydicarbonate

C12H22O8 (294.1315)


   

(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one

(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one

C14H19ClN4O (294.1247)


   
   

1,5-DIPHENYL-4-ETHYL-3-METHYLTHIO-1H-PYRAZOLE

1,5-DIPHENYL-4-ETHYL-3-METHYLTHIO-1H-PYRAZOLE

C18H18N2S (294.1191)


   

8-Benzyl-2,8-diazaspiro[4.5]decane-1,3-dione hydrochloride (1:1)

8-Benzyl-2,8-diazaspiro[4.5]decane-1,3-dione hydrochloride (1:1)

C15H19ClN2O2 (294.1135)


   

2-Benzyl-2,8-diazaspiro[4.5]decane-1,3-dione hydrochloride (1:1)

2-Benzyl-2,8-diazaspiro[4.5]decane-1,3-dione hydrochloride (1:1)

C15H19ClN2O2 (294.1135)


   

1,2-Ethanediol,1,2-bis(1H-benzimidazol-2-yl)-

1,2-Ethanediol,1,2-bis(1H-benzimidazol-2-yl)-

C16H14N4O2 (294.1117)


   

3a,6a-Diphenylglycouril

3a,6a-Diphenylglycouril

C16H14N4O2 (294.1117)


   

2-hydroxyphenylcyclopropyl ketone

2-hydroxyphenylcyclopropyl ketone

C19H18O3 (294.1256)


   

1,2-Bis-O-(2-oxiranylmethyl)-D-glucitol

1,2-Bis-O-(2-oxiranylmethyl)-D-glucitol

C12H22O8 (294.1315)


   

2-[(6-METHOXYPYRIDIN-3-YLAMINO)METHYLENE]MALONIC ACID DIETHYL ESTER

2-[(6-METHOXYPYRIDIN-3-YLAMINO)METHYLENE]MALONIC ACID DIETHYL ESTER

C14H18N2O5 (294.1216)


   

METHYL 4,4-DIPHENYL-2-OXOCYCLOPENTANECARBOXYLATE

METHYL 4,4-DIPHENYL-2-OXOCYCLOPENTANECARBOXYLATE

C19H18O3 (294.1256)


   

6-METHOXY-7-(2-(2-METHOXYETHOXY)ETHOXY)QUINAZOLIN-4(3H)-ONE

6-METHOXY-7-(2-(2-METHOXYETHOXY)ETHOXY)QUINAZOLIN-4(3H)-ONE

C14H18N2O5 (294.1216)


   

Methyl (2Z)-3-methoxy-2-{2-[(E)-2-phenylvinyl]phenyl}acrylate

Methyl (2Z)-3-methoxy-2-{2-[(E)-2-phenylvinyl]phenyl}acrylate

C19H18O3 (294.1256)


   

Kelatorphan

Kelatorphan

C14H18N2O5 (294.1216)


D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics

   

Alethine

Alethine

C10H22N4O2S2 (294.1184)


C308 - Immunotherapeutic Agent > C2139 - Immunostimulant

   

Fatostatin

Fatostatin

C18H18N2S (294.1191)


Fatostatin (125B11), a specific inhibitor of SREBP activation, impairs the activation of SREBP-1 and SREBP-2. Fatostatin binds to SCAP (SREBP cleavage-activating protein), and inhibits the ER-Golgi translocation of SREBPs. Fatostatin decreases the transcription of lipogenic genes in cells. Fatostatin possesses antitumor properties, and lowers hyperglycemia in ob/ob mice[1][2].

   

1,7-Bis(4-hydroxyphenyl)hepta-4,6-dien-3-one

1,7-Bis(4-hydroxyphenyl)hepta-4,6-dien-3-one

C19H18O3 (294.1256)


   

4-(4-methylphenyl)-1-(3-nitrophenyl)-1H-pyrazol-5-amine

4-(4-methylphenyl)-1-(3-nitrophenyl)-1H-pyrazol-5-amine

C16H14N4O2 (294.1117)


   

4-(3-methylphenyl)-1-(3-nitrophenyl)-1H-pyrazol-5-amine

4-(3-methylphenyl)-1-(3-nitrophenyl)-1H-pyrazol-5-amine

C16H14N4O2 (294.1117)


