Exact Mass: 328.135775

Exact Mass Matches: 328.135775

Found 271 metabolites which its exact mass value is equals to given mass value 328.135775, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Decursin

CROTONIC ACID, 3-METHYL-, ESTER WITH 7,8-DIHYDRO-7-HYDROXY-8,8-DIMETHYL-2H,6H-BENZO(1,2-B:5,4-B)DIPYRAN-2-ONE, (+)-

C19H20O5 (328.13106700000003)


Decursin is a member of coumarins. Decursin is a natural product found in Scutellaria lateriflora, Angelica glauca, and other organisms with data available. See also: Angelica gigas root (part of). D020536 - Enzyme Activators Decursinol angelate is a natural product found in Angelica glauca and Angelica gigas with data available. See also: Angelica gigas root (part of). Decursin ((+)-Decursin) is a potent anti-tumor agent. Decursin also is a cytotoxic agent and a potent protein kinase C activator. Decursin induces apoptosis and cell cycle arrest at G1 phase. Decursin decreases the expression of CDK2, CDK4, CDK6, cyclin D1 protein at 48 h. Decursin inhibits cell proliferation and migration. Decursin shows anti-tumor, anti-inflammatory and analgesic activities[1][2][3][4]. Decursin ((+)-Decursin) is a potent anti-tumor agent. Decursin also is a cytotoxic agent and a potent protein kinase C activator. Decursin induces apoptosis and cell cycle arrest at G1 phase. Decursin decreases the expression of CDK2, CDK4, CDK6, cyclin D1 protein at 48 h. Decursin inhibits cell proliferation and migration. Decursin shows anti-tumor, anti-inflammatory and analgesic activities[1][2][3][4]. Decursinol angelate, a cytotoxic and protein kinase C (PKC) activating agent from the root of Angelica gigas, possesses anti-tumor and anti-inflammatory activities[1][2].

   

Pencycuron

Pencycuron

C19H21ClN2O (328.1342326)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 3064

   

Deltoin

(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid

C19H20O5 (328.13106700000003)


D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins

   

(2S)-4-{[(1R)-1-Carboxy-2-(1H-imidazol-4-yl)ethyl]amino}-2-[(1-carboxyethyl)amino]butanoate

(2S)-4-{[(1R)-1-Carboxy-2-(1H-imidazol-4-yl)ethyl]amino}-2-[(1-carboxyethyl)amino]butanoate

C13H20N4O6 (328.138278)


   

Tiapride

N-[2-(diethylamino)ethyl]-5-methanesulfonyl-2-methoxybenzene-1-carboximidic acid

C15H24N2O4S (328.14567040000003)


Tiapride is a benzamide derivative with dopamine antagonist actions similar to sulpiride. It has been used as an antipsychotic and in the treatment of various movement disorders and alcoholism. D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AL - Benzamides C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist

   

Acutilobin

5,5-dimethyl-13-oxo-4,14-dioxatricyclo[8.4.0.0^{3,8}]tetradeca-1,3(8),9,11-tetraen-6-yl (2Z)-2-methylbut-2-enoate

C19H20O5 (328.13106700000003)


Acutilobin is found in green vegetables. Acutilobin is a constituent of Angelica acutiloba (Dong Dang Gui). Constituent of Angelica acutiloba (Dong Dang Gui). Acutilobin is found in green vegetables. Decursinol angelate, a cytotoxic and protein kinase C (PKC) activating agent from the root of Angelica gigas, possesses anti-tumor and anti-inflammatory activities[1][2].

   

Phenylalanyltyrosine

(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C18H20N2O4 (328.14230000000003)


Phenylalanyltyrosine is a dipeptide composed of phenylalanine and tyrosine. 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.

   

Tyrosyl-Phenylalanine

2-{[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-3-phenylpropanoate

C18H20N2O4 (328.14230000000003)


Tyrosyl-Phenylalanine is a dipeptide composed of tyrosine and phenylalanine. 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.

   

Dictyoquinazol B

3-[2-(hydroxymethyl)-4-methoxyphenyl]-6-methoxy-1,2,3,4-tetrahydroquinazoline-1-carbaldehyde

C18H20N2O4 (328.14230000000003)


Dictyoquinazol B is found in mushrooms. Dictyoquinazol B is an alkaloid from Dictyophora indusiata. Alkaloid from Dictyophora indusiata. Dictyoquinazol B is found in mushrooms.

   

7-hydroxyolanzapine

5-methyl-8-(4-methylpiperazin-1-yl)-4-thia-2,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(10),3(7),5,8,11,13-hexaen-12-ol

C17H20N4OS (328.135775)


7-hydroxyolanzapine is a metabolite of olanzapine. Olanzapine (trade name Zyprexa or in combination with fluoxetine Symbyax) is an atypical antipsychotic, approved by the FDA for the treatment of schizophrenia and bipolar disorder. Olanzapine is structurally similar to clozapine, but is classified as a thienobenzodiazepine. The olanzapine formulations are manufactured and marketed by the pharmaceutical company Eli Lilly and Company; the drug went generic in 2011. Sales of Zyprexa in 2008 were $2.2B in the US alone, and $4.7B in total. (Wikipedia)

   

2-hydroxymethylolanzapine

[8-(4-methylpiperazin-1-yl)-4-thia-2,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),3(7),5,8,10,12-hexaen-5-yl]methanol

C17H20N4OS (328.135775)


2-hydroxymethylolanzapine is a metabolite of olanzapine. Olanzapine (trade name Zyprexa or in combination with fluoxetine Symbyax) is an atypical antipsychotic, approved by the FDA for the treatment of schizophrenia and bipolar disorder. Olanzapine is structurally similar to clozapine, but is classified as a thienobenzodiazepine. The olanzapine formulations are manufactured and marketed by the pharmaceutical company Eli Lilly and Company; the drug went generic in 2011. Sales of Zyprexa in 2008 were $2.2B in the US alone, and $4.7B in total. (Wikipedia)

   

Columbianadin

2-[(8S)-2-oxo-8,9-Dihydrofuro[2,3-H]chromen-8-yl]propan-2-yl (Z)-2-methylbut-2-enoic acid

C19H20O5 (328.13106700000003)


   

Decursin

5,5-dimethyl-13-oxo-4,14-dioxatricyclo[8.4.0.0³,⁸]tetradeca-1(10),2,8,11-tetraen-6-yl 3-methylbut-2-enoate

C19H20O5 (328.13106700000003)


   

Decursinol angelate

5,5-dimethyl-13-oxo-4,14-dioxatricyclo[8.4.0.0³,⁸]tetradeca-1(10),2,8,11-tetraen-6-yl 2-methylbut-2-enoate

C19H20O5 (328.13106700000003)


   

Bis(3-methoxysalicylidene)ethylenediamine

2-{[(2-{[(2-hydroxy-3-methoxyphenyl)methylidene]amino}ethyl)imino]methyl}-6-methoxyphenol

C18H20N2O4 (328.14230000000003)


   

GUAIANOLIDE

6,9-Dimethyl-3-methylidene-2,7-dioxo-2H,3H,3ah,4H,5H,7H,9ah,9BH-azuleno[4,5-b]furan-4-yl 2-methylprop-2-enoic acid

C19H20O5 (328.13106700000003)


