Exact Mass: 312.1213064

Exact Mass Matches: 312.1213064

Found 500 metabolites which its exact mass value is equals to given mass value 312.1213064, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Benzyl butyl phthalate

Butyl phenylmethyl 1,2-benzenedicarboxylic acid

C19H20O4 (312.13615200000004)


CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10079; ORIGINAL_PRECURSOR_SCAN_NO 10074 CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10050; ORIGINAL_PRECURSOR_SCAN_NO 10045 CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10050; ORIGINAL_PRECURSOR_SCAN_NO 10048 CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10020; ORIGINAL_PRECURSOR_SCAN_NO 10018 CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10069; ORIGINAL_PRECURSOR_SCAN_NO 10066 CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9995; ORIGINAL_PRECURSOR_SCAN_NO 9990 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3597 CONFIDENCE standard compound; INTERNAL_ID 8369 D009676 - Noxae > D013723 - Teratogens

   

Olanzapine

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

C17H20N4S (312.14086000000003)


Olanzapine was the third atypical antipsychotic to gain approval by the Food and Drug Administration (FDA) and has become one of the most commonly used atypical antipsychotics. Olanzapine has been approved by the FDA for the treatment of schizophrenia, acute mania in bipolar disorder, agitation associated with schizophrenia and bipolar disorder, and as maintenance treatment in bipolar disorder and psychotic depression. It has also been established in treating depression off-label because of its mood-stabilizing properties and its ability to increase the efficacy of antidepressants. Olanzapine is manufactured and marketed by the pharmaceutical company Eli Lilly and Company. It is available as a pill that comes in the strengths of 2.5 mg, 5 mg, 7.5 mg, 10 mg, 15 mg, and 20 mg and as as Zydis orally disintegrating tablets in the strengths of 5 mg, 10 mg, 15 mg, and 20 mg. It is also available as a rapid-acting intramuscular injection for short term acute use. Olanzapine (oh-LAN-za-peen, sold as Zyprexa, Zydis, or in combination with fluoxetine, as Symbyax) was the third atypical antipsychotic to gain approval by the Food and Drug Administration (FDA) and has become one of the most commonly used atypical antipsychotics. Olanzapine has been approved by the FDA for the treatment of schizophrenia, acute mania in bipolar disorder, agitation associated with schizophrenia and bipolar disorder, and as maintenance treatment in bipolar disorder and psychotic depression. Olanzapine was the third atypical antipsychotic to gain approval by the Food and Drug Administration (FDA) and has become one of the most commonly used atypical antipsychotics. Olanzapine has been approved by the FDA for the treatment of schizophrenia, acute mania in bipolar disorder, agitation associated with schizophrenia and bipolar disorder, and as maintenance treatment in bipolar disorder and psychotic depression. N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AH - Diazepines, oxazepines, thiazepines and oxepines D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics CONFIDENCE standard compound; INTERNAL_ID 1517 D049990 - Membrane Transport Modulators Olanzapine (LY170053) is a selective, orally active monoaminergic antagonist with high affinity binding to serotonin H1, 5HT2A/2C, 5HT3, 5HT6 (Ki=7, 4, 11, 57, and 5 nM, respectively), dopamine D1-4 (Ki=11 to 31 nM), muscarinic M1-5 (Ki=1.9-25 nM), and adrenergic α1 receptor (Ki=19 nM). Olanzapine is an atypical antipsychotic[1][2].

   

p-Coumaryl alcohol 4-O-glucoside

(Z)-4-Hydroxy-cinnamyl alcohol 4-O-beta-D-glucopyranoside

C15H20O7 (312.120897)


   

Nivalenol

(1S,2R,2R,3S,7R,9R,10R,11S)-3,10,11-trihydroxy-2-(hydroxymethyl)-1,5-dimethyl-8-oxaspiro[oxirane-2,12-tricyclo[7.2.1.0^{2,7}]dodecan]-5-en-4-one

C15H20O7 (312.120897)


Nivalenol is a trichothecene produced by Fusaria, Stachybotrys, Trichoderma and other fungi, and some higher plants. They may contaminate food or feed grains, induce emesis and hemorrhage in lungs and brain, and damage bone marrow due to protein and DNA synthesis inhibition.(PubChem). It has been reported in the urine of patients suffering chronic idiopathic spastic paraparesis. These patients are usually found in hot and humid regions, most of which have heavy rains, and these conditions allow foods to be polluted by fungi some of which become toxigenic (PubMed ID 8855894 ). Nivalenol is a trichothecene produced by Fusaria, Stachybotrys, Trichoderma and other fungi, and some higher plants. They may contaminate food or feed grains, induce emesis and hemorrhage in lungs and brain, and damage bone marrow due to protein and DNA synthesis inhibition.(PubChem) D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins

   

Serotinose

6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-2,3,4,5-tetrol

C11H20O10 (312.105642)


Serotinose is found in fruits. Serotinose is from glucomannan of Tamarindus indic

   

Arabinogalactose

(3R,4S,5S,6R)-6-(hydroxymethyl)-4-{[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}oxane-2,3,5-triol

C11H20O10 (312.105642)


Arabinogalactose is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Arabinogalactose is soluble (in water) and a very weakly acidic compound (based on its pKa). Arabinogalactose can be found in arabica coffee, which makes arabinogalactose a potential biomarker for the consumption of this food product.

   
   

5,6,7-Trimethoxyflavone

Baicalein 5,6,7-trimethyl ether

C18H16O5 (312.0997686)


5,6,7-Trimethoxyflavone is a novel p38-α MAPK inhibitor with an anti-inflammatory effect. 5,6,7-Trimethoxyflavone is isolated from several plants including Zeyhera tuberculosa, Callicarpa japonica, and Kickxia lanigera[1]. 5,6,7-Trimethoxyflavone is a novel p38-α MAPK inhibitor with an anti-inflammatory effect. 5,6,7-Trimethoxyflavone is isolated from several plants including Zeyhera tuberculosa, Callicarpa japonica, and Kickxia lanigera[1].

   

Galangin trimethyl ether

Galangin 3,5,7-trimethyl ether

C18H16O5 (312.0997686)


   

2',3,4',5-Tetrahydroxy-4-prenylstilbene

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

C19H20O4 (312.13615200000004)


2,3,4,5-Tetrahydroxy-4-prenylstilbene is found in fruits. 2,3,4,5-Tetrahydroxy-4-prenylstilbene is a constituent of Artocarpus incisus (breadfruit) and Morus alba (white mulberry) Constituent of Artocarpus incisus (breadfruit) and Morus alba (white mulberry). 2,3,4,5-Tetrahydroxy-4-prenylstilbene is found in fruits.

   
   

m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid

m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid

C19H20O4 (312.13615200000004)


   

Penicillin F

Penicillin F; 2-Pentenylpenicillin

C14H20N2O4S (312.11437200000006)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams

   

Flurprimidol

flurprimidol [ANSI]

C15H15F3N2O2 (312.1085566)


   

R1128B

1,3,6-Trihydroxy-8-n-butylanthraquinone

C18H16O5 (312.0997686)


   

Primeverose

6-O-(beta-D-xylopyranosyl)-D-glucopyranose

C11H20O10 (312.105642)


   
   

beta-Primeverose

6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose

C11H20O10 (312.105642)


Same as: G00322

   

4',5,7-Trimethoxyflavone

4H-1-Benzenopyran-4-one, 5,7-dimethoxy-2-(4-methoxyphenyl)-

C18H16O5 (312.0997686)


4,5,7-Trimethoxyflavone, also known as trimethylapigenin, belongs to the class of organic compounds known as 7-O-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Thus, 4,5,7-trimethoxyflavone is considered to be a flavonoid lipid molecule. 4,5,7-Trimethoxyflavone is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Outside of the human body, 4,5,7-trimethoxyflavone has been detected, but not quantified in, a few different foods, such as citrus, mandarin orange (clementine, tangerine), and sweet oranges. This could make 4,5,7-trimethoxyflavone a potential biomarker for the consumption of these foods. 4,5,7-Trimethoxyflavone is an ether and a member of flavonoids. 4,5,7-Trimethoxyflavone is a natural product found in Tanacetum vulgare, Citrus medica, and other organisms with data available. See also: Tangerine peel (part of). Occurs in the peel of Citrus reticulata (mandarin). 4,5,7-Trimethylapigenin is found in sweet orange and citrus. 5,7,4'-Trimethoxyflavone is isolated from Kaempferia parviflora (KP) that is a famous medicinal plant from Thailand. 5,7,4'-Trimethoxyflavone induces apoptosis, as evidenced by increments of sub-G1 phase, DNA fragmentation, annexin-V/PI staining, the Bax/Bcl-xL ratio, proteolytic activation of caspase-3, and degradation of poly (ADP-ribose) polymerase (PARP) protein.5,7,4'-Trimethoxyflavone is significantly effective at inhibiting proliferation of SNU-16 human gastric cancer cells in a concentration dependent manner[1]. 5,7,4'-Trimethoxyflavone is isolated from Kaempferia parviflora (KP) that is a famous medicinal plant from Thailand. 5,7,4'-Trimethoxyflavone induces apoptosis, as evidenced by increments of sub-G1 phase, DNA fragmentation, annexin-V/PI staining, the Bax/Bcl-xL ratio, proteolytic activation of caspase-3, and degradation of poly (ADP-ribose) polymerase (PARP) protein.5,7,4'-Trimethoxyflavone is significantly effective at inhibiting proliferation of SNU-16 human gastric cancer cells in a concentration dependent manner[1].

   

Norclozapine

6-chloro-10-(piperazin-1-yl)-2,9-diazatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,9,11,13-heptaene

C17H17ClN4 (312.1141672)


Norclozapine is the major metabolite of Clozapine. Clozapine is an atypical antipsychotic medication used in the treatment of schizophrenia, and is also sometimes used off-label for the treatment of bipolar disorder. Clozapine is extensively metabolized in the liver, via the cytochrome P450 system, to polar metabolites suitable for elimination in the urine and feces. The major metabolite, norclozapine (desmethyl-clozapine), is pharmacologically active. (Wikipedia) D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants N-Desmethylclozapine is a major active metabolite of the atypical antipsychotic agent Clozapine. N-Desmethylclozapine is a potent, allosteric and partial M1 receptors agonist (EC50=115 nM) and is able to potentiate hippocampal N-methyl-d-aspartate (NMDA) receptor currents through M1 receptor activation. N-Desmethylclozapine is also a δ-opioid agonist[1][2].

   

2',5,6-Trimethoxyflavone

5,6-dimethoxy-2-(2-methoxyphenyl)-4H-chromen-4-one

C18H16O5 (312.0997686)


2,5,6-Trimethoxyflavone is found in pomes. 2,5,6-Trimethoxyflavone is isolated from Casimiroa edulis (Mexican apple). Isolated from Casimiroa edulis (Mexican apple). 2,5,6-Trimethoxyflavone is found in pomes.

   

Tetrahydrobisdemethoxydiferuloylmethane

Tetrahydrobisdemethoxydiferuloylmethane

C19H20O4 (312.13615200000004)


   

2-O-b-D-Galactopyranosyl-D-xylose

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl]oxy}oxane-3,4,5-triol

C11H20O10 (312.105642)


2-O-b-D-Galactopyranosyl-D-xylose is isolated from the partial acid hydrolysate of gum tragacanth. Isolated from the partial acid hydrolysate of gum tragacanth

   

2-(2H-1,3-benzodioxol-5-yl)-5-(3-hydroxypropyl)-1-benzofuran-7-ol

2-(2H-1,3-benzodioxol-5-yl)-5-(3-hydroxypropyl)-1-benzofuran-7-ol

C18H16O5 (312.0997686)


   

4-(3-Methyl-1-butenyl)-3,3',4',5-tetrahydroxystilbene

5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]-2-[(1E)-3-methylbut-1-en-1-yl]benzene-1,3-diol

C19H20O4 (312.13615200000004)


(E,E)-Arachidin I is found in nuts. (E,E)-Arachidin I is a constituent of peanuts (Arachis hypogaea). Constituent of peanuts (Arachis hypogaea). (E,E)-Arachidin I is found in nuts.