   

2,6-Bis(4-pyridylethynyl)toluene

2,6-Bis(4-pyridylethynyl)toluene

C21H14N2 (294.1157)


   

2-(beta-D-Glucopyranosyl)-5-methyl-1,2,3-benzimidazole

2-(beta-D-Glucopyranosyl)-5-methyl-1,2,3-benzimidazole

C14H18N2O5 (294.1216)


   

Lidofenin

N-(2,6-Dimethylphenylcarbamoylmethyl)iminodiacetic Acid

C14H18N2O5 (294.1216)


   

Tanshinon II

Phenanthro[1,2-b]furan-10,11-dione, 6,7,8,9-tetrahydro-1,6,6-trimethyl-

C19H18O3 (294.1256)


D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D000925 - Anticoagulants D000893 - Anti-Inflammatory Agents D000890 - Anti-Infective Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents

   

2-[(2-Amino-3-phenylpropanoyl)amino]pentanedioic acid

2-[(2-Amino-3-phenylpropanoyl)amino]pentanedioic acid

C14H18N2O5 (294.1216)


   

ethyl 3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate

ethyl 3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate

C12H22O8 (294.1315)


   

Aspartame zwitterion

Aspartame zwitterion

C14H18N2O5 (294.1216)


   

(4E,6E)-1-(3,4-dihydroxyphenyl)-7-phenylhepta-4,6-dien-3-one

(4E,6E)-1-(3,4-dihydroxyphenyl)-7-phenylhepta-4,6-dien-3-one

C19H18O3 (294.1256)


   

Tyrosylhydroxyproline

Tyrosylhydroxyproline

C14H18N2O5 (294.1216)


   

4-Methoxymagnaldehyde B

4-Methoxymagnaldehyde B

C19H18O3 (294.1256)


A lignan that consists of cinnamaldehyde substituted by a methoxy group at position 2 and a 4-allylphenolic group at position 5. Isolated from Magnolia obovata, it exhibits antineoplastic activity.

   

9-(1H-indol-3-yl)acridine

9-(1H-indol-3-yl)acridine

C21H14N2 (294.1157)


   

(5-Amino-3-phenyl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone

(5-Amino-3-phenyl-1,2,4-triazol-1-yl)-(2-methoxyphenyl)methanone

C16H14N4O2 (294.1117)


   

2-(5-phenyl-1H-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

2-(5-phenyl-1H-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

C16H14N4O2 (294.1117)


   

N-(2-furanylmethyl)-8-methoxy-5H-pyrimido[5,4-b]indol-4-amine

N-(2-furanylmethyl)-8-methoxy-5H-pyrimido[5,4-b]indol-4-amine

C16H14N4O2 (294.1117)


   

2-(5-hydroxy-1H-pyrazol-3-yl)-N-[(1E)-1-naphthylmethylene]acetohydrazide

2-(5-hydroxy-1H-pyrazol-3-yl)-N-[(1E)-1-naphthylmethylene]acetohydrazide

C16H14N4O2 (294.1117)


   

1-[(E)-(2-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine

1-[(E)-(2-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine

C15H14N6O (294.1229)


   

Methyl 4-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzoate

Methyl 4-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzoate

C16H14N4O2 (294.1117)


   

(E)-7-(4-hydroxyphenyl)-1-phenylhept-1-ene-3,5-dione

(E)-7-(4-hydroxyphenyl)-1-phenylhept-1-ene-3,5-dione

C19H18O3 (294.1256)


   

2-[(3S)-1-Benzyl-3-pyrrolidinyl]-1,3-benzothiazole

2-[(3S)-1-Benzyl-3-pyrrolidinyl]-1,3-benzothiazole

C18H18N2S (294.1191)


   

2-[(2R,5R,6S)-6-(hydroxymethyl)-5-(pyridine-4-carbonylamino)oxan-2-yl]acetic acid

2-[(2R,5R,6S)-6-(hydroxymethyl)-5-(pyridine-4-carbonylamino)oxan-2-yl]acetic acid

C14H18N2O5 (294.1216)


   