   

Phe-Tyr

2-[(2-Amino-1-hydroxy-3-phenylpropylidene)amino]-3-(4-hydroxyphenyl)propanoate

C18H20N2O4 (328.14230000000003)


   

PZXDYQVSAFZTBI-UHFFFAOYSA-N

N-(4-chlorophenyl)-2-phenyl-N-(piperidin-4-yl)acetamide

C19H21ClN2O (328.1342326)


   

(2S)-2-Amino-3-[4-[(2S)-2-amino-3-phenylpropanoyl]oxyphenyl]propanoic acid

(2S)-2-Amino-3-[4-[(2S)-2-amino-3-phenylpropanoyl]oxyphenyl]propanoic acid

C18H20N2O4 (328.14230000000003)


   

(2S)-2-Amino-3-[3-[(2S)-2-amino-3-phenylpropanoyl]oxyphenyl]propanoic acid

(2S)-2-Amino-3-[3-[(2S)-2-amino-3-phenylpropanoyl]oxyphenyl]propanoic acid

C18H20N2O4 (328.14230000000003)


   

Zosimin

2-[(8S)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl]propan-2-yl (2Z)-2-methylbut-2-enoate

C19H20O5 (328.13106700000003)


Zosimin is a member of the class of compounds known as angular furanocoumarins. Angular furanocoumarins are furanocoumarins, with a structure characterized by a furan ring angularly fused to a coumarin. Zosimin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Zosimin can be found in carrot and wild carrot, which makes zosimin a potential biomarker for the consumption of these food products. Columbianadin, a natural coumarin from Heracleum hemsleyanum, is known to have various biological activities including anti-inflammatory and anti-cancer effects. Columbianadin, a natural coumarin from Heracleum hemsleyanum, is known to have various biological activities including anti-inflammatory and anti-cancer effects.

   

MethylophiopogonanoneB

4H-1-Benzopyran-4-one,2,3-dihydro-5,7-dihydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-, (3R)-

C19H20O5 (328.13106700000003)


Methylophiopogonanone B is a natural product found in Ophiopogon japonicus and Polygonatum odoratum with data available. Methylophiopogonanone B, homoisoflavonoid, is extracted from the root of Ophiopogon japonicas, shows high antioxidant ability[1]. Methylophiopogonanone B increases GTP-Rho and acts via the Rho signaling pathway, inducing cell morphological change via actin cytoskeletal reorganization, including dendrite retraction and stress fiber formation[2]. Methylophiopogonanone B, homoisoflavonoid, is extracted from the root of Ophiopogon japonicas, shows high antioxidant ability[1]. Methylophiopogonanone B increases GTP-Rho and acts via the Rho signaling pathway, inducing cell morphological change via actin cytoskeletal reorganization, including dendrite retraction and stress fiber formation[2]. Methylophiopogonanone B, homoisoflavonoid, is extracted from the root of Ophiopogon japonicas, shows high antioxidant ability[1]. Methylophiopogonanone B increases GTP-Rho and acts via the Rho signaling pathway, inducing cell morphological change via actin cytoskeletal reorganization, including dendrite retraction and stress fiber formation[2].

   

Isopropylidenylacetyl-marmesin

2-(7-Oxo-3,7-dihydro-2H-furo[3,2-g]chromen-2-yl)propan-2-yl 3-methylbut-2-enoate

C19H20O5 (328.13106700000003)


Isopropylidenylacetyl-marmesin is a member of psoralens.

   

Zosimin

2-Butenoic acid, 2-methyl-, 1-(8,9-dihydro-2-oxo-2H-furo(2,3-h)-1-benzopyran-8-yl)-1-methylet- hyl ester, (S-(Z))-

C19H20O5 (328.13106700000003)


Columbianadin is an alpha,beta-unsaturated carboxylic ester obtained by formal condensation of the carboxy group of angelic acid with the hydroxy group of 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-ol. It has a role as an anti-inflammatory agent, an apoptosis inducer, a hepatoprotective agent, an antineoplastic agent, a rat metabolite and a plant metabolite. It is a furanocoumarin and an alpha,beta-unsaturated carboxylic ester. It is functionally related to an angelic acid. Columbianadin is a natural product found in Heracleum candolleanum, Peucedanum palustre, and other organisms with data available. An alpha,beta-unsaturated carboxylic ester obtained by formal condensation of the carboxy group of angelic acid with the hydroxy group of 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-ol. Columbianadin, a natural coumarin from Heracleum hemsleyanum, is known to have various biological activities including anti-inflammatory and anti-cancer effects. Columbianadin, a natural coumarin from Heracleum hemsleyanum, is known to have various biological activities including anti-inflammatory and anti-cancer effects.

   

Hirsutenone

InChI=1/C19H20O5/c20-15(8-5-14-7-10-17(22)19(24)12-14)4-2-1-3-13-6-9-16(21)18(23)11-13/h2,4,6-7,9-12,21-24H,1,3,5,8H2/b4-2

C19H20O5 (328.13106700000003)


(4E)-1,7-bis(3,4-dihydroxyphenyl)hept-4-en-3-one is a diarylheptanoid. Hirsutenone is a natural product found in Viscum cruciatum, Meistera muricarpa, and other organisms with data available.

   

Selinidin

Selinidin

C19H20O5 (328.13106700000003)


Origin: Plant, Coumarins

   
   
   
   
   

5-O-Methylleridol

(S) -5,7-Dimethoxy-6- (hydroxymethyl) -8-methylflavanone

C19H20O5 (328.13106700000003)


   

Methylophiopogonanone B

(-)-Methylophiopogonanone B

C19H20O5 (328.13106700000003)


Methylophiopogonanone B, homoisoflavonoid, is extracted from the root of Ophiopogon japonicas, shows high antioxidant ability[1]. Methylophiopogonanone B increases GTP-Rho and acts via the Rho signaling pathway, inducing cell morphological change via actin cytoskeletal reorganization, including dendrite retraction and stress fiber formation[2]. Methylophiopogonanone B, homoisoflavonoid, is extracted from the root of Ophiopogon japonicas, shows high antioxidant ability[1]. Methylophiopogonanone B increases GTP-Rho and acts via the Rho signaling pathway, inducing cell morphological change via actin cytoskeletal reorganization, including dendrite retraction and stress fiber formation[2]. Methylophiopogonanone B, homoisoflavonoid, is extracted from the root of Ophiopogon japonicas, shows high antioxidant ability[1]. Methylophiopogonanone B increases GTP-Rho and acts via the Rho signaling pathway, inducing cell morphological change via actin cytoskeletal reorganization, including dendrite retraction and stress fiber formation[2].

   

2-Hydroxy-7,8-dehydrograndiflorone

2-Hydroxy-7,8-dehydrograndiflorone

C19H20O5 (328.13106700000003)


   
   
   
   

5,7-Dimethoxy-3-(4-methoxybenzyl)chroman-4-one

(-)-5,7-Dimethoxy-3-(4-methoxybenzyl)chroman-4-one

C19H20O5 (328.13106700000003)


   

5-Deoxyprotobruceol II regioisomer

5-Deoxyprotobruceol II regioisomer

C19H20O5 (328.13106700000003)


   
   

5-Deoxyprotobruceol III regioisomer

5-Deoxyprotobruceol III regioisomer

C19H20O5 (328.13106700000003)


   

2,3,4,6,7-Pentamethoxyphenanthrene

2,3,4,6,7-Pentamethoxyphenanthrene

C19H20O5 (328.13106700000003)


   
   
   

STEMOFURAN R

STEMOFURAN R

C19H20O5 (328.13106700000003)


A natural product found in Stemona aphylla.