   

3-O-beta-D-Galactopyranosyl-L-arabinose

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(3R,4S,5S)-2,3,5-trihydroxyoxan-4-yl]oxy}oxane-3,4,5-triol

C11H20O10 (312.105642)


3-O-beta-D-Galactopyranosyl-L-arabinose is found in fruits. 3-O-beta-D-Galactopyranosyl-L-arabinose is isolated from partial acid hydrolysates of Aegle marmelos gum (bael fruit) and from the mucilage of Opuntia ficus-indica (Indian fig). Isolated from partial acid hydrolysates of Aegle marmelos gum (bael fruit) and from the mucilage of Opuntia ficus-indica (Indian fig). 3-O-beta-D-Galactopyranosyl-L-arabinose is found in fruits.

   

5-Hydroxy-4',7-dimethoxy-6-methylflavone

5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methyl-4H-1-benzopyran-4-one

C18H16O5 (312.0997686)


5-Hydroxy-4,7-dimethoxy-6-methylflavone is found in beverages. 5-Hydroxy-4,7-dimethoxy-6-methylflavone is isolated from Gaultheria procumbens (wintergreen). Isolated from Gaultheria procumbens (wintergreen). 5-Hydroxy-4,7-dimethoxy-6-methylflavone is found in tea, herbs and spices, and beverages.

   

Cabreuvin

3-(3,4-Dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one

C18H16O5 (312.0997686)


Cabreuvin is isolated from Myroxylon balsamum (Tolu balsam

   

1,4,5-Trihydroxy-3-prenylxanthone

1,4,5-Trihydroxy-3-(3-methyl-2-butenyl)-9H-xanthen-9-one, 9ci

C18H16O5 (312.0997686)


1,4,5-Trihydroxy-3-prenylxanthone is found in fruits. 1,4,5-Trihydroxy-3-prenylxanthone is a constituent of the root bark of Garcinia livingstonei (imbe). Constituent of the root bark of Garcinia livingstonei (imbe). 1,4,5-Trihydroxy-3-prenylxanthone is found in fruits.

   

3-Hydroxychavicol 1-glucoside

2-[2-hydroxy-4-(prop-2-en-1-yl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C15H20O7 (312.120897)


3-Hydroxychavicol 1-glucoside is found in herbs and spices. 3-Hydroxychavicol 1-glucoside is a constituent of Mentha spicata var. crispa (spearmint) and rhizomes of Alpinia officinarum (lesser galangal) Constituent of Mentha spicata variety crispa (spearmint) and rhizomes of Alpinia officinarum (lesser galangal). 3-Hydroxychavicol 1-glucoside is found in herbs and spices.

   

3',4',5'-Trimethoxyflavone

2-(3,4,5-Trimethoxyphenyl)-4H-1-benzopyran-4-one

C18H16O5 (312.0997686)


3,4,5-Trimethoxyflavone is found in herbs and spices. 3,4,5-Trimethoxyflavone is a constituent of the flowers of Primula veris (cowslip). Constituent of the flowers of Primula veris (cowslip). 3,4,5-Trimethoxyflavone is found in tea and herbs and spices.

   
   

(1E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-1-en-3-one

(1E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-1-en-3-one

C19H20O4 (312.13615200000004)


   

1-[2-(2H-1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propane-1,3-diol

1-[2-(2H-1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propane-1,3-diol

C18H16O5 (312.0997686)


   

Gancaonin V

8-(3-methylbut-2-en-1-yl)-9,10-dihydrophenanthrene-2,3,5,7-tetrol

C19H20O4 (312.13615200000004)


Gancaonin V is found in herbs and spices. Gancaonin V is a constituent of Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice). Gancaonin V is found in herbs and spices.

   

Sambubiose

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

C11H20O10 (312.105642)


Sambubiose is found in black elderberry. Sambubiose is isolated from Sambucus nigra (elderberry Isolated from Sambucus nigra (elderberry). Sambubiose is found in fruits and black elderberry.

   

3',5,6-Trimethoxyflavone

5,6-dimethoxy-2-(3-methoxyphenyl)-4H-chromen-4-one

C18H16O5 (312.0997686)


3,5,6-Trimethoxyflavone is found in pomes. 3,5,6-Trimethoxyflavone is isolated from Casimiroa edulis (Mexican apple). Isolated from Casimiroa edulis (Mexican apple). 3,5,6-Trimethoxyflavone is found in pomes.

   

Honyudisin

5-Hydroxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-2H,8H-benzo[1,2-b:3,4-b]dipyran-2-one, 9ci

C19H20O4 (312.13615200000004)


Honyudisin is found in citrus. Honyudisin is a constituent of Citrus grandis (pummelo). Constituent of Citrus grandis (pummelo). Honyudisin is found in citrus.

   

Methionyl-Tyrosine

2-{[2-amino-1-hydroxy-4-(methylsulphanyl)butylidene]amino}-3-(4-hydroxyphenyl)propanoic acid

C14H20N2O4S (312.11437200000006)


Methionyl-Tyrosine is a dipeptide composed of methionine 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.

   

Galactose-beta-1,4-xylose

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxy}oxane-3,4,5-triol

C11H20O10 (312.105642)


Galactose-beta-1,4-xylose is a disaccharide and a likely degradation product from glycosaminoglycans (GAGs) such as heparin sulfate and condroitin sulfate. GAGs are a major component of proteoglycans, which typically consist of a core protein and negatively charged GAGs. Proteoglycans are widely expressed on the cell surface and in the extracellular matrix of various tissues and play important roles in the control of growth and differentiation. The biosynthesis of GAG is initiated by the formation of the linkage tetrasaccharide structure, GlcA1,3Gal1, 3Gal1,4Xyl1-O-Ser, which is common to heparin sulfate, dermatan sulfate and condroitin sulfate. In humans proteoglycan 1,4-galactosyltransferase I (Beta 1,4-galactosyltransferase 7) (B4GalTI) transfers galactose to protein-linked xylose to form galactose-beta-1,4-xylose, which is the disaccharide unit from which the last two galactosyl and glucuronosyl units of the tetrasaccharide unit are attached via transferases. [HMDB] Galactose-beta-1,4-xylose is a disaccharide and a likely degradation product from glycosaminoglycans (GAGs) such as heparin sulfate and condroitin sulfate. GAGs are a major component of proteoglycans, which typically consist of a core protein and negatively charged GAGs. Proteoglycans are widely expressed on the cell surface and in the extracellular matrix of various tissues and play important roles in the control of growth and differentiation. The biosynthesis of GAG is initiated by the formation of the linkage tetrasaccharide structure, GlcA1,3Gal1, 3Gal1,4Xyl1-O-Ser, which is common to heparin sulfate, dermatan sulfate and condroitin sulfate. In humans proteoglycan 1,4-galactosyltransferase I (Beta 1,4-galactosyltransferase 7) (B4GalTI) transfers galactose to protein-linked xylose to form galactose-beta-1,4-xylose, which is the disaccharide unit from which the last two galactosyl and glucuronosyl units of the tetrasaccharide unit are attached via transferases.

   

Tyrosyl-Methionine

2-{[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-4-(methylsulphanyl)butanoic acid

C14H20N2O4S (312.11437200000006)


Tyrosyl-Methionine is a dipeptide composed of tyrosine and methionine. 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 A

3-[2-(hydroxymethyl)-4-methoxyphenyl]-6-methoxy-3,4-dihydroquinazolin-4-one

C17H16N2O4 (312.1110016)


Dictyoquinazol A is found in mushrooms. Dictyoquinazol A is an alkaloid from the edible mushroom Dictyophora indusiata. Alkaloid from the edible mushroom Dictyophora indusiata. Dictyoquinazol A is found in mushrooms.

   

6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol

6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol

C11H20O10 (312.105642)


   

(±)-Dulciol E

5,7-dihydroxy-2,3,3-trimethyl-2H,3H,11H-furo[2,3-a]xanthen-11-one

C18H16O5 (312.0997686)


(±)-Dulciol E is found in fruits. (±)-Dulciol E is a constituent of Garcinia dulcis (mundu)

   

Moringyne

3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl 2,6-dimethylbenzoic acid

C15H20O7 (312.120897)


Moringyne is found in fats and oils. Moringyne is a constituent of the seeds of Moringa oleifera (horseradish tree)

   

4-O-beta-D-Galactopyranosyl-D-xylose

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(3R,4R,5R,6S)-4,5,6-trihydroxyoxan-3-yl]oxy}oxane-3,4,5-triol

C11H20O10 (312.105642)


4-O-beta-D-Galactopyranosyl-D-xylose is found in cereals and cereal products. 4-O-beta-D-Galactopyranosyl-D-xylose is isolated from partial acid hydrolysate of corn-hull hemicellulose and from bean cell wall. 4-O-beta-D-Galactopyranosyl-D-xylose is a constituent of the oligosaccharides from the linkage region of chondroitin 4-sulfate. Isolated from partial acid hydrolysate of corn-hull hemicellulose and from bean cell wall. Constituent of the oligosaccharides from the linkage region of chondroitin 4-sulfate. 4-O-beta-D-Galactopyranosyl-D-xylose is found in cereals and cereal products.

   

2,4,6-Tris(2-pyridyl)-s-triazine

2,4,6-Tripyridyl-S-triazine monoperchlorate

C18H12N6 (312.1123392)


   

4-Galactosylxylose

2,3,4,5-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanal

C11H20O10 (312.105642)


   

6,7-Dimethyl-2,3-di-2-pyridylquinoxaline

6,7-dimethyl-2,3-bis(pyridin-2-yl)quinoxaline

C20H16N4 (312.1374896)


   

Chlorin

21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21)-decaene

C20H16N4 (312.1374896)


   

Dinitrophenyl-lysine

epsilon-Dinitrophenyllysine monohydrochloride, (L-lys)-isomer

C12H16N4O6 (312.1069796)


   

Gaxilose

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

C11H20O10 (312.105642)


   

Penicillin F

6-[(1-Hydroxyhex-3-en-1-ylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

C14H20N2O4S (312.11437200000006)


   

Piromelatine

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-oxo-4H-pyran-2-carboxamide

C17H16N2O4 (312.1110016)


C78272 - Agent Affecting Nervous System Piromelatine (Neu-P11) is a melatonin MT1/MT2 receptor agonist, serotonin 5-HT1A/5-HT1D agonist, and serotonin 5-HT2B antagonist. Piromelatine (Neu-P11) possesses sleep promoting, analgesic, anti-neurodegenerative, anxiolytic and antidepressant potentials. Piromelatine (Neu-P11) also possesses pain-related P2X3, TRPV1, and Nav1.7 channel-inhibition capacities[1][2][3].

   

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

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

C14H20N2O4S (312.11437200000006)


   

2-(1-Phenylpentoxycarbonyl)benzoic acid

2-{[(1-phenylpentyl)oxy]carbonyl}benzoic acid

C19H20O4 (312.13615200000004)


   

4-(1-(2-Fluoro-4-biphenyl)ethyl)-2-methylaminothiazole

4-(1-{2-fluoro-[1,1-biphenyl]-4-yl}ethyl)-N-methyl-1,3-thiazol-2-amine

C18H17FN2S (312.10964140000004)


   

tripyridyltriazine

tris(pyridin-2-yl)-1,2,3-triazine

C18H12N6 (312.1123392)


   

21,22,23,24-Tetrahydroporphyrin

21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11,13,15,17,19-decaene

C20H16N4 (312.1374896)


   

2-O-(beta-L-Arabinopyranosyl)-myoinositol

(1R,2S,3s,4R,5S,6s)-6-{[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol

C11H20O10 (312.105642)


2-o-(beta-l-arabinopyranosyl)-myoinositol is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. 2-o-(beta-l-arabinopyranosyl)-myoinositol is soluble (in water) and a very weakly acidic compound (based on its pKa). 2-o-(beta-l-arabinopyranosyl)-myoinositol can be found in tea, which makes 2-o-(beta-l-arabinopyranosyl)-myoinositol a potential biomarker for the consumption of this food product.