2-[(2S,5R,6S)-6-(hydroxymethyl)-5-(pyridine-4-carbonylamino)oxan-2-yl]acetic acid

2-[(2S,5R,6S)-6-(hydroxymethyl)-5-(pyridine-4-carbonylamino)oxan-2-yl]acetic acid

C14H18N2O5 (294.1216)


   

2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[oxo(pyridin-4-yl)methyl]amino]-2-oxanyl]acetic acid

2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[oxo(pyridin-4-yl)methyl]amino]-2-oxanyl]acetic acid

C14H18N2O5 (294.1216)


   

2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[oxo(pyridin-4-yl)methyl]amino]-2-oxanyl]acetic acid

2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[oxo(pyridin-4-yl)methyl]amino]-2-oxanyl]acetic acid

C14H18N2O5 (294.1216)


   

2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[oxo(pyridin-4-yl)methyl]amino]-2-oxanyl]acetic acid

2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[oxo(pyridin-4-yl)methyl]amino]-2-oxanyl]acetic acid

C14H18N2O5 (294.1216)


   

2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[oxo(pyridin-4-yl)methyl]amino]-2-oxanyl]acetic acid

2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[oxo(pyridin-4-yl)methyl]amino]-2-oxanyl]acetic acid

C14H18N2O5 (294.1216)


   
   

5-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-[(1E)-3-methylbuta-1,3-dienyl]benzene-1,3-diol

5-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-[(1E)-3-methylbuta-1,3-dienyl]benzene-1,3-diol

C19H18O3 (294.1256)


   

[2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]methylazanium

[2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]methylazanium

C12H16N5O4+ (294.1202)


   

1,7-Diphenyl-5-methyl-6,8-dioxabicyclo(3.2.1)octan-3-one

1,7-Diphenyl-5-methyl-6,8-dioxabicyclo(3.2.1)octan-3-one

C19H18O3 (294.1256)


   

1-(2-Oxopropyl)-3,4-diphenyl-2,5-dioxabicyclo(2.1.1)hexane

1-(2-Oxopropyl)-3,4-diphenyl-2,5-dioxabicyclo(2.1.1)hexane

C19H18O3 (294.1256)


   

gamma-Glu-phe

gamma-Glu-phe

C14H18N2O5 (294.1216)


A dipeptide obtained by formal condensation of the side-chain carboxy group of L-glutamic acid with the amino group of L-phenylalanine.

   

Phe-glu

Phe-glu

C14H18N2O5 (294.1216)


A dipeptide formed from L-phenylalanine and L-glutamic acid residues.

   

Glutamyl-phenylalanine

Glutamyl-phenylalanine

C14H18N2O5 (294.1216)


   

Hydroxyprolyl-Tyrosine

Hydroxyprolyl-Tyrosine

C14H18N2O5 (294.1216)


   

1,7-bis(4-hydroxyphenyl)hepta-4E-6E-dien-3-one

1,7-bis(4-hydroxyphenyl)hepta-4E-6E-dien-3-one

C19H18O3 (294.1256)


A diarylheptanoid that is 4E-6E-dien-3-one substituted by 4-hydroxyphenyl group at positions 1 and 7. It has been isolated from the rhizomes of Curcuma kwangsiensis.

   

3-Amino-4-[(1-benzyl-2-methoxy-2-oxoethyl)amino]-4-oxobutanoic acid

3-Amino-4-[(1-benzyl-2-methoxy-2-oxoethyl)amino]-4-oxobutanoic acid

C14H18N2O5 (294.1216)


D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents

   

(S)-2-Amino-5-(((S)-1-carboxy-2-phenylethyl)amino)-5-oxopentanoic acid

(S)-2-Amino-5-(((S)-1-carboxy-2-phenylethyl)amino)-5-oxopentanoic acid

C14H18N2O5 (294.1216)


   

Tyrosyl-hydroxyproline

Tyrosyl-hydroxyproline

C14H18N2O5 (294.1216)


   

gamma-Glutamylphenylalanine

gamma-Glutamylphenylalanine

C14H18N2O5 (294.1216)


A dipeptide composed of glutamic acid and phenylalanine joined together by a peptide linkage.