   

5-[3-(tert-butyl)-1-(3-methylbenzyl)-1H-pyrazol-5-yl]-1,3,4-oxadiazole-2-thiol

5-[3-(tert-butyl)-1-(3-methylbenzyl)-1H-pyrazol-5-yl]-1,3,4-oxadiazole-2-thiol

C17H20N4OS (328.135775)


   
   
   
   

6-(4-sulfophenyl)decanoic acid

6-(4-sulfophenyl)decanoic acid

C16H24O5S (328.1344374)


   
   
   

DEOXYSAPPANONE B TRIMETHYL ETHER

DEOXYSAPPANONE B TRIMETHYL ETHER

C19H20O5 (328.13106700000003)


   

Levatin

(5S,5S,6S)-5-(furan-3-yl)-4-methylidenespiro[10-oxatricyclo[7.2.1.01,6]dodecane-5,3-oxolane]-2,11-dione

C19H20O5 (328.13106700000003)


   

(+/-)-4,6-dimethoxy-3-(4-methoxybenzyl)-3-methylbenzo[b]furan-2(3H)-one

(+/-)-4,6-dimethoxy-3-(4-methoxybenzyl)-3-methylbenzo[b]furan-2(3H)-one

C19H20O5 (328.13106700000003)


   
   

7-{[(2R*)-3,3-dimethyloxiran-2-yl]methoxy}-8-[(2R*,3R*)-3-iso-propenyloxiran-2-yl]-2H-chromen-2-one

7-{[(2R*)-3,3-dimethyloxiran-2-yl]methoxy}-8-[(2R*,3R*)-3-iso-propenyloxiran-2-yl]-2H-chromen-2-one

C19H20O5 (328.13106700000003)


   
   

(3R)-5,7-dihydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one

(3R)-5,7-dihydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one

C19H20O5 (328.13106700000003)


   
   
   

(1S,2R,5S,6R)-2-(4-hydroxyphenyl)-6-(3-methoxy-4-hydroxyphenyl)-3,7-dioxabicyclo[3.3.0]octane

(1S,2R,5S,6R)-2-(4-hydroxyphenyl)-6-(3-methoxy-4-hydroxyphenyl)-3,7-dioxabicyclo[3.3.0]octane

C19H20O5 (328.13106700000003)


   

1-methyl-3-(4-hydroxyphenyl)propyl caffeate

1-methyl-3-(4-hydroxyphenyl)propyl caffeate

C19H20O5 (328.13106700000003)


   

Tetra-Me ether-2,3,4,6-Tetrahydroxychalcone,

Tetra-Me ether-2,3,4,6-Tetrahydroxychalcone,

C19H20O5 (328.13106700000003)


   
   

5-(3-hydroxypropyl)-2-(2,3-dimethoxy-4-hydroxyphenyl)benzofuran

5-(3-hydroxypropyl)-2-(2,3-dimethoxy-4-hydroxyphenyl)benzofuran

C19H20O5 (328.13106700000003)


   

3,4-diacetoxy-3-methoxybibenzyl

3,4-diacetoxy-3-methoxybibenzyl

C19H20O5 (328.13106700000003)


   
   
   
   

Teucvidin

Spiro(furan-3(2H),6-(6H)naphtho(1,8-bc)furan)-2,2(4H)-dione, 5-(3-furanyl)-3,4,5,5,5a,7,8,8a-octahydro-7-methyl-, 5aR-(5aalpha,6alpha(S*),7alpha,8aalpha))-

C19H20O5 (328.13106700000003)


Teucvidin is a natural product found in Teucrium botrys, Teucrium kotschyanum, and other organisms with data available.

   
   

(4betaH)-8alpha-(2-methylpropenoyloxy)-2-oxo-1(5),10(14),1(13)-guaiatrien-12,6alpha-olide

(4betaH)-8alpha-(2-methylpropenoyloxy)-2-oxo-1(5),10(14),1(13)-guaiatrien-12,6alpha-olide

C19H20O5 (328.13106700000003)


   

3-Methoxy-4-[(2S,3R)-3-methyl-7-(E)-1-propenyl-2,3-dihydro-1,4-benzodioxin-2-yl]-1,2-benzenediol|3-methoxy-4-[(2S,3R)-3-methyl]-7-[(E)-1-propenyl-2,3-dihydro-1,4-benzodioxin-2-yl]-1,2-benzenodiol

3-Methoxy-4-[(2S,3R)-3-methyl-7-(E)-1-propenyl-2,3-dihydro-1,4-benzodioxin-2-yl]-1,2-benzenediol|3-methoxy-4-[(2S,3R)-3-methyl]-7-[(E)-1-propenyl-2,3-dihydro-1,4-benzodioxin-2-yl]-1,2-benzenodiol

C19H20O5 (328.13106700000003)


   

1,3-bis(2,4-dimethoxyphenyl)prop-2-en-1-one

1,3-bis(2,4-dimethoxyphenyl)prop-2-en-1-one

C19H20O5 (328.13106700000003)


   
   

3-(4-Methoxybenzyl)-5,7-dimethoxychroman-4-one

3-(4-Methoxybenzyl)-5,7-dimethoxychroman-4-one

C19H20O5 (328.13106700000003)


   
   

3-demethoxydehydrodiconiferyl alcohol

3-demethoxydehydrodiconiferyl alcohol

C19H20O5 (328.13106700000003)


   

(E)-2,3-dihydroconiferyl p-coumarate

(E)-2,3-dihydroconiferyl p-coumarate

C19H20O5 (328.13106700000003)


   

Kadsurenin M

Kadsurenin M

C19H20O5 (328.13106700000003)


A neolignan that is 2,3-dihydro-1-benzofuran carrying 3,4-dimethoxyphenyl, methyl, formyl and methoxy substituents at positions 2, 3, 5 and 7 respectively.