   

Nordentatin

5-hydroxy-2,2-dimethyl-6-(2-methylbut-3-en-2-yl)-2H,8H-pyrano[2,3-h]chromen-8-one

C19H20O4 (312.13615200000004)


Nordentatin is a member of the class of compounds known as angular pyranocoumarins. Angular pyranocoumarins are organic compounds containing a pyran (or a hydrogenated derivative) angularly fused to a coumarin moiety. Nordentatin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Nordentatin can be found in sweet orange, which makes nordentatin a potential biomarker for the consumption of this food product.

   

Eriosematin

5-Hydroxy-8,8-dimethyl-10-(3-methylbut-2-en-1-yl)pyrano[3,2-g]chromen-4(8H)-one

C19H20O4 (312.13615200000004)


Eriosematin is a natural product found in Eriosema tuberosum with data available.

   

Triandrin

Sachaliside 1

C15H20O7 (312.120897)


   
   
   

Bangangxanthone B

Bangangxanthone B

C18H16O5 (312.0997686)


   

Intricatin

8-Methoxybonducellin

C18H16O5 (312.0997686)


   

1,3,6-Trihydroxy-4-prenylxanthone

1,3,6-Trihydroxy-4-prenylxanthone

C18H16O5 (312.0997686)


   
   
   

4,5,7-Trimethoxyisoflavone

4,5,7-Trimethoxyisoflavone

C18H16O5 (312.0997686)


   
   
   
   
   

1,3,5-Trihydroxy-2-prenylxanthone

1,3,5-Trihydroxy-2-prenylxanthone

C18H16O5 (312.0997686)


   
   
   
   
   

caloxanthone G

(-)-Caloxanthone G

C18H16O5 (312.0997686)


   
   

12b-Hydroxy-des-D-garcigerrin A

12b-Hydroxy-des-D-garcigerrin A

C18H16O5 (312.0997686)


   
   

7,2,4-Trimethoxyisoflavone

7,2,4-Trimethoxyisoflavone

C18H16O5 (312.0997686)


   
   
   
   
   
   

1,3,5-Trihydroxy-4-prenylxanthone

1,3,5-Trihydroxy-4-prenylxanthone

C18H16O5 (312.0997686)


   
   
   
   

7,2,5-trimethoxyflavone

7,2,5-trimethoxyflavone

C18H16O5 (312.0997686)


   

Isohyenanchin

(1aS,1bR,2S,2R,5R,6S,6aR,7aR,8S)-Hexahydro-1b,6-dihydroxy-8-(1-hydroxy-1-methylethyl)-6a-methylspiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2-oxiran]-3(2H)-one; Hydroxycoriatin

C15H20O7 (312.120897)


   
   
   

Caloxanthone F

(-)-Caloxanthone F

C18H16O5 (312.0997686)


   

1,3,7-Trihydroxy-2-prenylxanthone

9H-Xanthen-9-one, 1,3,7-trihydroxy-2-(3-methyl-2-buten-1-yl)-

C18H16O5 (312.0997686)


1,3,7-Trihydroxy-2-prenylxanthone is a natural product found in Hypericum chinense, Garcinia forbesii, and other organisms with data available.

   
   

Pancixanthone B

Pancixanthone B

C18H16O5 (312.0997686)


A member of the class of xanthones that is a tetracyclic compound 1,2-dihydro-6H-furo[2,3-c]xanthen-6-one substituted by hydroxy groups at positions 5 and 10 and methyl groups at positions 1,1 and 2. It has been isolated from Calophyllum pauciflorum and Garcinia vieillardii.

   

4-(1,1-Dimethyl-2-propenyl)-1,2,7-trihydroxyxanthone

4-(1,1-Dimethyl-2-propenyl)-1,2,7-trihydroxyxanthone

C18H16O5 (312.0997686)


   

Sideroxylin

4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6,8-dimethyl-

C18H16O5 (312.0997686)


Sideroxylin is a monomethoxyflavone that is flavone substituted by a methoxy group at position 7, hydroxy groups at positions 5 and 4 and methyl groups at positions 6 and 8. It has been isolated from Hydrastis canadensis and Eucalyptus species. It has a role as a plant metabolite. It is a dihydroxyflavone and a monomethoxyflavone. It is functionally related to a flavone. Sideroxylin is a natural product found in Myrtus communis, Hydrastis canadensis, and other organisms with data available. A monomethoxyflavone that is flavone substituted by a methoxy group at position 7, hydroxy groups at positions 5 and 4 and methyl groups at positions 6 and 8. It has been isolated from Hydrastis canadensis and Eucalyptus species.

   

5,7,2-Trimethoxyflavone

5,7-Dimethoxy-2- (2-methoxyphenyl) -4H-1-benzopyran-4-one

C18H16O5 (312.0997686)


   

7,2,4-Trimethoxyflavone

2-(2,4-Dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one

C18H16O5 (312.0997686)


   

5,2-Dihydroxy-7-methoxy-6,8-dimethylflavone

5-Hydroxy-2- (2-hydroxyphenyl) -7-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one

C18H16O5 (312.0997686)


   

3-Formyl-4,6-dihydroxy-2-methoxy-5-methylchalcone

3-Formyl-4,6-dihydroxy-2-methoxy-5-methylchalcone

C18H16O5 (312.0997686)


   

5,7-Dihydroxy-3-methoxy-6,8-dimethylflavone

5,7-Dihydroxy-3-methoxy-6,8-dimethylflavone

C18H16O5 (312.0997686)


   

3,5-Dihydroxy-7-methoxy-6,8-dimethylflavone

3,5-Dihydroxy-7-methoxy-6,8-dimethylflavone

C18H16O5 (312.0997686)


   

Leridal chalcone

(E) -2,4-Dihydroxy-6-methoxy-5-methyl-3- (1-oxo-3-phenyl-2-propenyl) benzaldehyde

C18H16O5 (312.0997686)


   
   

5,7,8-Trimethoxyflavone

5,7,8-Trimethoxy-2-phenyl-4H-chromen-4-one

C18H16O5 (312.0997686)


Norwogonin 5,7,8-trimethyl ether is a natural product found in Uvaria welwitschii with data available.

   

Stemofuran O

Stemofuran O

C19H20O4 (312.13615200000004)


A natural product found in Stemona aphylla.

   

Desmosdumotin C

2- [ (1E,2E) -1-Hydroxy-3-phenyl-2-propenylidene ] -4,6,6-trimethyl-5-methoxy-4-cyclohexene-1,3-dione

C19H20O4 (312.13615200000004)


   
   
   

4-(Methylthio)-2-morpholino-6-phenylpyrimidine-5-carbonitrile

4-(Methylthio)-2-morpholino-6-phenylpyrimidine-5-carbonitrile

C16H16N4OS (312.1044766)


   

olanzapine

Olanzapine (Zyprexa)

C17H20N4S (312.14086000000003)


N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AH - Diazepines, oxazepines, thiazepines and oxepines D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D049990 - Membrane Transport Modulators CONFIDENCE standard compound; INTERNAL_ID 1517 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3697 Olanzapine (LY170053) is a selective, orally active monoaminergic antagonist with high affinity binding to serotonin H1, 5HT2A/2C, 5HT3, 5HT6 (Ki=7, 4, 11, 57, and 5 nM, respectively), dopamine D1-4 (Ki=11 to 31 nM), muscarinic M1-5 (Ki=1.9-25 nM), and adrenergic α1 receptor (Ki=19 nM). Olanzapine is an atypical antipsychotic[1][2].

   

N-Desmethylclozapine

N-Desmethylclozapine

C17H17ClN4 (312.1141672)


A dibenzodoazepine substituted with chloro and piperazino groups which is a major metabolite of clozapine; a potent and selective 5-HT2C serotonin receptor antagonist. N-Desmethylclozapine is a major active metabolite of the atypical antipsychotic agent Clozapine. N-Desmethylclozapine is a potent, allosteric and partial M1 receptors agonist (EC50=115 nM) and is able to potentiate hippocampal N-methyl-d-aspartate (NMDA) receptor currents through M1 receptor activation. N-Desmethylclozapine is also a δ-opioid agonist[1][2].

   

STA-4C (TENTATIVE)

STA-4C (TENTATIVE)

C15H20O5S (312.10313900000006)


TENTATIVELY IDENTIFIED SPECTRUM ONLY!!!!!!!!!; Extracted (without noise removal) from ZUG_N: mz311_10_rt9_61_HCD60_STA-4C; CONFIDENCE Tentative identification: isomers possible (Level 3)

   
   
   

nor-Dentatin

nor-Dentatin

C19H20O4 (312.13615200000004)


A natural product found in Clausena harmandiana.

   

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

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

C19H20O4 (312.13615200000004)


   

1-[2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone

1-[2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone

C15H20O7 (312.120897)


   

1-[2-(4-Fluorophenyl)acetyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide

1-[2-(4-Fluorophenyl)acetyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide

C18H17FN2O2 (312.1273994)


   

Me-STA3C

Me-STA3C

C15H20O5S (312.10313900000006)


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

   
   

7,12-dihydroxy-1,5(10),6,8,12-abietapentaene-11,14-dione|sanigerone

7,12-dihydroxy-1,5(10),6,8,12-abietapentaene-11,14-dione|sanigerone

C19H20O4 (312.13615200000004)


   
   

3-(2-hydroxymethyl-4-methoxyphenyl)-6-methoxy-4-quinazoline

3-(2-hydroxymethyl-4-methoxyphenyl)-6-methoxy-4-quinazoline

C17H16N2O4 (312.1110016)


   

5-O-beta-D-Galactopyranosyl-L-arabinose|O5-beta-D-Galactopyranosyl-L-arabinose

5-O-beta-D-Galactopyranosyl-L-arabinose|O5-beta-D-Galactopyranosyl-L-arabinose

C11H20O10 (312.105642)


   

alpha-Furanose-2-O-beta-D-Glucopyranosyl-L-arabinose

alpha-Furanose-2-O-beta-D-Glucopyranosyl-L-arabinose

C11H20O10 (312.105642)


   

beta-Galactopyranosyl-1,3-arabinose

beta-Galactopyranosyl-1,3-arabinose

C11H20O10 (312.105642)


   

2-O-beta-D-galactopyranosyl-D-xylose

2-O-beta-D-galactopyranosyl-D-xylose

C11H20O10 (312.105642)


   

3-deoxy-5-O-alpha-D-galactopyranosyl-D-threo-pentonic acid

3-deoxy-5-O-alpha-D-galactopyranosyl-D-threo-pentonic acid

C11H20O10 (312.105642)


   
   

3-O-beta-D-galactopyranosyl-L-arabinose

3-O-beta-D-galactopyranosyl-L-arabinose

C11H20O10 (312.105642)


   
   

methyl 2-[4-(alpha-L-rhamnopyranosyl)phenyl]acetate

methyl 2-[4-(alpha-L-rhamnopyranosyl)phenyl]acetate

C15H20O7 (312.120897)


   

1beta,2beta-epoxy-3beta,4alpha,8beta,10alpha-tetrahydroxyguaia-11(13)-en-12,6alpha-olide

1beta,2beta-epoxy-3beta,4alpha,8beta,10alpha-tetrahydroxyguaia-11(13)-en-12,6alpha-olide

C15H20O7 (312.120897)


   