   

VU0360172

VU0360172

C18H15FN2O (294.1168)


VU0360172 is a potent and selective mGlu5 receptor positive allosteric modulator with an EC50 value of 16 nM and a Ki of 195 nM, respectively. VU0360172 stimulates polyphosphoinositide (PI) hydrolysis in vivo, which is abrogated in mGlu5 receptors gene deleted mice[1]. VU0360172 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

   

6-(acetyloxy)-1,5-dihydroxy-3,4-dimethoxyhexan-2-yl acetate

6-(acetyloxy)-1,5-dihydroxy-3,4-dimethoxyhexan-2-yl acetate

C12H22O8 (294.1315)


   

(5s,7s,8r)-5,12-dihydroxy-8,13-dimethoxy-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(10),11,13-trien-2-one

(5s,7s,8r)-5,12-dihydroxy-8,13-dimethoxy-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(10),11,13-trien-2-one

C14H18N2O5 (294.1216)


   

(2s)-2-amino-4-{[(1s)-1-carboxy-2-phenylethyl]-c-hydroxycarbonimidoyl}butanoic acid

(2s)-2-amino-4-{[(1s)-1-carboxy-2-phenylethyl]-c-hydroxycarbonimidoyl}butanoic acid

C14H18N2O5 (294.1216)


   

6-(acetyloxy)-3,4-dihydroxy-1,5-dimethoxyhexan-2-yl acetate

6-(acetyloxy)-3,4-dihydroxy-1,5-dimethoxyhexan-2-yl acetate

C12H22O8 (294.1315)


   

(2r)-2-amino-4-{[(1s)-2-carboxy-1-phenylethyl]-c-hydroxycarbonimidoyl}butanoic acid

(2r)-2-amino-4-{[(1s)-2-carboxy-1-phenylethyl]-c-hydroxycarbonimidoyl}butanoic acid

C14H18N2O5 (294.1216)


   

(2s,3r,4r,5s)-6-(acetyloxy)-4,5-dihydroxy-1,3-dimethoxyhexan-2-yl acetate

(2s,3r,4r,5s)-6-(acetyloxy)-4,5-dihydroxy-1,3-dimethoxyhexan-2-yl acetate

C12H22O8 (294.1315)


   

2-({4-[(1-hydroxyethylidene)amino]-3,6-dioxocyclohexa-1,4-dien-1-yl}amino)-3-methylpentanoic acid

2-({4-[(1-hydroxyethylidene)amino]-3,6-dioxocyclohexa-1,4-dien-1-yl}amino)-3-methylpentanoic acid

C14H18N2O5 (294.1216)


   

ethyl (3s)-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoate

ethyl (3s)-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoate

C12H22O8 (294.1315)


   

2-(3-hydroxybutyl)-1-methylanthracene-9,10-dione

2-(3-hydroxybutyl)-1-methylanthracene-9,10-dione

C19H18O3 (294.1256)


   

1,7-bis(4-hydroxyphenyl)hepta-4e,6 e-dien-3-one

NA

C19H18O3 (294.1256)


{"Ingredient_id": "HBIN002007","Ingredient_name": "1,7-bis(4-hydroxyphenyl)hepta-4e,6 e-dien-3-one","Alias": "NA","Ingredient_formula": "C19H18O3","Ingredient_Smile": "C1=CC(=CC=C1CCC(=O)C=CC=CC2=CC=C(C=C2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2468","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

1,7-bis(4-一hydroxyphenyl)-hepta-4E,6E-dien-3-one

NA

C19H18O3 (294.1256)


{"Ingredient_id": "HBIN002008","Ingredient_name": "1,7-bis(4-\u4e00hydroxyphenyl)-hepta-4E,6E-dien-3-one","Alias": "NA","Ingredient_formula": "C19H18O3","Ingredient_Smile": "C1=CC(=CC=C1CCC(=O)C=CC=CC2=CC=C(C=C2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41857","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(2r,3r,4r,5s)-5-(acetyloxy)-4,6-dihydroxy-2,3-dimethoxyhexyl acetate

(2r,3r,4r,5s)-5-(acetyloxy)-4,6-dihydroxy-2,3-dimethoxyhexyl acetate

C12H22O8 (294.1315)


   