   
   

1-phenyl-3-(2,3,4,6-tetramethoxyphenyl)prop-2-en-1-one

1-phenyl-3-(2,3,4,6-tetramethoxyphenyl)prop-2-en-1-one

C19H20O5 (328.13106700000003)


   
   

3,6-Bis(1H-indole-3-yl)-1,2,5,6-tetrahydropyrazine-2-one

3,6-Bis(1H-indole-3-yl)-1,2,5,6-tetrahydropyrazine-2-one

C20H16N4O (328.1324046)


   

2-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl (Z)-2-methylbut-2-enoate

2-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl (Z)-2-methylbut-2-enoate

C19H20O5 (328.13106700000003)


   

beta,2,4,5-tetramethoxychalcone

beta,2,4,5-tetramethoxychalcone

C19H20O5 (328.13106700000003)


   

5,7-dihydroxy-2-[14-methoxy-15-propylphenyl]-4H-chromen-4-one|leucasin

5,7-dihydroxy-2-[14-methoxy-15-propylphenyl]-4H-chromen-4-one|leucasin

C19H20O5 (328.13106700000003)


   
   

(7R,8R,9S)-(+)-paeoveitol|paeoveitol

(7R,8R,9S)-(+)-paeoveitol|paeoveitol

C19H20O5 (328.13106700000003)


   

5,7-dimethoxy-8-formyl-4-hydroxy-6-methylflavan

5,7-dimethoxy-8-formyl-4-hydroxy-6-methylflavan

C19H20O5 (328.13106700000003)


   
   

5-Hydroxy-7-methoxy-2-(p-methoxyphenyl)-6,8-dimethyl-4-chromanone, (.+/-.)-

5-Hydroxy-7-methoxy-2-(p-methoxyphenyl)-6,8-dimethyl-4-chromanone, (.+/-.)-

C19H20O5 (328.13106700000003)


   

2,4-Dihydroxy-6-methylbenzoic acid 2-(3-methyl-2-butenyl)-4-hydroxyphenyl ester

2,4-Dihydroxy-6-methylbenzoic acid 2-(3-methyl-2-butenyl)-4-hydroxyphenyl ester

C19H20O5 (328.13106700000003)


   

(10S)-11,12-dihydroxy-6-methoxy-15,16-dinorpimara-1,5,8,11,13-pentaene-3,7-dione|11,12-dihydroxy-6-methoxy-15,16-dinor-ent-pimara-1,5,8,11,13-pentaene-3,7-dione|dryperrein C

(10S)-11,12-dihydroxy-6-methoxy-15,16-dinorpimara-1,5,8,11,13-pentaene-3,7-dione|11,12-dihydroxy-6-methoxy-15,16-dinor-ent-pimara-1,5,8,11,13-pentaene-3,7-dione|dryperrein C

C19H20O5 (328.13106700000003)


   
   

5-(erythro-1,2-dihydroxypropyl)-2-(4-hydroxy-3-methoxyhenyl)-3-methylbenzofuran

5-(erythro-1,2-dihydroxypropyl)-2-(4-hydroxy-3-methoxyhenyl)-3-methylbenzofuran

C19H20O5 (328.13106700000003)


   

2-O-beta-D-Galactopyranosyl-L-rhamnitol

2-O-beta-D-Galactopyranosyl-L-rhamnitol

C12H24O10 (328.13694039999996)


   

2,3-trans-7,4-Dimethoxyflavan-3-ol-acetat

2,3-trans-7,4-Dimethoxyflavan-3-ol-acetat

C19H20O5 (328.13106700000003)


   

8beta-methacryloyloxyguaia-3,10(14),11(13)-trien-2-one-6alpha,12-olide

8beta-methacryloyloxyguaia-3,10(14),11(13)-trien-2-one-6alpha,12-olide

C19H20O5 (328.13106700000003)


   

11H-Dibenzo[b,e][1,4]dioxepin-11-one, 3,8-dihydroxy-1,9-dimethyl-6-(1-methylpropyl)-

11H-Dibenzo[b,e][1,4]dioxepin-11-one, 3,8-dihydroxy-1,9-dimethyl-6-(1-methylpropyl)-

C19H20O5 (328.13106700000003)


   

4-hydroxy-6-(hydroxy(phenyl)methyl)-N-(3-methylbutyryl)nicotinamide

4-hydroxy-6-(hydroxy(phenyl)methyl)-N-(3-methylbutyryl)nicotinamide

C18H20N2O4 (328.14230000000003)


   
   
   

3-hydroxydihydroconiferyl cinnamate

3-hydroxydihydroconiferyl cinnamate

C19H20O5 (328.13106700000003)


   
   
   

homocyclolongipesin 9-O-propionate|O-Propanoyl-Homocyclolongipesin

homocyclolongipesin 9-O-propionate|O-Propanoyl-Homocyclolongipesin

C19H20O5 (328.13106700000003)


   

8beta-methacryloyloxyguaia-1(10),3,11(13)-trien-2-on-6alpha,12-olide

8beta-methacryloyloxyguaia-1(10),3,11(13)-trien-2-on-6alpha,12-olide

C19H20O5 (328.13106700000003)


   
   
   

1-formyl-3-(2-hydroxymethyl-4-methoxyphenyl)-6-methoxy-2,4-dihydroquinazoline|dictyoquinazol B

1-formyl-3-(2-hydroxymethyl-4-methoxyphenyl)-6-methoxy-2,4-dihydroquinazoline|dictyoquinazol B

C18H20N2O4 (328.14230000000003)


   
   
   

tiapride

tiapride

C15H24N2O4S (328.14567040000003)


D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AL - Benzamides C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist CONFIDENCE standard compound; INTERNAL_ID 2278 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3028

   

10phiC10SPC

10phiC10SPC

C16H24O5S (328.1344374)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 3570

   

6a,7,8-trihydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione

NCGC00180216-02!6a,7,8-trihydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione

C19H20O5 (328.13106700000003)


   

2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 3-methylbut-2-enoate

NCGC00347359-02!2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 3-methylbut-2-enoate

C19H20O5 (328.13106700000003)


   

2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl (Z)-2-methylbut-2-enoate

NCGC00179820-03!2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl (Z)-2-methylbut-2-enoate

C19H20O5 (328.13106700000003)


   

(8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl) (Z)-2-methylbut-2-enoate

NCGC00095690-03!(8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl) (Z)-2-methylbut-2-enoate

C19H20O5 (328.13106700000003)


   

(E)-1,7-bis(3,4-dihydroxyphenyl)hept-4-en-3-one

NCGC00384668-01!(E)-1,7-bis(3,4-dihydroxyphenyl)hept-4-en-3-one

C19H20O5 (328.13106700000003)


   

CPP_329.1415_17.9

CPP_329.1415_17.9

C19H21ClN2O (328.1342326)


CONFIDENCE Probable structure via diagnostic evidence, tentative identification (Level 2b); INTERNAL_ID 302

   

10phiC10SPC (STANDARD)

10phiC10SPC (STANDARD)

C16H24O5S (328.1344374)


Auto-extracted from 131001_neg_02.mzML; CONFIDENCE Reference Standard (Level 1); Kindly provided by Jennifer Field, Oregon State University; Synthesis according to P.W. Taylor and G. Nickless, J. Chromotography, 178 (1979) 259-269.

   

SPA-10C (SAMPLE)

SPA-10C (SAMPLE)

C16H24O5S (328.1344374)


Auto-extracted from 131001_neg_03.mzML; CONFIDENCE Tentative identification: isomers possible (Level 3)

   

C18H20N2O4

NCGC00380985-01_C18H20N2O4_

C18H20N2O4 (328.14230000000003)


   

2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 3-methylbut-2-enoate

2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 3-methylbut-2-enoate

C19H20O5 (328.13106700000003)


   
   

6a,7,8-trihydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione

6a,7,8-trihydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione

C19H20O5 (328.13106700000003)


   

(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid

(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid

C19H20O5 (328.13106700000003)


   
   

6a,7,8-trihydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione [IIN-based on: CCMSLIB00000845038]

NCGC00180216-02!6a,7,8-trihydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione [IIN-based on: CCMSLIB00000845038]

C19H20O5 (328.13106700000003)


   

(8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl) (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000846617]

NCGC00095690-03!(8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl) (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000846617]

C19H20O5 (328.13106700000003)


   

6a,7,8-trihydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione [IIN-based: Match]

NCGC00180216-02!6a,7,8-trihydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione [IIN-based: Match]

C19H20O5 (328.13106700000003)


   

(8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl) (Z)-2-methylbut-2-enoate [IIN-based: Match]

NCGC00095690-03!(8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl) (Z)-2-methylbut-2-enoate [IIN-based: Match]

C19H20O5 (328.13106700000003)


   
   

Pesticide9_Pencycuron (Monceren) _C19H21ClN2O_

Pesticide9_Pencycuron (Monceren) _C19H21ClN2O_

C19H21ClN2O (328.1342326)


   
   

Phe-Tyr

2-[2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C18H20N2O4 (328.14230000000003)


A dipeptide formed from L-phenylalanine and L-tyrosine residues.