1,5-Dibenzoyl-beta-Pyranose-2-O-beta-D-Apiofuranosyl-D-glucose

1,5-Dibenzoyl-beta-Pyranose-2-O-beta-D-Apiofuranosyl-D-glucose

C11H20O10 (312.105642)


   

2,6-dimethyl-8-[(2-oxo-2h-1-benzopyran-7-yl)oxy]-2,6-octadienal

2,6-dimethyl-8-[(2-oxo-2h-1-benzopyran-7-yl)oxy]-2,6-octadienal

C19H20O4 (312.13615200000004)


   
   
   
   
   

<5-(2-Methoxy-4-vinylphenyl)-3-furylmethyl>angelat|Angeloyl-4-Hydroxymethyl-2-(2-methoxy-5-vinylphenyl)-furan|[5-(2-Methoxy-4-vinylphenyl)-3-furylmethyl]angelat

<5-(2-Methoxy-4-vinylphenyl)-3-furylmethyl>angelat|Angeloyl-4-Hydroxymethyl-2-(2-methoxy-5-vinylphenyl)-furan|[5-(2-Methoxy-4-vinylphenyl)-3-furylmethyl]angelat

C19H20O4 (312.13615200000004)


   
   

(2R)-1-O-(2-phenylpropanoyl)-beta-D-glucopyranuronic acid|(2R)-phenylpropionyl beta-D-glucopyranoside|(R)-1PG|1-([(2R)-phenyl]propanoyl)-beta-D-glucopyranose

(2R)-1-O-(2-phenylpropanoyl)-beta-D-glucopyranuronic acid|(2R)-phenylpropionyl beta-D-glucopyranoside|(R)-1PG|1-([(2R)-phenyl]propanoyl)-beta-D-glucopyranose

C15H20O7 (312.120897)


   
   
   
   
   

2-carboxyl-4-(3-methyl-but-2-enyl)-5-methoxy-(1,1-biphenyl)-3-ol

2-carboxyl-4-(3-methyl-but-2-enyl)-5-methoxy-(1,1-biphenyl)-3-ol

C19H20O4 (312.13615200000004)


   

O1-((S)-1-phenyl-propyl)-beta-D-glucopyranuronic acid|O1-((S)-1-Phenyl-propyl)-beta-D-glucopyranuronsaeure

O1-((S)-1-phenyl-propyl)-beta-D-glucopyranuronic acid|O1-((S)-1-Phenyl-propyl)-beta-D-glucopyranuronsaeure

C15H20O7 (312.120897)


   
   

6-(4-hydroxy-6-oxo-8-phenyloct-1,7-dienyl)-5,6-dihydro-2H-pyran-2-one

6-(4-hydroxy-6-oxo-8-phenyloct-1,7-dienyl)-5,6-dihydro-2H-pyran-2-one

C19H20O4 (312.13615200000004)


   

4-O-beta-D-galactopyranosyl-D-xylose|4-O-beta-galactopyranosyl-D-xylose|O4-beta-D-Galactopyranosyl-D-xylose

4-O-beta-D-galactopyranosyl-D-xylose|4-O-beta-galactopyranosyl-D-xylose|O4-beta-D-Galactopyranosyl-D-xylose

C11H20O10 (312.105642)


   

Anticancer Stilbenoid PMV70P691-039

Anticancer Stilbenoid PMV70P691-039

C19H20O4 (312.13615200000004)


   
   

2,2,4,4-tetramethyl-6-(1-oxo-3-phenylprop-2-enyl)cyclohexane-1,3,5-trione|champanone A

2,2,4,4-tetramethyl-6-(1-oxo-3-phenylprop-2-enyl)cyclohexane-1,3,5-trione|champanone A

C19H20O4 (312.13615200000004)


   
   
   
   

(2RS)-2-O-(2-phenylpropinyl)-D-glucose

(2RS)-2-O-(2-phenylpropinyl)-D-glucose

C15H20O7 (312.120897)


   

1??,2??-Epoxy-3??,4??,9??,10??-tetrahydroxyguaia-11(13)-en-12,6??-olide

1??,2??-Epoxy-3??,4??,9??,10??-tetrahydroxyguaia-11(13)-en-12,6??-olide

C15H20O7 (312.120897)


   
   

(Z)-Diversin|5-Oxo-Delta3-aurapten|7-(3,7-dimethyl-5-oxoocta-3E,6-dienyloxy)coumarin

(Z)-Diversin|5-Oxo-Delta3-aurapten|7-(3,7-dimethyl-5-oxoocta-3E,6-dienyloxy)coumarin

C19H20O4 (312.13615200000004)


   

rel-(2Z,4E)-5-((1R,3R,4R,5S,8S)-1,5-dimethyl-3,4,8-trihydroxy-7-oxa-6-oxobicyclo[3.2.1]oct-8-yl)-3-methyl-2,4-pentadienoic acid

rel-(2Z,4E)-5-((1R,3R,4R,5S,8S)-1,5-dimethyl-3,4,8-trihydroxy-7-oxa-6-oxobicyclo[3.2.1]oct-8-yl)-3-methyl-2,4-pentadienoic acid

C15H20O7 (312.120897)


   

(4E)-1-(4-dihydroxy-phenyl)-7-(3,4-hydroxyphenyl)-heptene-3-one|(4E)-1-(4-hydroxyphenyl)-7-(3,4-dihydroxyphenyl)heptene-3-one|1-(4-hydroxyphenyl)-7-(3,4-dihydroxyphenyl)-4(E)-hepten-3-one|alusenone|alusenone 1a

(4E)-1-(4-dihydroxy-phenyl)-7-(3,4-hydroxyphenyl)-heptene-3-one|(4E)-1-(4-hydroxyphenyl)-7-(3,4-dihydroxyphenyl)heptene-3-one|1-(4-hydroxyphenyl)-7-(3,4-dihydroxyphenyl)-4(E)-hepten-3-one|alusenone|alusenone 1a

C19H20O4 (312.13615200000004)


   

4-butoxy-2,3-dihydroxy-2-(4-hydroxybenzyl)-4-oxobutanoic acid

4-butoxy-2,3-dihydroxy-2-(4-hydroxybenzyl)-4-oxobutanoic acid

C15H20O7 (312.120897)


   

9-(Methylamino)-8H-benzo[b]pyrido[4,3,2-de][1,10]phenanthroline-8-one

9-(Methylamino)-8H-benzo[b]pyrido[4,3,2-de][1,10]phenanthroline-8-one

C19H12N4O (312.1011062)


   

3-methoxy-4-hydroxy-5,7-epoxy-8,4-oxyneolign-7E-ene

3-methoxy-4-hydroxy-5,7-epoxy-8,4-oxyneolign-7E-ene

C19H20O4 (312.13615200000004)


   
   

(2R, 3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-hydroxy-3-methyl-5-(E)-propenylbenzofuran|callislignan A

(2R, 3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-hydroxy-3-methyl-5-(E)-propenylbenzofuran|callislignan A

C19H20O4 (312.13615200000004)


   

11-O-Methylisocorniculatolide A

11-O-Methylisocorniculatolide A

C19H20O4 (312.13615200000004)


   
   

ethyl 2-(4-hydroxybenzyl)tartrate

ethyl 2-(4-hydroxybenzyl)tartrate

C15H20O7 (312.120897)


   

5-O-beta-D-Galactopyranosyl-L-arabinose

5-O-beta-D-Galactopyranosyl-L-arabinose

C11H20O10 (312.105642)


   
   
   

8-Oxo-6-hydroxydihydrophaseic acid

8-Oxo-6-hydroxydihydrophaseic acid

C15H20O7 (312.120897)


   
   

(E)-3-(3-methyl-2-butenyloxy)-3,4,5-trihydroxystilbene

(E)-3-(3-methyl-2-butenyloxy)-3,4,5-trihydroxystilbene

C19H20O4 (312.13615200000004)


   

(E)-2-(3-methyl-2-buten-1-yl)-3,3,4,5-tetrahydroxystilbene

(E)-2-(3-methyl-2-buten-1-yl)-3,3,4,5-tetrahydroxystilbene

C19H20O4 (312.13615200000004)


   
   
   

5-(3-methoxy-1-propen-1-yl)-3-[4-(2-propen-1-yl)phenoxy]-1,2-benzenediol|9-methoxyobovatol

5-(3-methoxy-1-propen-1-yl)-3-[4-(2-propen-1-yl)phenoxy]-1,2-benzenediol|9-methoxyobovatol

C19H20O4 (312.13615200000004)


   
   

(1R,3R,5S,6E)-1,7-bis(4-hydroxyphenyl)-1,5-epoxy-3-hydroxyhept-6-ene

(1R,3R,5S,6E)-1,7-bis(4-hydroxyphenyl)-1,5-epoxy-3-hydroxyhept-6-ene

C19H20O4 (312.13615200000004)


   

methyl 1-(methyl propionate)-beta-carboline-3-carboxylate

methyl 1-(methyl propionate)-beta-carboline-3-carboxylate

C17H16N2O4 (312.1110016)


   

4,12-dihydroxy-2-oxatricyclo[13.2.2.13,7]icosa-3,5,7(20),15,17,18-hexaen-10-one|9-oxoacerogenin A

4,12-dihydroxy-2-oxatricyclo[13.2.2.13,7]icosa-3,5,7(20),15,17,18-hexaen-10-one|9-oxoacerogenin A

C19H20O4 (312.13615200000004)


   
   

2-(3-hydroxy-4,5-dimethoxy-phenyl)ethyl 5-hydroxy-4-oxo-pentanoate

2-(3-hydroxy-4,5-dimethoxy-phenyl)ethyl 5-hydroxy-4-oxo-pentanoate

C15H20O7 (312.120897)


   
   

2-hydroxy-1,7-bis[4-hydroxyphenyl]-3-hepten-5-one

2-hydroxy-1,7-bis[4-hydroxyphenyl]-3-hepten-5-one

C19H20O4 (312.13615200000004)


   

5-Me ether,7-Ac-(S)-5,7-Dihydroxy-6-methylflavan

5-Me ether,7-Ac-(S)-5,7-Dihydroxy-6-methylflavan

C19H20O4 (312.13615200000004)


   
   

Di-Ac-2-(3-Methyl-2-butenyl)-1,4-naphthalenediol

Di-Ac-2-(3-Methyl-2-butenyl)-1,4-naphthalenediol

C19H20O4 (312.13615200000004)


   
   

13,15-Diacetoxy-pentadeca-8,10-dien-2,4,6-triin|13,15-diacetoxy-pentadeca-8,10-diene-2,4,6-triyne|Centaur X(1)

13,15-Diacetoxy-pentadeca-8,10-dien-2,4,6-triin|13,15-diacetoxy-pentadeca-8,10-diene-2,4,6-triyne|Centaur X(1)

C19H20O4 (312.13615200000004)


   
   

4-O-beta-D-Galactopyranosyl-D-xylose

4-O-beta-D-Galactopyranosyl-D-xylose

C11H20O10 (312.105642)


   

6-hydroxy-7-[(E,E)-3,7-dimethyl-2,4,7-octatrienyloxy]coumarin

6-hydroxy-7-[(E,E)-3,7-dimethyl-2,4,7-octatrienyloxy]coumarin

C19H20O4 (312.13615200000004)


   
   

Delta8,9-decarboxyfibleucin|fibrauretin D

Delta8,9-decarboxyfibleucin|fibrauretin D

C19H20O4 (312.13615200000004)


   
   

15-deschloro-15-hydroperoxychlorohyssopifolin B

15-deschloro-15-hydroperoxychlorohyssopifolin B

C15H20O7 (312.120897)


   

butyl 2-[(benzoyloxy)methyl]benzoate|n-butyl 2-benzoyloxymethylbenzoate|spatozoate

butyl 2-[(benzoyloxy)methyl]benzoate|n-butyl 2-benzoyloxymethylbenzoate|spatozoate

C19H20O4 (312.13615200000004)


   
   
   

1,2,6,7,8,9-Hexahydro-1,6,6-trimethyl-3,11-dioxanaphth[2,1-e]azulene-10,12-dione

1,2,6,7,8,9-Hexahydro-1,6,6-trimethyl-3,11-dioxanaphth[2,1-e]azulene-10,12-dione

C19H20O4 (312.13615200000004)


   
   

4-O-beta-D-Xylopyranosyl-D-mannose

4-O-beta-D-Xylopyranosyl-D-mannose

C11H20O10 (312.105642)


   

1-(2-hydroxy-6-[(1E)-2-(4-hydroxyphenyl)ethenyl]-4-methoxyphenyl)-2-methyl-1-propanone|1-{2-hydroxy-6-[(1E)-2-(4-hydroxyphenyl)ethenyl]-4-methoxyphenyl}-2-methyl-1-propanone

1-(2-hydroxy-6-[(1E)-2-(4-hydroxyphenyl)ethenyl]-4-methoxyphenyl)-2-methyl-1-propanone|1-{2-hydroxy-6-[(1E)-2-(4-hydroxyphenyl)ethenyl]-4-methoxyphenyl}-2-methyl-1-propanone

C19H20O4 (312.13615200000004)


   
   
   

Macaline A

1H-Imidazolium, 4,5-dimethyl-1,3-bis(phenylmethyl)-, chloride (1:1)

C19H21ClN2 (312.1393176)


See also: Lepidium meyenii root (part of). Lepidiline A shows cytotoxic activity against HL-60 cells with an IC50 of 32.3 μM.