(2s,3r,4r,5s)-6-(acetyloxy)-1,5-dihydroxy-3,4-dimethoxyhexan-2-yl acetate

(2s,3r,4r,5s)-6-(acetyloxy)-1,5-dihydroxy-3,4-dimethoxyhexan-2-yl acetate

C12H22O8 (294.1315)


   

2-methoxy-4-[3-methyl-5-(prop-1-en-1-yl)-1-benzofuran-2-yl]phenol

2-methoxy-4-[3-methyl-5-(prop-1-en-1-yl)-1-benzofuran-2-yl]phenol

C19H18O3 (294.1256)


   

6-[(1e,3e,5e)-3-ethyl-6-(4-hydroxyphenyl)hexa-1,3,5-trien-1-yl]pyran-2-one

6-[(1e,3e,5e)-3-ethyl-6-(4-hydroxyphenyl)hexa-1,3,5-trien-1-yl]pyran-2-one

C19H18O3 (294.1256)


   

5-[(4-hydroxyphenyl)methyl]-6-methyl-2h-[1,3]dioxolo[4,5-g]isoquinolin-6-ium

5-[(4-hydroxyphenyl)methyl]-6-methyl-2h-[1,3]dioxolo[4,5-g]isoquinolin-6-ium

[C18H16NO3]+ (294.113)


   

2-(2-hydroxy-4-methylphenyl)prop-2-en-1-yl (2e)-3-phenylprop-2-enoate

2-(2-hydroxy-4-methylphenyl)prop-2-en-1-yl (2e)-3-phenylprop-2-enoate

C19H18O3 (294.1256)


   

4-{7-methoxy-3-methyl-5-[(1e)-prop-1-en-1-yl]-1-benzofuran-2-yl}phenol

4-{7-methoxy-3-methyl-5-[(1e)-prop-1-en-1-yl]-1-benzofuran-2-yl}phenol

C19H18O3 (294.1256)


   

(2s)-2-({4-[(1-hydroxyethylidene)amino]-3,6-dioxocyclohexa-1,4-dien-1-yl}amino)-4-methylpentanoic acid

(2s)-2-({4-[(1-hydroxyethylidene)amino]-3,6-dioxocyclohexa-1,4-dien-1-yl}amino)-4-methylpentanoic acid

C14H18N2O5 (294.1216)


   

5-[3-methyl-5-(prop-1-en-1-yl)-2,3-dihydro-1-benzofuran-2-yl]-2h-1,3-benzodioxole

5-[3-methyl-5-(prop-1-en-1-yl)-2,3-dihydro-1-benzofuran-2-yl]-2h-1,3-benzodioxole

C19H18O3 (294.1256)


   

(10e)-3,17-dihydroxytricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,10,14,16-heptaen-9-one

(10e)-3,17-dihydroxytricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,10,14,16-heptaen-9-one

C19H18O3 (294.1256)


   

1-methoxy-4-[(3e)-5-(4-methoxyphenoxy)pent-3-en-1-yn-1-yl]benzene

1-methoxy-4-[(3e)-5-(4-methoxyphenoxy)pent-3-en-1-yn-1-yl]benzene

C19H18O3 (294.1256)


   

2-(2,4-dimethoxyphenyl)-5-[(1e)-prop-1-en-1-yl]-1-benzofuran

2-(2,4-dimethoxyphenyl)-5-[(1e)-prop-1-en-1-yl]-1-benzofuran

C19H18O3 (294.1256)


   

(2s,3s,4s,5s)-6-(acetyloxy)-3,4-dihydroxy-1,5-dimethoxyhexan-2-yl acetate

(2s,3s,4s,5s)-6-(acetyloxy)-3,4-dihydroxy-1,5-dimethoxyhexan-2-yl acetate

C12H22O8 (294.1315)


   

tricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,9,11,14,16-octaene-3,8,17-triol

tricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,9,11,14,16-octaene-3,8,17-triol

C19H18O3 (294.1256)


   

(2r,3r,4r,5s,6r)-2-{[(2r,3s,6r)-6-hydroxy-2-methyloxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2r,3r,4r,5s,6r)-2-{[(2r,3s,6r)-6-hydroxy-2-methyloxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C12H22O8 (294.1315)