   

Tyr-Phe

2-(2-amino-3-phenylpropanamido)-3-(4-hydroxyphenyl)propanoic acid

C18H20N2O4 (328.14230000000003)


A dipeptide formed from L-tyrosine and L-phenylalanine residues.

   

DICTYOQUINAZOL B

3-[2-(hydroxymethyl)-4-methoxyphenyl]-6-methoxy-1,2,3,4-tetrahydroquinazoline-1-carbaldehyde

C18H20N2O4 (328.14230000000003)


   

Acutilobin

5,5-dimethyl-13-oxo-4,14-dioxatricyclo[8.4.0.0^{3,8}]tetradeca-1,3(8),9,11-tetraen-6-yl (2Z)-2-methylbut-2-enoate

C19H20O5 (328.13106700000003)


Decursinol angelate, a cytotoxic and protein kinase C (PKC) activating agent from the root of Angelica gigas, possesses anti-tumor and anti-inflammatory activities[1][2].

   
   
   

N-(2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)methanesulfonamide

N-(2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)methanesulfonamide

C13H21BN2O5S (328.1264166)


   

3-(1H-IMIDAZOL-4-YL)PROPYL-DI(4-FLUORO-PHENYL)-METHYL ETHER HCL

3-(1H-IMIDAZOL-4-YL)PROPYL-DI(4-FLUORO-PHENYL)-METHYL ETHER HCL

C19H18F2N2O (328.1387122)


   

(2R,3R)-N1,N4-Dibenzyl-2,3-dihydroxysuccinamide

(2R,3R)-N1,N4-Dibenzyl-2,3-dihydroxysuccinamide

C18H20N2O4 (328.14230000000003)


   

(S)-3-(benzylamino)-2-(benzyloxycarbonylamino)propanoic acid

(S)-3-(benzylamino)-2-(benzyloxycarbonylamino)propanoic acid

C18H20N2O4 (328.14230000000003)


   

4-(2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-ol

4-(2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-ol

C20H16N4O (328.1324046)


   

(5R)-3-amino-7-methyl-5,9-diphenyl-2-oxa-8,9-diazabicyclo[4.3.0]nona-3,7,10-triene-4-carbonitrile

(5R)-3-amino-7-methyl-5,9-diphenyl-2-oxa-8,9-diazabicyclo[4.3.0]nona-3,7,10-triene-4-carbonitrile

C20H16N4O (328.1324046)


   

4-amino-5-nitrobenzo-15-crown-5

4-amino-5-nitrobenzo-15-crown-5

C14H20N2O7 (328.127045)


   

N-[4-(5-Aminobenzimidazol-2-yl)phenyl]benzamide

N-[4-(5-Aminobenzimidazol-2-yl)phenyl]benzamide

C20H16N4O (328.1324046)


   

METHYL-2-DEOXY-5-O-(4-PHENYLBENZOYL)-ALPHA-D-THREO-PENTOFURANOSIDE

METHYL-2-DEOXY-5-O-(4-PHENYLBENZOYL)-ALPHA-D-THREO-PENTOFURANOSIDE

C19H20O5 (328.13106700000003)


   

4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium tetrafluoroborate

4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium tetrafluoroborate

C10H17BF4N4O3 (328.132977)


   
   

4-CARBOXYLPHENYL-4-PENTOXYBENZOATE

4-CARBOXYLPHENYL-4-PENTOXYBENZOATE

C19H20O5 (328.13106700000003)


   

4-(4-aminobenzoyl)oxybutyl 4-aminobenzoate

4-(4-aminobenzoyl)oxybutyl 4-aminobenzoate

C18H20N2O4 (328.14230000000003)


   

N-[(1R)-2-Amino-1-(4-methoxyphenyl)-2-oxoethyl]-4-methoxybenzeneacetamide

N-[(1R)-2-Amino-1-(4-methoxyphenyl)-2-oxoethyl]-4-methoxybenzeneacetamide

C18H20N2O4 (328.14230000000003)


   

1-(4-BENZHYDRYL-PIPERAZIN-1-YL)-2-CHLOROETHANONE

1-(4-BENZHYDRYL-PIPERAZIN-1-YL)-2-CHLOROETHANONE

C19H21ClN2O (328.1342326)


   

(2S,3S)-N,N-dibenzyl-2,3-dihydroxybutanediamide

(2S,3S)-N,N-dibenzyl-2,3-dihydroxybutanediamide

C18H20N2O4 (328.14230000000003)


   

N-(1 H-BENZOTRIAZOL-1-YLPHENYLMETHYL)BENZAMIDE

N-(1 H-BENZOTRIAZOL-1-YLPHENYLMETHYL)BENZAMIDE

C20H16N4O (328.1324046)


   
   

tert-butyl N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]carbamate

tert-butyl N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]carbamate

C16H19F3N2O2 (328.13985499999995)


   

Olanzapine Thiolactam Impurity

Olanzapine Thiolactam Impurity

C17H20N4OS (328.135775)


   
   

2-(3-hydroxypropyl)-6-[(3-hydroxypropyl)amino]-1H-benz[de]isoquinoline-1,3(2H)-dione

2-(3-hydroxypropyl)-6-[(3-hydroxypropyl)amino]-1H-benz[de]isoquinoline-1,3(2H)-dione

C18H20N2O4 (328.14230000000003)


   

(8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl) (E)-2-methylbut-2-enoate

2-Methyl-2-butenoic acid 9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b]dipyran-9-yl ester

C19H20O5 (328.13106700000003)


   

Mal-amido-PEG2-C2-acid

Mal-amido-PEG2-C2-acid

C14H20N2O7 (328.127045)


   

(2R)-3-Carboxy-N,N,N-trimethyl-2-(propionyloxy)-1-propanaminium chloride - glycine (1:1:1)

(2R)-3-Carboxy-N,N,N-trimethyl-2-(propionyloxy)-1-propanaminium chloride - glycine (1:1:1)

C12H25ClN2O6 (328.140106)


   

diethyl 4,4-diaMino-[1,1-biphenyl]-2,2-dicarboxylate

diethyl 4,4-diaMino-[1,1-biphenyl]-2,2-dicarboxylate

C18H20N2O4 (328.14230000000003)


   

2-(5-Butoxy-4-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(5-Butoxy-4-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C16H23BClFO3 (328.14127199999996)


   