   

2, 4-Dihydroxy-allylbenzene-2-O-β-D-glucopyranoside

2, 4-Dihydroxy-allylbenzene-2-O-|A-D-glucopyranoside

C15H20O7 (312.120897)


   

Norclozapine

N-Desmethylclozapine

C17H17ClN4 (312.1141672)


D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants CONFIDENCE standard compound; INTERNAL_ID 1563 INTERNAL_ID 1563; CONFIDENCE standard compound CONFIDENCE standard compound; EAWAG_UCHEM_ID 3607 N-Desmethylclozapine is a major active metabolite of the atypical antipsychotic agent Clozapine. N-Desmethylclozapine is a potent, allosteric and partial M1 receptors agonist (EC50=115 nM) and is able to potentiate hippocampal N-methyl-d-aspartate (NMDA) receptor currents through M1 receptor activation. N-Desmethylclozapine is also a δ-opioid agonist[1][2].

   

5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one

NCGC00347365-02!5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one

C19H20O4 (312.13615200000004)


   

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

NCGC00385672-01!(E)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one

C19H20O4 (312.13615200000004)


   

C15H20O7_beta-D-Glucopyranoside, (2E)-3-(4-hydroxyphenyl)-2-propen-1-yl

NCGC00385488-01_C15H20O7_beta-D-Glucopyranoside, (2E)-3-(4-hydroxyphenyl)-2-propen-1-yl

C15H20O7 (312.120897)


   

C15H20O7_2-Acetyl-3-methylphenyl beta-D-glucopyranoside

NCGC00381090-01_C15H20O7_2-Acetyl-3-methylphenyl beta-D-glucopyranoside

C15H20O7 (312.120897)


   
   

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4,5-triol

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4,5-triol

C15H20O7 (312.120897)


   

5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one

5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one

C19H20O4 (312.13615200000004)


   

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoxy]oxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoxy]oxane-3,4,5-triol

C15H20O7 (312.120897)


   

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

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

C19H20O4 (312.13615200000004)


   
   

CID 440908

(1S,2R,3S,10R,11S)-3,10,11-trihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2-oxirane]-4-one

C15H20O7 (312.120897)


D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Reference Standard (Level 1)

   

5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000846817]

NCGC00347365-02!5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000846817]

C19H20O4 (312.13615200000004)


   

5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one [IIN-based: Match]

NCGC00347365-02!5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one [IIN-based: Match]

C19H20O4 (312.13615200000004)


   

NEOPENTYL GLYCOL DIBENZOATE

NEOPENTYL GLYCOL DIBENZOATE

C19H20O4 (312.13615200000004)


CONFIDENCE standard compound; INTERNAL_ID 812; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10022; ORIGINAL_PRECURSOR_SCAN_NO 10019 CONFIDENCE standard compound; INTERNAL_ID 812; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10040; ORIGINAL_PRECURSOR_SCAN_NO 10037 CONFIDENCE standard compound; INTERNAL_ID 812; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10068; ORIGINAL_PRECURSOR_SCAN_NO 10063 CONFIDENCE standard compound; INTERNAL_ID 812; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10088; ORIGINAL_PRECURSOR_SCAN_NO 10086 CONFIDENCE standard compound; INTERNAL_ID 812; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10122; ORIGINAL_PRECURSOR_SCAN_NO 10118 CONFIDENCE standard compound; INTERNAL_ID 812; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10091; ORIGINAL_PRECURSOR_SCAN_NO 10086

   

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4,5-triol_major

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]phenoxy]oxane-3,4,5-triol_major

C15H20O7 (312.120897)


   

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoxy]oxane-3,4,5-triol_major

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoxy]oxane-3,4,5-triol_major

C15H20O7 (312.120897)


   

1-[2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone_major

1-[2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone_major

C15H20O7 (312.120897)


   

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoxy]oxane-3,4,5-triol_73.9\\%

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoxy]oxane-3,4,5-triol_73.9\\%

C15H20O7 (312.120897)


   

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoxy]oxane-3,4,5-triol_47.6\\%

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoxy]oxane-3,4,5-triol_47.6\\%

C15H20O7 (312.120897)


   

Galactosyl-1,4-xylose

Galactose-beta-1,4-xylose

C11H20O10 (312.105642)


   

Met-tyr

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

C14H20N2O4S (312.11437200000006)


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

   

Tyr-met

2-[2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

C14H20N2O4S (312.11437200000006)


A dipeptide obtained by formal condensation of the carboxy group of L-tyrosine with the amino group of L-methionine.

   

4-(3-Methyl-1-butenyl)-3,3',4',5-tetrahydroxystilbene

5-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]-2-[(1E)-3-methylbut-1-en-1-yl]benzene-1,3-diol

C19H20O4 (312.13615200000004)


   

Moringyne

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2,6-dimethylbenzoate

C15H20O7 (312.120897)


   

honyudisin

5-Hydroxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one, 9CI

C19H20O4 (312.13615200000004)


   

3-Hydroxychavicol 1-glucoside

2-[2-hydroxy-4-(prop-2-en-1-yl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C15H20O7 (312.120897)


   

Gancaonin V

8-(3-Methyl-but-2-enyl)-9,10-dihydro-phenanthrene-2,3,5,7-tetraol

C19H20O4 (312.13615200000004)


   

Dictyoquinazol A

3-[2-(hydroxymethyl)-4-methoxyphenyl]-6-methoxy-3,4-dihydroquinazolin-4-one

C17H16N2O4 (312.1110016)


   

2-Acetyl-3-methylphenyl ?-D-glucopyranoside

2-Acetyl-3-methylphenyl ?-D-glucopyranoside

C15H20O7 (312.120897)


   

10-PHENOXYDECYL BROMIDE

10-PHENOXYDECYL BROMIDE

C16H25BrO (312.108866)


   

1-Benzyl-4-cyano-4-phenylpiperidine HCl

1-Benzyl-4-cyano-4-phenylpiperidine HCl

C19H21ClN2 (312.1393176)


   

5-Triphenylmethyl-1H-tetrazole

5-Triphenylmethyl-1H-tetrazole

C20H16N4 (312.1374896)


   

(3BETA,5BETA,16BETA)-3-[(6-DEOXY-3-O-METHYL-D-GALACTOPYRANOSYL)OXY]-14,16-DIHYDROXYCARD-20(22)-ENOLIDE

(3BETA,5BETA,16BETA)-3-[(6-DEOXY-3-O-METHYL-D-GALACTOPYRANOSYL)OXY]-14,16-DIHYDROXYCARD-20(22)-ENOLIDE

C14H20N2O4S (312.11437200000006)


   

1,2-Ethanediamine,N1,N2-bis(phenylmethyl)-, hydrochloride (1:2)

1,2-Ethanediamine,N1,N2-bis(phenylmethyl)-, hydrochloride (1:2)

C16H22Cl2N2 (312.1159952)


   
   

2-CHLORO-1-(TETRAHYDRO-2H-PYRAN-2-YL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-IMIDAZOLE

2-CHLORO-1-(TETRAHYDRO-2H-PYRAN-2-YL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-IMIDAZOLE

C14H22BClN2O3 (312.1411922)


   

2,4,8,10-Tetraoxaspiro[5.5]undecane,3,9-diphenyl-

2,4,8,10-Tetraoxaspiro[5.5]undecane,3,9-diphenyl-

C19H20O4 (312.13615200000004)


   

1,1,3,3,5,5,7,7,7-nonamethyltetrasiloxanol

1,1,3,3,5,5,7,7,7-nonamethyltetrasiloxanol

C9H28O4Si4 (312.10646080000004)


   

5-bromo-1,3-dimethyl-2-octoxybenzene

5-bromo-1,3-dimethyl-2-octoxybenzene

C16H25BrO (312.108866)


   

6-TERT-BUTYL 3-METHYL 2-AMINO-4,5-DIHYDROTHIENO[2,3-C]PYRIDINE-3,6(7H)-DICARBOXYLATE

6-TERT-BUTYL 3-METHYL 2-AMINO-4,5-DIHYDROTHIENO[2,3-C]PYRIDINE-3,6(7H)-DICARBOXYLATE

C14H20N2O4S (312.11437200000006)


   

1-BOC-4-[(6-CHLOROPYRIDAZIN-3-YL)AMINO]PIPERIDINE

1-BOC-4-[(6-CHLOROPYRIDAZIN-3-YL)AMINO]PIPERIDINE

C14H21ClN4O2 (312.1352956)


   

tert-butyl 3-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate

tert-butyl 3-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate

C14H21ClN4O2 (312.1352956)


   

TERT-BUTYL (1-(6-CHLOROPYRIMIDIN-4-YL)PIPERIDIN-4-YL)CARBAMATE

TERT-BUTYL (1-(6-CHLOROPYRIMIDIN-4-YL)PIPERIDIN-4-YL)CARBAMATE

C14H21ClN4O2 (312.1352956)


   

3,3-Diethylbenzidine Dihydrochloride

3,3-Diethylbenzidine Dihydrochloride

C16H22Cl2N2 (312.1159952)


   

Ethyl 4,6-O-benzylidene-1-thio-b-D-glucopyranoside

Ethyl 4,6-O-benzylidene-1-thio-b-D-glucopyranoside

C15H20O5S (312.10313900000006)


   

TERT-BUTYL 4-(6-CHLORO-2-METHYL-4-PYRIMIDINYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE

TERT-BUTYL 4-(6-CHLORO-2-METHYL-4-PYRIMIDINYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE

C14H21ClN4O2 (312.1352956)


   

6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(TRIMETHYLSILYL)FURO[3,2-B]PYRIDINE

6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(TRIMETHYLSILYL)FURO[3,2-B]PYRIDINE

C14H16BF3N2O2 (312.12568619999996)


   
   

n-boc-(1r,2r)-(-)-2-amino-1-(4-nitrophe&

n-boc-(1r,2r)-(-)-2-amino-1-(4-nitrophe&

C14H20N2O6 (312.13213)


   

5-tert-butyl 2-ethyl 6,7-dihydrothiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate

5-tert-butyl 2-ethyl 6,7-dihydrothiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate

C14H20N2O4S (312.11437200000006)


   

3,5-di-O-Acetyl-2-deoxy-5-azacytosine

3,5-di-O-Acetyl-2-deoxy-5-azacytosine

C12H16N4O6 (312.1069796)