   

6-(acetyloxy)-1,3-dihydroxy-4,5-dimethoxyhexan-2-yl acetate

6-(acetyloxy)-1,3-dihydroxy-4,5-dimethoxyhexan-2-yl acetate

C12H22O8 (294.1315)


   

(2e)-3-[6-hydroxy-4'-methoxy-3'-(prop-2-en-1-yl)-[1,1'-biphenyl]-3-yl]prop-2-enal

(2e)-3-[6-hydroxy-4'-methoxy-3'-(prop-2-en-1-yl)-[1,1'-biphenyl]-3-yl]prop-2-enal

C19H18O3 (294.1256)


   

4-hydroxy-3-methoxy-2,5-diphenylcyclohex-2-en-1-one

4-hydroxy-3-methoxy-2,5-diphenylcyclohex-2-en-1-one

C19H18O3 (294.1256)


   

1-methoxy-4-[5-(4-methoxyphenoxy)pent-3-en-1-yn-1-yl]benzene

1-methoxy-4-[5-(4-methoxyphenoxy)pent-3-en-1-yn-1-yl]benzene

C19H18O3 (294.1256)


   

2-[(6-hydroxy-2-methyloxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[(6-hydroxy-2-methyloxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C12H22O8 (294.1315)


   

2-({4-[(1-hydroxyethylidene)amino]-3,6-dioxocyclohexa-1,4-dien-1-yl}amino)-4-methylpentanoic acid

2-({4-[(1-hydroxyethylidene)amino]-3,6-dioxocyclohexa-1,4-dien-1-yl}amino)-4-methylpentanoic acid

C14H18N2O5 (294.1216)


   

5-[(1e)-2-{4-hydroxy-3-[(1e)-3-methylbuta-1,3-dien-1-yl]phenyl}ethenyl]benzene-1,3-diol

5-[(1e)-2-{4-hydroxy-3-[(1e)-3-methylbuta-1,3-dien-1-yl]phenyl}ethenyl]benzene-1,3-diol

C19H18O3 (294.1256)


   

2-(2,4-dimethoxyphenyl)-5-(prop-1-en-1-yl)-1-benzofuran

2-(2,4-dimethoxyphenyl)-5-(prop-1-en-1-yl)-1-benzofuran

C19H18O3 (294.1256)


   

2-[(3r)-3-hydroxybutyl]-1-methylanthracene-9,10-dione

2-[(3r)-3-hydroxybutyl]-1-methylanthracene-9,10-dione

C19H18O3 (294.1256)


   

4-[7-methoxy-3-methyl-5-(prop-1-en-1-yl)-1-benzofuran-2-yl]phenol

4-[7-methoxy-3-methyl-5-(prop-1-en-1-yl)-1-benzofuran-2-yl]phenol

C19H18O3 (294.1256)


   

6-[3-ethyl-6-(4-hydroxyphenyl)hexa-1,3,5-trien-1-yl]pyran-2-one

6-[3-ethyl-6-(4-hydroxyphenyl)hexa-1,3,5-trien-1-yl]pyran-2-one

C19H18O3 (294.1256)


   

(2s)-2-({4-[(1-hydroxyethylidene)amino]-3,6-dioxocyclohexa-1,4-dien-1-yl}amino)-3-methylpentanoic acid

(2s)-2-({4-[(1-hydroxyethylidene)amino]-3,6-dioxocyclohexa-1,4-dien-1-yl}amino)-3-methylpentanoic acid

C14H18N2O5 (294.1216)


   

2-amino-4-[(1-carboxy-2-phenylethyl)-c-hydroxycarbonimidoyl]butanoic acid

2-amino-4-[(1-carboxy-2-phenylethyl)-c-hydroxycarbonimidoyl]butanoic acid

C14H18N2O5 (294.1216)


   

5-[(2r,3r)-3-methyl-5-[(1e)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl]-2h-1,3-benzodioxole

5-[(2r,3r)-3-methyl-5-[(1e)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl]-2h-1,3-benzodioxole

C19H18O3 (294.1256)


   