7-amino-N-cyclohexyl-1-methyl-2-thiazolo[3,2-a]benzimidazolecarboxamide

6-AMINO-N-CYCLOHEXYL-3-METHYLTHIAZOLO[3,2-A]BENZIMIDAZOLE-2-CARBOXAMIDE HYDROCHLORIDE

C17H20N4OS (328.135775)


   

2-Hydroxymethyl Olanzapine

2-Hydroxymethyl Olanzapine

C17H20N4OS (328.135775)


   

N-(4-chlorophenyl)-2-phenyl-N-piperidin-4-ylacetamide

N-(4-chlorophenyl)-2-phenyl-N-piperidin-4-ylacetamide

C19H21ClN2O (328.1342326)


   

N,N-bis(2-hydroxy-3-Methoxy-benzylidene)ethylenediaMine

N,N-bis(2-hydroxy-3-Methoxy-benzylidene)ethylenediaMine

C18H20N2O4 (328.14230000000003)


D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates

   

N-[2-[2-(2-acetamidophenoxy)ethoxy]phenyl]acetamide

N-[2-[2-(2-acetamidophenoxy)ethoxy]phenyl]acetamide

C18H20N2O4 (328.14230000000003)


   

N-cyclohexyl-2-[[6-(2-pyridinyl)-3-pyridazinyl]thio]acetamide

N-cyclohexyl-2-[[6-(2-pyridinyl)-3-pyridazinyl]thio]acetamide

C17H20N4OS (328.135775)


   

2-(2-Hydroxy-biphenyl)-1h-benzoimidazole-5-carboxamidine

2-(2-Hydroxy-biphenyl)-1h-benzoimidazole-5-carboxamidine

C20H16N4O (328.1324046)


   

(2S)-4-(2,5-Difluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide

(2S)-4-(2,5-Difluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide

C19H18F2N2O (328.1387122)


   

(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid

(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid

C18H20N2O4 (328.14230000000003)


   

2-Amino-3-[4-Hydroxy-6-Oxo-3-(2-Phenyl-Cyclopropylimino)-Cyclohexa-1,4-Dienyl]-Propionic Acid

2-Amino-3-[4-Hydroxy-6-Oxo-3-(2-Phenyl-Cyclopropylimino)-Cyclohexa-1,4-Dienyl]-Propionic Acid

C18H20N2O4 (328.14230000000003)


   

4-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide

4-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide

C19H21ClN2O (328.1342326)


   

10-(4-Sulfophenyl)decanoic acid

10-(4-Sulfophenyl)decanoic acid

C16H24O5S (328.1344374)


   

1-{4-[(4-Chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-one

1-{4-[(4-Chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-one

C19H21ClN2O (328.1342326)


   

N-methyl-N-phenyl-4-pyrimidin-5-yl-1H-indole-2-carboxamide

N-methyl-N-phenyl-4-pyrimidin-5-yl-1H-indole-2-carboxamide

C20H16N4O (328.1324046)


   
   

7,8-Dihydrohomopteroic acid

7,8-Dihydrohomopteroic acid

C15H16N6O3 (328.1283826)


   

(2S)-2-(1-carboxyethylamino)-4-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]butanoic acid

(2S)-2-(1-carboxyethylamino)-4-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]butanoic acid

C13H20N4O6 (328.138278)


   

4-[(6aR)-3-amino-1-oxo-2,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl]benzoic acid

4-[(6aR)-3-amino-1-oxo-2,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl]benzoic acid

C15H16N6O3 (328.1283826)


   
   

7-hydroxyolanzapine

7-hydroxyolanzapine

C17H20N4OS (328.135775)


   

8,8-dimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-7-yl (2E)-2-methylbut-2-enoate

8,8-dimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-7-yl (2E)-2-methylbut-2-enoate

C19H20O5 (328.13106700000003)


   

2-Methyl-2-butenoic acid 1-methyl-1-(2-oxo-8,9-dihydro-2H-furo[2,3-h]-1-benzopyran-8-yl)ethyl ester

2-Methyl-2-butenoic acid 1-methyl-1-(2-oxo-8,9-dihydro-2H-furo[2,3-h]-1-benzopyran-8-yl)ethyl ester

C19H20O5 (328.13106700000003)


   

(2S)-2-Amino-3-[4-[(2S)-2-amino-3-phenylpropanoyl]oxyphenyl]propanoic acid

(2S)-2-Amino-3-[4-[(2S)-2-amino-3-phenylpropanoyl]oxyphenyl]propanoic acid

C18H20N2O4 (328.14230000000003)


   

6-methyl-2-oxo-5-[oxo-(1-phenylethylamino)methyl]-1H-pyridine-3-carboxylic acid ethyl ester

6-methyl-2-oxo-5-[oxo-(1-phenylethylamino)methyl]-1H-pyridine-3-carboxylic acid ethyl ester

C18H20N2O4 (328.14230000000003)


   

4-[[[(2-Methoxyphenyl)methylamino]-oxomethyl]amino]benzoic acid ethyl ester

4-[[[(2-Methoxyphenyl)methylamino]-oxomethyl]amino]benzoic acid ethyl ester

C18H20N2O4 (328.14230000000003)


   

1,2-dideoxy-1-{2,6-dioxo-5-[(1E)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-D-ribo-hexitol

1,2-dideoxy-1-{2,6-dioxo-5-[(1E)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-D-ribo-hexitol

C14H20N2O7 (328.127045)


   

5-Methyl-2-phenyl-4-[(3-quinolinylamino)methylidene]-3-pyrazolone

5-Methyl-2-phenyl-4-[(3-quinolinylamino)methylidene]-3-pyrazolone

C20H16N4O (328.1324046)


   

[(9R)-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl] (E)-2-methylbut-2-enoate

[(9R)-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl] (E)-2-methylbut-2-enoate

C19H20O5 (328.13106700000003)


   

2-Butyl-3-[(3-chlorophenyl)methyl]-5-methyl-6-imidazo[4,5-b]pyridinamine

2-Butyl-3-[(3-chlorophenyl)methyl]-5-methyl-6-imidazo[4,5-b]pyridinamine

C18H21ClN4 (328.1454656)


   

6-(butan-2-ylthio)-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

6-(butan-2-ylthio)-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

C17H20N4OS (328.135775)


   
   

2-[[[2-(2-Methoxyphenyl)ethylamino]-oxomethyl]amino]benzoic acid methyl ester

2-[[[2-(2-Methoxyphenyl)ethylamino]-oxomethyl]amino]benzoic acid methyl ester

C18H20N2O4 (328.14230000000003)


   

(1S)-2-(1H-indol-3-yl)-1-[5-(3-methylbut-2-enylthio)-1,3,4-oxadiazol-2-yl]ethanamine

(1S)-2-(1H-indol-3-yl)-1-[5-(3-methylbut-2-enylthio)-1,3,4-oxadiazol-2-yl]ethanamine

C17H20N4OS (328.135775)


   

N-[(2S,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide

N-[(2S,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide

C15H24N2O4S (328.14567040000003)


   

[(1R,2aS,8bS)-2-[(2-chlorophenyl)methyl]-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol

[(1R,2aS,8bS)-2-[(2-chlorophenyl)methyl]-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol

C19H21ClN2O (328.1342326)


   