   

(S)-4-TERT-BUTYLOXAZOLIDINE-2,5-DIONE

(S)-4-TERT-BUTYLOXAZOLIDINE-2,5-DIONE

C12H16N4O6 (312.1069796)


   

(4-((2-(PIPERIDIN-1-YL)ETHYL)CARBAMOYL)PHENYL)BORONIC ACID HYDROCHLORIDE

(4-((2-(PIPERIDIN-1-YL)ETHYL)CARBAMOYL)PHENYL)BORONIC ACID HYDROCHLORIDE

C14H22BClN2O3 (312.1411922)


   
   

5,5-BIS-(4-METHOXY-PHENYL)-IMIDAZOLIDINE-2,4-DIONE

5,5-BIS-(4-METHOXY-PHENYL)-IMIDAZOLIDINE-2,4-DIONE

C17H16N2O4 (312.1110016)


   

2,4,6-tri-4-pyridyl-1,3,5-triazine

2,4,6-Tri(4-pyridyl)-1,3,5-triazine

C18H12N6 (312.1123392)


   

DIETHYLSTILBESTROL DISODIUM SALT

DIETHYLSTILBESTROL DISODIUM SALT

C18H18Na2O2 (312.1102128)


   

N-(3,4-dichlorophenyl)-3-azaspiro[5.5]undecan-9-amine

N-(3,4-dichlorophenyl)-3-azaspiro[5.5]undecan-9-amine

C16H22Cl2N2 (312.1159952)


   

3-(3,4-dichlorophenyl)-9-methyl-3,9-diazaspiro[5.5]undecane

3-(3,4-dichlorophenyl)-9-methyl-3,9-diazaspiro[5.5]undecane

C16H22Cl2N2 (312.1159952)


   

4-Ethyl-2,3,4-trifluoro-1,1:4,1-terphenyl

4-Ethyl-2,3,4-trifluoro-1,1:4,1-terphenyl

C20H15F3 (312.1125786)


   

tert-butyl [1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate

tert-butyl [1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate

C14H21ClN4O2 (312.1352956)


   

benzyl (1-(methylsulfonyl)piperidin-4-yl)carbamate

benzyl (1-(methylsulfonyl)piperidin-4-yl)carbamate

C14H20N2O4S (312.11437200000006)


   

Urea,N,N-di-1-naphthalenyl-

Urea,N,N-di-1-naphthalenyl-

C21H16N2O (312.1262566)


   

(AMINOMETHYL)TRIMETHYLSILANE

(AMINOMETHYL)TRIMETHYLSILANE

C15H20O7 (312.120897)


   

2,2-Propanediyldi-4,1-phenylene diacetate

2,2-Propanediyldi-4,1-phenylene diacetate

C19H20O4 (312.13615200000004)


   
   

N-T-BOC-L-PROLINE-N-HYDROXYSUCCINIMIDE ESTER

N-T-BOC-L-PROLINE-N-HYDROXYSUCCINIMIDE ESTER

C14H20N2O6 (312.13213)


   
   
   
   

[1-(2-CHLORO-PYRIMIDIN-4-YL)-PIPERIDIN-4-YL]-CARBAMIC ACID TERT-BUTYL ESTER

[1-(2-CHLORO-PYRIMIDIN-4-YL)-PIPERIDIN-4-YL]-CARBAMIC ACID TERT-BUTYL ESTER

C14H21ClN4O2 (312.1352956)


   

2,3-bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile,chloride

2,3-bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile,chloride

C16H15ClN5 (312.101592)


   

tert-Butyl 4-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate

tert-Butyl 4-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate

C14H21ClN4O2 (312.1352956)


   

Ethyl4,6-O-benzylidene-b-D-thiogalactopyranoside

Ethyl4,6-O-benzylidene-b-D-thiogalactopyranoside

C15H20O5S (312.10313900000006)


   

1-Benzyl-4-phenylpiperidine-4-carbonitrile

1-Benzyl-4-phenylpiperidine-4-carbonitrile

C19H21ClN2 (312.1393176)


   

2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde

2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde

C14H20N2O4S (312.11437200000006)


   

4-Piperdinyl-N-oxoethylpiperdine dihydrochloride

4-Piperdinyl-N-oxoethylpiperdine dihydrochloride

C13H26Cl2N2O2 (312.1371236)


   

1-Hexyl-3-methylimidazolium Hexafluorophosphate

1-Hexyl-3-methylimidazolium Hexafluorophosphate

C10H19F6N2P (312.1189976)


   

6,7-Dimethyl-2,3-di-2-pyridylquinoxaline

Quinoxaline,6,7-dimethyl-2,3-di-2-pyridinyl-

C20H16N4 (312.1374896)


   

3-O-beta-D-Galactopyranosyl-D-arabinose

3-O-BETA-D-GALACTO-PYRANOSYL-D-ARABINOSE

C11H20O10 (312.105642)


   

4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid methyl ester

4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid methyl ester

C16H16N4O3 (312.12223459999996)


   

[4-(6-BROMO-HEXYLOXY)-BUTYL]-BENZENE

[4-(6-BROMO-HEXYLOXY)-BUTYL]-BENZENE

C16H25BrO (312.108866)


   

Bis(4-glycidyloxyphenyl)methane

2,2-[methylenebis(p-phenyleneoxymethylene)]bisoxirane

C19H20O4 (312.13615200000004)


   

(3-BOC-AMINO-AZETIDIN-1-YL)-(1H-INDOL-2-YL)-ACETICACID

(3-BOC-AMINO-AZETIDIN-1-YL)-(1H-INDOL-2-YL)-ACETICACID

C14H20N2O4S (312.11437200000006)


   

2-(1-(tert-Butoxycarbonyl)piperidin-4-yl)thiazole-4-carboxylic acid

2-(1-(tert-Butoxycarbonyl)piperidin-4-yl)thiazole-4-carboxylic acid

C14H20N2O4S (312.11437200000006)


   

4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-ol

4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-ol

C16H13FN4O2 (312.102249)


   

Tetrahydrobisdemethoxydiferuloylmethane

Tetrahydrobisdemethoxydiferuloylmethane

C19H20O4 (312.13615200000004)


   

3-cyclopentyloxy-5-phenylmethoxybenzoic acid

3-cyclopentyloxy-5-phenylmethoxybenzoic acid

C19H20O4 (312.13615200000004)


   

2,3-Dihydro-2-spiro-7-[8-imino-7,8-dihydronaphthalen-1-amine]perimidine

2,3-Dihydro-2-spiro-7-[8-imino-7,8-dihydronaphthalen-1-amine]perimidine

C20H16N4 (312.1374896)


   

4-(4,5-Diphenyl-1H-imidazol-2-yl)phenol

4-(4,5-Diphenyl-1H-imidazol-2-yl)phenol

C21H16N2O (312.1262566)


   

2,2-[Methylenebis(2,1-phenyleneoxymethylene)]dioxirane

2,2-[Methylenebis(2,1-phenyleneoxymethylene)]dioxirane

C19H20O4 (312.13615200000004)


   

7-oxo-7-(3-phenoxyphenyl)heptanoic acid

7-oxo-7-(3-phenoxyphenyl)heptanoic acid

C19H20O4 (312.13615200000004)


   
   
   

2-[1-(tert-butoxycarbonyl)-4-piperidinyl]-1,3-thiazole-4-carboxylic acid

2-[1-(tert-butoxycarbonyl)-4-piperidinyl]-1,3-thiazole-4-carboxylic acid

C14H20N2O4S (312.11437200000006)


   

Methyl 4-(benzyloxy)-3-(cyclopropylMethoxy)benzoate

Methyl 4-(benzyloxy)-3-(cyclopropylMethoxy)benzoate

C19H20O4 (312.13615200000004)


   

4-Ethyl-2,3,5-trifluoro-1,1:4,1-terphenyl

4-Ethyl-2,3,5-trifluoro-1,1:4,1-terphenyl

C20H15F3 (312.1125786)


   

N-(4-Amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide, HCl

N-(4-Amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide, HCl

C14H22BClN2O3 (312.1411922)


   
   

(3-((2-(PIPERIDIN-1-YL)ETHYL)CARBAMOYL)PHENYL)BORONIC ACID HYDROCHLORIDE

(3-((2-(PIPERIDIN-1-YL)ETHYL)CARBAMOYL)PHENYL)BORONIC ACID HYDROCHLORIDE

C14H22BClN2O3 (312.1411922)


   

Clazolam

isoquinazepon

C18H17ClN2O (312.1029342)


C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent

   

3,3,5,5-Tetramethylbenzidine dihydrochloride

3,3,5,5-Tetramethylbenzidine dihydrochloride

C16H22Cl2N2 (312.1159952)


   

ethyl-4-(triethoxysilyl) benzoate

ethyl-4-(triethoxysilyl) benzoate

C15H24O5Si (312.1392934)


   

1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-tri-2-propen-1-yl ester

1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2,3-tri-2-propen-1-yl ester

C15H20O7 (312.120897)


   
   

Pirbuterol hydrochloride

Pirbuterol hydrochloride

C12H22Cl2N2O3 (312.1007402)


D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents

   
   

5-Deoxy-5-(dimethyl-lambda~4~-sulfanyl)adenosine

5-Deoxy-5-(dimethyl-lambda~4~-sulfanyl)adenosine

C12H18N5O3S+ (312.11302980000005)


   

(1R,2S,4R,5S)-6-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol

(1R,2S,4R,5S)-6-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol

C11H20O10 (312.105642)


   
   

Bis(trimethylsilyl)isovanillate

Bis(trimethylsilyl)isovanillate

C14H24O4Si2 (312.1213064)


   

4-Methyl-2,4,6-trimethoxychalcone

4-Methyl-2,4,6-trimethoxychalcone

C19H20O4 (312.13615200000004)


   

N-[2-(2-methylpropyl)-1,3-dioxo-5-isoindolyl]-2-furancarboxamide

N-[2-(2-methylpropyl)-1,3-dioxo-5-isoindolyl]-2-furancarboxamide

C17H16N2O4 (312.1110016)


   
   

2-Propenamide, N-(4-ethoxyphenyl)-3-(3-nitrophenyl)-

2-Propenamide, N-(4-ethoxyphenyl)-3-(3-nitrophenyl)-

C17H16N2O4 (312.1110016)


   
   

alpha-Glucopyranosyl alpha-xylopyranoside

alpha-Glucopyranosyl alpha-xylopyranoside

C11H20O10 (312.105642)


   

5,22-Dihydroporphyrin

5,22-Dihydroporphyrin

C20H16N4 (312.1374896)


   

2-Phenyl-5-sulfanylidene-3,7,8,9,10,11-hexahydropyrazolo[4,5]pyrimido[3,5-a]azepin-1-one

2-Phenyl-5-sulfanylidene-3,7,8,9,10,11-hexahydropyrazolo[4,5]pyrimido[3,5-a]azepin-1-one

C16H16N4OS (312.1044766)


   

5-Chloro-4-[methoxy(phenyl)methyl]-1-methyl-3-phenylpyrazole

5-Chloro-4-[methoxy(phenyl)methyl]-1-methyl-3-phenylpyrazole

C18H17ClN2O (312.1029342)


   

2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]oxy-N-(3-methylphenyl)acetamide

2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]oxy-N-(3-methylphenyl)acetamide

C17H16N2O4 (312.1110016)


   

1,7-Bis(4-hydroxyphenyl)-5-hydroxy-1-heptene-3-one

1,7-Bis(4-hydroxyphenyl)-5-hydroxy-1-heptene-3-one

C19H20O4 (312.13615200000004)


   

Dimethyl(dinaphthalen-1-yl)silane

Dimethyl(dinaphthalen-1-yl)silane

C22H20Si (312.13342)


   