(4e,6e)-1,7-bis(4-hydroxyphenyl)hepta-4,6-dien-3-one

(4e,6e)-1,7-bis(4-hydroxyphenyl)hepta-4,6-dien-3-one

C19H18O3 (294.1256)


   

(2r,3r,4s,5s)-5-(acetyloxy)-3,6-dihydroxy-2,4-dimethoxyhexyl acetate

(2r,3r,4s,5s)-5-(acetyloxy)-3,6-dihydroxy-2,4-dimethoxyhexyl acetate

C12H22O8 (294.1315)


   

(2s,3r,4r,5s)-6-(acetyloxy)-3,5-dihydroxy-1,4-dimethoxyhexan-2-yl acetate

(2s,3r,4r,5s)-6-(acetyloxy)-3,5-dihydroxy-1,4-dimethoxyhexan-2-yl acetate

C12H22O8 (294.1315)


   

2-methoxy-4-{3-methyl-5-[(1e)-prop-1-en-1-yl]-1-benzofuran-2-yl}phenol

2-methoxy-4-{3-methyl-5-[(1e)-prop-1-en-1-yl]-1-benzofuran-2-yl}phenol

C19H18O3 (294.1256)


   

2-(2-hydroxy-4-methylphenyl)prop-2-en-1-yl 3-phenylprop-2-enoate

2-(2-hydroxy-4-methylphenyl)prop-2-en-1-yl 3-phenylprop-2-enoate

C19H18O3 (294.1256)


   

(8s,9z,11e)-tricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,9,11,14,16-octaene-3,8,17-triol

(8s,9z,11e)-tricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,9,11,14,16-octaene-3,8,17-triol

C19H18O3 (294.1256)


   

4-{n-[(1s)-1-carboxy-2-phenylethyl]-(c-hydroxycarbonimidoyl)amino}butanoic acid

4-{n-[(1s)-1-carboxy-2-phenylethyl]-(c-hydroxycarbonimidoyl)amino}butanoic acid

C14H18N2O5 (294.1216)


   

5-{2-[4-hydroxy-3-(3-methylbuta-1,3-dien-1-yl)phenyl]ethenyl}benzene-1,3-diol

5-{2-[4-hydroxy-3-(3-methylbuta-1,3-dien-1-yl)phenyl]ethenyl}benzene-1,3-diol

C19H18O3 (294.1256)


   

6-(acetyloxy)-3,5-dihydroxy-1,4-dimethoxyhexan-2-yl acetate

6-(acetyloxy)-3,5-dihydroxy-1,4-dimethoxyhexan-2-yl acetate

C12H22O8 (294.1315)


   

6-(acetyloxy)-4,5-dihydroxy-1,3-dimethoxyhexan-2-yl acetate

6-(acetyloxy)-4,5-dihydroxy-1,3-dimethoxyhexan-2-yl acetate

C12H22O8 (294.1315)


   

4,4,8-trimethyl-1h,2h,3h-phenanthro[3,2-b]furan-7,11-dione

4,4,8-trimethyl-1h,2h,3h-phenanthro[3,2-b]furan-7,11-dione

C19H18O3 (294.1256)


   

2-amino-4-[(2-carboxy-1-phenylethyl)-c-hydroxycarbonimidoyl]butanoic acid

2-amino-4-[(2-carboxy-1-phenylethyl)-c-hydroxycarbonimidoyl]butanoic acid

C14H18N2O5 (294.1216)


   

3,17-dihydroxytricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,10,14,16-heptaen-9-one

3,17-dihydroxytricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,10,14,16-heptaen-9-one

C19H18O3 (294.1256)


   

2-[(3s)-3-hydroxybutyl]-1-methylanthracene-9,10-dione

2-[(3s)-3-hydroxybutyl]-1-methylanthracene-9,10-dione

C19H18O3 (294.1256)


   

6-(acetyloxy)-1,4-dihydroxy-3,5-dimethoxyhexan-2-yl acetate

6-(acetyloxy)-1,4-dihydroxy-3,5-dimethoxyhexan-2-yl acetate

C12H22O8 (294.1315)


   

7-isopropyl-1,1-dimethylphenanthrene-2,5,6-trione

7-isopropyl-1,1-dimethylphenanthrene-2,5,6-trione

C19H18O3 (294.1256)