N-[(2S,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide

N-[(2S,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide

C15H24N2O4S (328.14567040000003)


   

N-[(2S,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide

N-[(2S,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide

C15H24N2O4S (328.14567040000003)


   

N-[(2S,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide

N-[(2S,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide

C15H24N2O4S (328.14567040000003)


   

N-[(2R,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide

N-[(2R,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide

C15H24N2O4S (328.14567040000003)


   

[(1S,2aS,8bS)-2-[(2-chlorophenyl)methyl]-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol

[(1S,2aS,8bS)-2-[(2-chlorophenyl)methyl]-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol

C19H21ClN2O (328.1342326)


   

N-[(2R,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide

N-[(2R,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide

C15H24N2O4S (328.14567040000003)


   

N-[(2R,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide

N-[(2R,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide

C15H24N2O4S (328.14567040000003)


   

N-[(2R,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide

N-[(2R,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide

C15H24N2O4S (328.14567040000003)


   

[(1S,2aR,8bR)-2-[(2-chlorophenyl)methyl]-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol

[(1S,2aR,8bR)-2-[(2-chlorophenyl)methyl]-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol

C19H21ClN2O (328.1342326)


   

[(1R,2aR,8bR)-2-[(2-chlorophenyl)methyl]-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol

[(1R,2aR,8bR)-2-[(2-chlorophenyl)methyl]-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol

C19H21ClN2O (328.1342326)


   

2-Methylpropenoic acid (3aR)-2,3,3abeta,4,5,6,6abeta,7,9abeta,9balpha-decahydro-3,6-dimethylene-9-methyl-2,7-dioxoazuleno[4,5-b]furan-4alpha-yl ester

2-Methylpropenoic acid (3aR)-2,3,3abeta,4,5,6,6abeta,7,9abeta,9balpha-decahydro-3,6-dimethylene-9-methyl-2,7-dioxoazuleno[4,5-b]furan-4alpha-yl ester

C19H20O5 (328.13106700000003)


   
   

(-)-Demethoxylpinoresinol

(-)-Demethoxylpinoresinol

C19H20O5 (328.13106700000003)


A lignane that is the demethoxy derivative of (-)-pinoresinol. Isolated from Balanophora abbreviata, it exhibits inhibitory activity against nitric oxide synthase.

   
   

WURCS=2.0/2,2,1/[h1122h][a1221m-1a_1-5]/1-2/a4-b1

WURCS=2.0/2,2,1/[h1122h][a1221m-1a_1-5]/1-2/a4-b1

C12H24O10 (328.13694039999996)


   

2-O-(alpha-L-fucopyranosyl)-D-mannitol

2-O-(alpha-L-fucopyranosyl)-D-mannitol

C12H24O10 (328.13694039999996)


   

5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-2-[(E)-4-hydroxy-3-methylbut-1-enyl]benzene-1,3-diol

5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-2-[(E)-4-hydroxy-3-methylbut-1-enyl]benzene-1,3-diol

C19H20O5 (328.13106700000003)


   

2-O-(6-alpha-L-fucopyranosyl)-D-glucitol

2-O-(6-alpha-L-fucopyranosyl)-D-glucitol

C12H24O10 (328.13694039999996)


   

6-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-3-(3-methylbut-2-enyl)benzene-1,2,4-triol

6-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-3-(3-methylbut-2-enyl)benzene-1,2,4-triol

C19H20O5 (328.13106700000003)


   

2-[(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]benzene-1,3,5-triol

2-[(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]benzene-1,3,5-triol

C19H20O5 (328.13106700000003)


   

8,8-Dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano(2,3-F)chromen-9-YL 2-ME-2-butenoate

8,8-Dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano(2,3-F)chromen-9-YL 2-ME-2-butenoate

C19H20O5 (328.13106700000003)


   
   

Dimethyl 4-((E)-cinnamoyl)-4-cyclohexene-1,2-dicarboxylate

Dimethyl 4-((E)-cinnamoyl)-4-cyclohexene-1,2-dicarboxylate

C19H20O5 (328.13106700000003)


   

Dimethyl (3R*,5S*,6R*)-3-phenyl-2,3,4,5,6,7-hexahydroinden-1(H)-one-5,6-dicarboxylate

Dimethyl (3R*,5S*,6R*)-3-phenyl-2,3,4,5,6,7-hexahydroinden-1(H)-one-5,6-dicarboxylate

C19H20O5 (328.13106700000003)


   

Dimethyl (3R*,5S*,6S*)-3-phenyl-2,3,4,5,6,7-hexahydroinden-1(H)-one-5,6-dicarboxylate

Dimethyl (3R*,5S*,6S*)-3-phenyl-2,3,4,5,6,7-hexahydroinden-1(H)-one-5,6-dicarboxylate

C19H20O5 (328.13106700000003)


   

Dimethyl trans-4-((E)-cinnamoyl)-4-cyclohexene-1,2-dicarboxylate

Dimethyl trans-4-((E)-cinnamoyl)-4-cyclohexene-1,2-dicarboxylate

C19H20O5 (328.13106700000003)


   

Diethyl 4-hydroxy-2-oxo-6-phenylhexylphosphonate

Diethyl 4-hydroxy-2-oxo-6-phenylhexylphosphonate

C16H25O5P (328.143953)


   

2-Amino-3-cyano-4,8-bis(methoxymethyl)azulene-1-carboxylic acid ethyl ester

2-Amino-3-cyano-4,8-bis(methoxymethyl)azulene-1-carboxylic acid ethyl ester

C18H20N2O4 (328.14230000000003)


   

1-(4-Methoxyphenyl)-1,3-bis(methylthio)-4-(trimethylsilyl)butane

1-(4-Methoxyphenyl)-1,3-bis(methylthio)-4-(trimethylsilyl)butane

C16H28OS2Si (328.1350758)


   

(2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) (Z)-2-methylbut-2-enoate

(2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) (Z)-2-methylbut-2-enoate

C19H20O5 (328.13106700000003)


   

alpha-L-Fucp-(1->2)-D-Man-OH

alpha-L-Fucp-(1->2)-D-Man-OH

C12H24O10 (328.13694039999996)


An alpha-L-fucoside resulting from the formal condensation of the hydroxy group at position 2 of D-mannitol with alpha-L-fucose.

   

alpha-L-Fucp-(1->3)-D-mannitol

alpha-L-Fucp-(1->3)-D-mannitol

C12H24O10 (328.13694039999996)


A disaccharide that is D-mannitol in which the hydroxy group at position 3 has been converted into the corresponding alpha-L-fucoside.

   

IOX4

IOX4

C15H16N6O3 (328.1283826)


IOX4 is a selective HIF prolyl-hydroxylase 2 (PHD2) inhibitor with an IC50 value of 1.6 nM, induces HIFα in cells and in wildtype mice with marked induction in the brain tissue. IOX4 competes with and displaces 2-oxoglutarate (2OG) at the active site of PHD2[1].