Benzoic acid, 3-methoxy-4-[(trimethylsilyl)oxy]-, trimethylsilyl ester

Benzoic acid, 3-methoxy-4-[(trimethylsilyl)oxy]-, trimethylsilyl ester

C14H24O4Si2 (312.1213064)


   

2-Amino-6-aminomethyl-8-phenylsulfanylmethyl-3H-quinazolin-4-one

2-Amino-6-aminomethyl-8-phenylsulfanylmethyl-3H-quinazolin-4-one

C16H16N4OS (312.1044766)


   

(7R,8S)-8-amino-7-{[(phosphonooxy)carbonyl]amino}nonanoic acid

(7R,8S)-8-amino-7-{[(phosphonooxy)carbonyl]amino}nonanoic acid

C10H21N2O7P (312.1086326)


   

1-Ethyl-4-(methoxycarbonylmethyl)tetralin-6-sulfonic acid

1-Ethyl-4-(methoxycarbonylmethyl)tetralin-6-sulfonic acid

C15H20O5S (312.10313900000006)


   

6-O-alpha-D-xylopyranosyl-D-glucopyranose

6-O-alpha-D-xylopyranosyl-D-glucopyranose

C11H20O10 (312.105642)


   

beta-D-apiofuranosyl-(1->6)-D-glucose

beta-D-apiofuranosyl-(1->6)-D-glucose

C11H20O10 (312.105642)


   
   

[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-[2-hydroxy-2-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]ethyl]oxan-3-yl]azanium

[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-[2-hydroxy-2-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]ethyl]oxan-3-yl]azanium

C11H22NO9+ (312.1294502)


   

D-Glucose, 6-O-(c)micro-D-xylopyranosyl-;6-O-(c)micro-D-Xylopyranosyl-D-glucose

D-Glucose, 6-O-(c)micro-D-xylopyranosyl-;6-O-(c)micro-D-Xylopyranosyl-D-glucose

C11H20O10 (312.105642)


   

22,24-Dihydro-21H,23H-porphyrin

22,24-Dihydro-21H,23H-porphyrin

C20H16N4 (312.1374896)


   

2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dimethylpurin-9-ium-6-one

2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dimethylpurin-9-ium-6-one

C12H18N5O5+ (312.1307878)


   

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

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

C14H20N2O4S (312.11437200000006)


   

2-[2-Hydroxy-2-(3,4,5-trihydroxyoxolan-2-yl)ethoxy]oxane-3,4,5-triol

2-[2-Hydroxy-2-(3,4,5-trihydroxyoxolan-2-yl)ethoxy]oxane-3,4,5-triol

C11H20O10 (312.105642)


   
   

N-(4-methylphenyl)-2-pyridin-4-yl-4-quinazolinamine

N-(4-methylphenyl)-2-pyridin-4-yl-4-quinazolinamine

C20H16N4 (312.1374896)


   

6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose

6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose

C11H20O10 (312.105642)


   

1-Cyclopentyl-3-(2-phenoxyphenyl)thiourea

1-Cyclopentyl-3-(2-phenoxyphenyl)thiourea

C18H20N2OS (312.129627)


   

5-methyl-6-pyridin-4-yl-6H-benzimidazolo[1,2-c]quinazoline

5-methyl-6-pyridin-4-yl-6H-benzimidazolo[1,2-c]quinazoline

C20H16N4 (312.1374896)


   

(3-Hydroxyphenyl)-[4-(phenylmethyl)-1-piperazinyl]methanethione

(3-Hydroxyphenyl)-[4-(phenylmethyl)-1-piperazinyl]methanethione

C18H20N2OS (312.129627)


   

6-Amino-3-(methoxymethyl)-4-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-Amino-3-(methoxymethyl)-4-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C16H16N4O3 (312.12223459999996)


   

6-methyl-6-pyridin-4-yl-12H-benzimidazolo[1,2-c]quinazoline

6-methyl-6-pyridin-4-yl-12H-benzimidazolo[1,2-c]quinazoline

C20H16N4 (312.1374896)


   

beta-Isoprimeverose

beta-Isoprimeverose

C11H20O10 (312.105642)


   

Juniperoside III

Juniperoside III

C15H20O7 (312.120897)


   
   

N-(4-chlorophenyl)-5-hex-1-ynylpyridine-3-carboxamide

N-(4-chlorophenyl)-5-hex-1-ynylpyridine-3-carboxamide

C18H17ClN2O (312.1029342)


   

1-Cyclopentyl-3-(4-phenoxyphenyl)thiourea

1-Cyclopentyl-3-(4-phenoxyphenyl)thiourea

C18H20N2OS (312.129627)


   

5-(3,5-Dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole

5-(3,5-Dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole

C17H16N2O4 (312.1110016)


   

Sambubiose

2-O-(β-D-Xylopyranosyl)-D-glucose

C11H20O10 (312.105642)


   

6-butyl-2-(2-furyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione

6-butyl-2-(2-furyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione

C16H16N4O3 (312.12223459999996)


   

1-acetyl-N-(3-methoxypropyl)-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-(3-methoxypropyl)-2,3-dihydroindole-5-sulfonamide

C14H20N2O4S (312.11437200000006)


   

beta-D-apiofuranosyl-(1->6)-D-glucopyranose

beta-D-apiofuranosyl-(1->6)-D-glucopyranose

C11H20O10 (312.105642)


   

3-O-Alpha-D-Xylopyranosyl-Beta-D-Glucopyranose

3-O-Alpha-D-Xylopyranosyl-Beta-D-Glucopyranose

C11H20O10 (312.105642)


   

N-(4-tert-butyl-2-thiazolyl)-6-quinoxalinecarboxamide

N-(4-tert-butyl-2-thiazolyl)-6-quinoxalinecarboxamide

C16H16N4OS (312.1044766)


   

N-(2-furanylmethyl)-1,3-dioxo-2-propyl-5-isoindolecarboxamide

N-(2-furanylmethyl)-1,3-dioxo-2-propyl-5-isoindolecarboxamide

C17H16N2O4 (312.1110016)


   

N,N-dimethyl-N-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3(4H)-yl)imidoformamide

N,N-dimethyl-N-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3(4H)-yl)imidoformamide

C16H16N4OS (312.1044766)


   

6-O-alpha-l-arabinofuranosyl-beta-d-glucopyranose

6-O-alpha-l-arabinofuranosyl-beta-d-glucopyranose

C11H20O10 (312.105642)


   

4-[2-(3-Fluorophenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]morpholine

4-[2-(3-Fluorophenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]morpholine

C17H17FN4O (312.1386324)


   

3-O-beta-D-galactopyranosyl-D-xylopyranose

3-O-beta-D-galactopyranosyl-D-xylopyranose

C11H20O10 (312.105642)


   
   
   
   

N-[4-cyano-1-(4-fluorophenyl)-1H-pyrazol-5-yl]cyclohexanecarboxamide

N-[4-cyano-1-(4-fluorophenyl)-1H-pyrazol-5-yl]cyclohexanecarboxamide

C17H17FN4O (312.1386324)


   

2-O-beta-D-xylosyl-D-mannose

2-O-beta-D-xylosyl-D-mannose

C11H20O10 (312.105642)


   

5,5-dimethyl-3-[(tosyloxy)ethyl]dihydro-2(3H)-furanone

5,5-dimethyl-3-[(tosyloxy)ethyl]dihydro-2(3H)-furanone

C15H20O5S (312.10313900000006)


   
   
   
   
   
   

3-O-alpha-D-glucopyranosyl-D-arabinopyranose

3-O-alpha-D-glucopyranosyl-D-arabinopyranose

C11H20O10 (312.105642)


   

D-xylopyranosyl D-glucopyranoside

D-xylopyranosyl D-glucopyranoside

C11H20O10 (312.105642)


   

2-O-beta-D-xylopyranosyl-D-glucopyranose

2-O-beta-D-xylopyranosyl-D-glucopyranose

C11H20O10 (312.105642)


   

9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-2-(methylamino)-1H-purin-9-ium-6-one

9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-2-(methylamino)-1H-purin-9-ium-6-one

C12H18N5O5+ (312.1307878)


   

beta-D-Gal-(1->3)-D-Ara

beta-D-Gal-(1->3)-D-Ara

C11H20O10 (312.105642)


   
   
   
   
   
   
   
   

3-O-beta-D-xylopyranosyl-D-glucopyranose

3-O-beta-D-xylopyranosyl-D-glucopyranose

C11H20O10 (312.105642)


   
   

3-O-alpha-D-Xylopyranosyl-D-glucopyranose

3-O-alpha-D-Xylopyranosyl-D-glucopyranose

C11H20O10 (312.105642)


   

4-O-beta-D-xylopyranosyl-D-glucopyranose

4-O-beta-D-xylopyranosyl-D-glucopyranose

C11H20O10 (312.105642)


   
   

4-O-beta-D-Glucopyranosyl-D-xylopyranose

4-O-beta-D-Glucopyranosyl-D-xylopyranose

C11H20O10 (312.105642)


   
   
   

4-O-alpha-D-glucopyranosyl-D-xylopyranose

4-O-alpha-D-glucopyranosyl-D-xylopyranose

C11H20O10 (312.105642)


   
   
   
   

2-O-beta-D-glucopyranosyl-D-xylopyranose

2-O-beta-D-glucopyranosyl-D-xylopyranose

C11H20O10 (312.105642)


   

2-O-beta-D-arabinopyranosyl-D-mannopyranose

2-O-beta-D-arabinopyranosyl-D-mannopyranose

C11H20O10 (312.105642)


   

3-O-beta-D-glucopyranosyl-D-arabinopyranose

3-O-beta-D-glucopyranosyl-D-arabinopyranose

C11H20O10 (312.105642)


   
   

5-O-D-mannopyranosyl-D-arabinofuranose

5-O-D-mannopyranosyl-D-arabinofuranose

C11H20O10 (312.105642)


   

2-O-D-mannopyranosyl-D-arabinofuranose

2-O-D-mannopyranosyl-D-arabinofuranose

C11H20O10 (312.105642)


   
   

3,4,5-Trihydroxy-6-(3-phenylpropoxy)oxane-2-carboxylic acid

3,4,5-Trihydroxy-6-(3-phenylpropoxy)oxane-2-carboxylic acid

C15H20O7 (312.120897)


   

2-[hydroxy-[(2R)-3-hydroxy-2-prop-2-enoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium

2-[hydroxy-[(2R)-3-hydroxy-2-prop-2-enoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium

C11H23NO7P+ (312.12120780000004)


   

1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-4-hepten-3-one

1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-4-hepten-3-one

C19H20O4 (312.13615200000004)


   

(2S)-1-[2-(4-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide

(2S)-1-[2-(4-fluorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide

C18H17FN2O2 (312.1273994)


   

(2-Hydroxy-3-phosphonooxypropyl) nonanoate

(2-Hydroxy-3-phosphonooxypropyl) nonanoate

C12H25O7P (312.13378300000005)


   

1-Anthrylmethyl benzoate

1-Anthrylmethyl benzoate

C22H16O2 (312.1150236)


   

2-Anthrylmethyl benzoate

2-Anthrylmethyl benzoate

C22H16O2 (312.1150236)


   

9-Phenanthrylmethyl benzoate

9-Phenanthrylmethyl benzoate

C22H16O2 (312.1150236)


   

3-Phenanthrylmethyl benzoate

3-Phenanthrylmethyl benzoate

C22H16O2 (312.1150236)


   

2-Phenanthrylmethyl benzoate

2-Phenanthrylmethyl benzoate

C22H16O2 (312.1150236)


   
   

6-O-(beta-D-xylopyranosyl)-D-glucopyranose

6-O-(beta-D-xylopyranosyl)-D-glucopyranose

C11H20O10 (312.105642)


   

(3R,4S,5S,6R)-6-(Hydroxymethyl)-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2,3,5-triol

(3R,4S,5S,6R)-6-(Hydroxymethyl)-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2,3,5-triol

C11H20O10 (312.105642)


   

Butylbenzyl phthalate

Butyl phenylmethyl 1,2-benzenedicarboxylate

C19H20O4 (312.13615200000004)


D009676 - Noxae > D013723 - Teratogens

   
   

Galactose-beta-1,4-xylose

Galactose-beta-1,4-xylose

C11H20O10 (312.105642)


   

2-O-b-D-Galactopyranosyl-D-xylose

2-O-beta-D-galactopyranosyl-D-xylose

C11H20O10 (312.105642)


   

Arabino-galactose

(3R,4S,5S,6R)-6-(Hydroxymethyl)-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2,3,5-triol

C11H20O10 (312.105642)


   
   

N(6)-(2,4-dinitrophenyl)lysine

N(6)-(2,4-dinitrophenyl)lysine

C12H16N4O6 (312.1069796)


   

4-(3-Methyl-1-butenyl)-3,3,4,5-tetrahydroxystilbene

4-(3-Methyl-1-butenyl)-3,3,4,5-tetrahydroxystilbene

C19H20O4 (312.13615200000004)


   

alpha-D-Xylp-(1->6)-beta-D-Glcp

alpha-D-Xylp-(1->6)-beta-D-Glcp

C11H20O10 (312.105642)


An alpha-D-Xylp-(1->6)-D-Glcp in which the carbon bearing the anomeric hydroxy group has beta configuration. The disaccharide unit of xyloglucan in plant cell-walls.