   

(8r)-8-[(3s)-3-hydroperoxy-4-methylpent-4-en-1-yl]-8-methylpyrano[2,3-f]chromen-2-one

(8r)-8-[(3s)-3-hydroperoxy-4-methylpent-4-en-1-yl]-8-methylpyrano[2,3-f]chromen-2-one

C19H20O5 (328.13106700000003)


   

(2s,3r,3ar,7ar)-2-(2h-1,3-benzodioxol-5-yl)-7a-hydroxy-3-methyl-3a-(prop-2-en-1-yl)-3,4-dihydro-2h-1-benzofuran-7-one

(2s,3r,3ar,7ar)-2-(2h-1,3-benzodioxol-5-yl)-7a-hydroxy-3-methyl-3a-(prop-2-en-1-yl)-3,4-dihydro-2h-1-benzofuran-7-one

C19H20O5 (328.13106700000003)


   

6-[(4-hydroxyphenyl)methyl]-4,4-dimethyl-3,5,8-trioxatricyclo[7.4.0.0²,⁶]trideca-1(13),9,11-trien-11-ol

6-[(4-hydroxyphenyl)methyl]-4,4-dimethyl-3,5,8-trioxatricyclo[7.4.0.0²,⁶]trideca-1(13),9,11-trien-11-ol

C19H20O5 (328.13106700000003)


   

(9s)-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-9-yl 3-methylbut-2-enoate

(9s)-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-9-yl 3-methylbut-2-enoate

C19H20O5 (328.13106700000003)


   

(2r,6ar,10s,10as,10bs)-2-(furan-3-yl)-10-hydroxy-6a,10b-dimethyl-1h,2h,6h,10h,10ah-naphtho[2,1-c]pyran-4,7-dione

(2r,6ar,10s,10as,10bs)-2-(furan-3-yl)-10-hydroxy-6a,10b-dimethyl-1h,2h,6h,10h,10ah-naphtho[2,1-c]pyran-4,7-dione

C19H20O5 (328.13106700000003)


   

3,14-dihydroxy-13,17,17-trimethyl-8,12-dioxapentacyclo[11.4.1.0²,¹¹.0⁴,⁹.0¹⁶,¹⁸]octadeca-2(11),3,5,9-tetraen-7-one

3,14-dihydroxy-13,17,17-trimethyl-8,12-dioxapentacyclo[11.4.1.0²,¹¹.0⁴,⁹.0¹⁶,¹⁸]octadeca-2(11),3,5,9-tetraen-7-one

C19H20O5 (328.13106700000003)


   

(2e)-3-phenyl-1-(2,3,4,6-tetramethoxyphenyl)prop-2-en-1-one

(2e)-3-phenyl-1-(2,3,4,6-tetramethoxyphenyl)prop-2-en-1-one

C19H20O5 (328.13106700000003)


   

(3s)-9,9-dimethyl-2-oxo-3h,4h-pyrano[2,3-g]chromen-3-yl (2e)-2-methylbut-2-enoate

(3s)-9,9-dimethyl-2-oxo-3h,4h-pyrano[2,3-g]chromen-3-yl (2e)-2-methylbut-2-enoate

C19H20O5 (328.13106700000003)


   

(1r,2s,14s)-9-hydroxy-5-(hydroxymethyl)-14-isopropoxy-1-methyl-13-oxatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-4,6,8(15),9,11-pentaen-3-one

(1r,2s,14s)-9-hydroxy-5-(hydroxymethyl)-14-isopropoxy-1-methyl-13-oxatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-4,6,8(15),9,11-pentaen-3-one

C19H20O5 (328.13106700000003)


   

5-(furan-3-yl)-6'-methyl-3'-oxaspiro[oxolane-3,7'-tricyclo[6.3.1.0⁴,¹²]dodecan]-8'(12')-ene-2,2'-dione

5-(furan-3-yl)-6'-methyl-3'-oxaspiro[oxolane-3,7'-tricyclo[6.3.1.0⁴,¹²]dodecan]-8'(12')-ene-2,2'-dione

C19H20O5 (328.13106700000003)


   

4a,8-dihydroxy-3-methyl-2,3,4,5,6,6a,12a,12b-octahydrotetraphene-1,7,12-trione

4a,8-dihydroxy-3-methyl-2,3,4,5,6,6a,12a,12b-octahydrotetraphene-1,7,12-trione

C19H20O5 (328.13106700000003)


   

(8r,12r)-3,8,12,17-tetrahydroxytricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,14,16-hexaen-9-one

(8r,12r)-3,8,12,17-tetrahydroxytricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,14,16-hexaen-9-one

C19H20O5 (328.13106700000003)


   

2-[3-hydroxy-2-(3-methylbut-2-en-1-yl)benzoyl]-5-methoxybenzene-1,3-diol

2-[3-hydroxy-2-(3-methylbut-2-en-1-yl)benzoyl]-5-methoxybenzene-1,3-diol

C19H20O5 (328.13106700000003)


   

(8s)-8-[(2e)-4-hydroperoxy-4-methylpent-2-en-1-yl]-8-methylpyrano[2,3-f]chromen-2-one

(8s)-8-[(2e)-4-hydroperoxy-4-methylpent-2-en-1-yl]-8-methylpyrano[2,3-f]chromen-2-one

C19H20O5 (328.13106700000003)


   

9-methyl-3,6-dimethylidene-2,7-dioxo-3ah,4h,5h,8h,9h,9bh-azuleno[4,5-b]furan-4-yl 2-methylprop-2-enoate

9-methyl-3,6-dimethylidene-2,7-dioxo-3ah,4h,5h,8h,9h,9bh-azuleno[4,5-b]furan-4-yl 2-methylprop-2-enoate

C19H20O5 (328.13106700000003)


   

13-hydroxy-14,14,16,16-tetramethyl-2,17-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadeca-3,5,7,12-tetraene-11,15-dione

13-hydroxy-14,14,16,16-tetramethyl-2,17-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadeca-3,5,7,12-tetraene-11,15-dione

C19H20O5 (328.13106700000003)


   

4-[(2s,3r)-3-[(2r)-2-hydroxy-4-(4-hydroxyphenyl)butyl]oxirane-2-carbonyl]phenol

4-[(2s,3r)-3-[(2r)-2-hydroxy-4-(4-hydroxyphenyl)butyl]oxirane-2-carbonyl]phenol

C19H20O5 (328.13106700000003)


   

1-phenyl-3-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one

1-phenyl-3-(2,3,4,5-tetramethoxyphenyl)prop-2-en-1-one

C19H20O5 (328.13106700000003)


   

7-[(3s)-3-(5,5-dimethyl-4-oxofuran-2-yl)butoxy]chromen-2-one

7-[(3s)-3-(5,5-dimethyl-4-oxofuran-2-yl)butoxy]chromen-2-one

C19H20O5 (328.13106700000003)


   

[(8r)-8-methyl-2-oxopyrano[2,3-f]chromen-8-yl]methyl 3-methylbutanoate

[(8r)-8-methyl-2-oxopyrano[2,3-f]chromen-8-yl]methyl 3-methylbutanoate

C19H20O5 (328.13106700000003)


   

7-{[(2r)-3,3-dimethyloxiran-2-yl]methoxy}-8-[(2r,3r)-3-(prop-1-en-2-yl)oxiran-2-yl]chromen-2-one

7-{[(2r)-3,3-dimethyloxiran-2-yl]methoxy}-8-[(2r,3r)-3-(prop-1-en-2-yl)oxiran-2-yl]chromen-2-one

C19H20O5 (328.13106700000003)