   

6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol

6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol

C11H20O10 (312.105642)


   

N(6)-(2,4-dinitrophenyl)-L-lysine

N(6)-(2,4-dinitrophenyl)-L-lysine

C12H16N4O6 (312.1069796)


The L-stereoisomer of N(6)-(2,4-dinitrophenyl)lysine, a lysine derivative having a 2,4-dinitrophenyl substituent at the N(6)-position.

   
   

HCV-IN-31

HCV-IN-31

C12H17FN6O3 (312.13461040000004)


HCV-IN-31 (compound 4) is a HCV inhibitor, with an EC50/EC95 of 15.7 μM for HCV replicon[1].

   

1-{2-hydroxy-6-[(1e)-2-(4-hydroxyphenyl)ethenyl]-4-methoxyphenyl}-2-methylpropan-1-one

1-{2-hydroxy-6-[(1e)-2-(4-hydroxyphenyl)ethenyl]-4-methoxyphenyl}-2-methylpropan-1-one

C19H20O4 (312.13615200000004)


   

3-hydroxy-5-methoxy-4,6,6-trimethyl-2-[(2e)-3-phenylprop-2-enoyl]cyclohexa-2,4-dien-1-one

3-hydroxy-5-methoxy-4,6,6-trimethyl-2-[(2e)-3-phenylprop-2-enoyl]cyclohexa-2,4-dien-1-one

C19H20O4 (312.13615200000004)


   

5,10,14-trihydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.0¹,⁵.0⁶,¹⁰]pentadecane-9,13-dione

5,10,14-trihydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.0¹,⁵.0⁶,¹⁰]pentadecane-9,13-dione

C15H20O7 (312.120897)


   

3-methyl-5-{2,3,8-trihydroxy-1,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-8-yl}penta-2,4-dienoic acid

3-methyl-5-{2,3,8-trihydroxy-1,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octan-8-yl}penta-2,4-dienoic acid

C15H20O7 (312.120897)


   

[(3s,3as,6ar,9ar,9bs)-6,9-dimethylidene-2-oxo-octahydro-3h-azuleno[4,5-b]furan-3-yl]methanesulfonic acid

[(3s,3as,6ar,9ar,9bs)-6,9-dimethylidene-2-oxo-octahydro-3h-azuleno[4,5-b]furan-3-yl]methanesulfonic acid

C15H20O5S (312.10313900000006)


   

(1r,2e,8s,10r,11s)-8,10,11-trihydroxy-6-(hydroxymethyl)-1,10-dimethyl-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-5-one

(1r,2e,8s,10r,11s)-8,10,11-trihydroxy-6-(hydroxymethyl)-1,10-dimethyl-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-5-one

C15H20O7 (312.120897)


   

2-(3-hydroxy-5-methoxy-2,4,6-trimethylphenyl)-5-methyl-1-benzofuran-4-ol

2-(3-hydroxy-5-methoxy-2,4,6-trimethylphenyl)-5-methyl-1-benzofuran-4-ol

C19H20O4 (312.13615200000004)


   

(6s,10s,12s)-18-hydroxy-12-methyl-2,7,11,13-tetraazapentacyclo[12.3.1.0⁴,¹⁷.0⁷,¹⁶.0¹⁰,¹⁵]octadeca-1(18),2,4(17),13,15-pentaene-6-carboxylic acid

(6s,10s,12s)-18-hydroxy-12-methyl-2,7,11,13-tetraazapentacyclo[12.3.1.0⁴,¹⁷.0⁷,¹⁶.0¹⁰,¹⁵]octadeca-1(18),2,4(17),13,15-pentaene-6-carboxylic acid

C16H16N4O3 (312.12223459999996)


   

(1r,4s,13r,16s)-11-methyl-4-(prop-1-en-2-yl)-14-oxatetracyclo[8.5.1.0²,⁸.0¹³,¹⁶]hexadeca-2(8),10-diene-6,9,15-trione

(1r,4s,13r,16s)-11-methyl-4-(prop-1-en-2-yl)-14-oxatetracyclo[8.5.1.0²,⁸.0¹³,¹⁶]hexadeca-2(8),10-diene-6,9,15-trione

C19H20O4 (312.13615200000004)


   

7-[(3,7-dimethylocta-2,4,7-trien-1-yl)oxy]-6-hydroxychromen-2-one

7-[(3,7-dimethylocta-2,4,7-trien-1-yl)oxy]-6-hydroxychromen-2-one

C19H20O4 (312.13615200000004)


   

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

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

C11H20O10 (312.105642)


   

(1r,13r,16s,18r)-3-hydroxy-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

(1r,13r,16s,18r)-3-hydroxy-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

C19H20O4 (312.13615200000004)


   

2,3,4,5,6-pentahydroxycyclohexyl 2-phenylpropanoate

2,3,4,5,6-pentahydroxycyclohexyl 2-phenylpropanoate

C15H20O7 (312.120897)


   

7-{[(3e)-3,7-dimethyl-5-oxoocta-3,6-dien-1-yl]oxy}chromen-2-one

7-{[(3e)-3,7-dimethyl-5-oxoocta-3,6-dien-1-yl]oxy}chromen-2-one

C19H20O4 (312.13615200000004)


   

3,11,17-trihydroxytricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,14,16-hexaen-9-one

3,11,17-trihydroxytricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,14,16-hexaen-9-one

C19H20O4 (312.13615200000004)


   

(1r,3s)-6-hydroxy-1-(3h-imidazol-4-ylmethyl)-1h,2h,3h,4h,9h-pyrido[3,4-b]indole-3-carboxylic acid

(1r,3s)-6-hydroxy-1-(3h-imidazol-4-ylmethyl)-1h,2h,3h,4h,9h-pyrido[3,4-b]indole-3-carboxylic acid

C16H16N4O3 (312.12223459999996)


   

2-(1-hydroxy-3-phenylprop-2-en-1-ylidene)-5-methoxy-4,6,6-trimethylcyclohex-4-ene-1,3-dione

2-(1-hydroxy-3-phenylprop-2-en-1-ylidene)-5-methoxy-4,6,6-trimethylcyclohex-4-ene-1,3-dione

C19H20O4 (312.13615200000004)


   

3a-chloro-2-(2-hydroxypropan-2-yl)-6-(3-methylbut-3-en-1-yn-1-yl)-3,4,5,7a-tetrahydro-2h-1-benzofuran-4,5-diol

3a-chloro-2-(2-hydroxypropan-2-yl)-6-(3-methylbut-3-en-1-yn-1-yl)-3,4,5,7a-tetrahydro-2h-1-benzofuran-4,5-diol

C16H21ClO4 (312.1128296)


   

p-coumaryl alcohol 4-glucoside

p-coumaryl alcohol 4-glucoside

C15H20O7 (312.120897)


   

(12s,15r)-11,11,15-trimethyl-4,10,19-trioxapentacyclo[13.3.1.0³,⁸.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1(18),2,6,8-tetraen-5-one

(12s,15r)-11,11,15-trimethyl-4,10,19-trioxapentacyclo[13.3.1.0³,⁸.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1(18),2,6,8-tetraen-5-one

C19H20O4 (312.13615200000004)


   

3-hydroxy-2-isopropyl-8,8-dimethyl-6,7-dihydrophenanthrene-1,4,5-trione

3-hydroxy-2-isopropyl-8,8-dimethyl-6,7-dihydrophenanthrene-1,4,5-trione

C19H20O4 (312.13615200000004)


   

(3as,4r,5r,6s,6as,9s,9as,9br)-9-hydroperoxy-4,5,6-trihydroxy-6,9-dimethyl-3-methylidene-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-2-one

(3as,4r,5r,6s,6as,9s,9as,9br)-9-hydroperoxy-4,5,6-trihydroxy-6,9-dimethyl-3-methylidene-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-2-one

C15H20O7 (312.120897)


   

(10s)-4,10-dihydroxy-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaen-8-one

(10s)-4,10-dihydroxy-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaen-8-one

C19H20O4 (312.13615200000004)


   

2-[(4-hydroxy-2-methyl-3,4-dihydro-2h-1-benzopyran-5-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol

2-[(4-hydroxy-2-methyl-3,4-dihydro-2h-1-benzopyran-5-yl)oxy]-5-(hydroxymethyl)oxolane-3,4-diol

C15H20O7 (312.120897)


   

1-{2-hydroxy-6-[2-(4-hydroxyphenyl)ethenyl]-4-methoxyphenyl}-2-methylpropan-1-one

1-{2-hydroxy-6-[2-(4-hydroxyphenyl)ethenyl]-4-methoxyphenyl}-2-methylpropan-1-one

C19H20O4 (312.13615200000004)


   

(1r,2e,8r,10s,11s)-8,10,11-trihydroxy-6-(hydroxymethyl)-1,10-dimethyl-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-5-one

(1r,2e,8r,10s,11s)-8,10,11-trihydroxy-6-(hydroxymethyl)-1,10-dimethyl-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-5-one

C15H20O7 (312.120897)


   

2,2,4,4-tetramethyl-6-[(2e)-3-phenylprop-2-enoyl]cyclohexane-1,3,5-trione

2,2,4,4-tetramethyl-6-[(2e)-3-phenylprop-2-enoyl]cyclohexane-1,3,5-trione

C19H20O4 (312.13615200000004)


   

(1s)-1-(hydroxymethyl)-6,6-dimethyl-1h,2h,7h,8h,9h-phenanthro[1,2-b]furan-10,11-dione

(1s)-1-(hydroxymethyl)-6,6-dimethyl-1h,2h,7h,8h,9h-phenanthro[1,2-b]furan-10,11-dione

C19H20O4 (312.13615200000004)


   

6-(4-hydroxy-6-oxo-8-phenylocta-1,7-dien-1-yl)-5,6-dihydropyran-2-one

6-(4-hydroxy-6-oxo-8-phenylocta-1,7-dien-1-yl)-5,6-dihydropyran-2-one

C19H20O4 (312.13615200000004)


   

2-(acetyloxy)-5,8-dimethyl-3-(prop-1-en-2-yl)naphthalen-1-yl acetate

2-(acetyloxy)-5,8-dimethyl-3-(prop-1-en-2-yl)naphthalen-1-yl acetate

C19H20O4 (312.13615200000004)


   

5-[2-(3,4-dihydroxyphenyl)ethenyl]-2-(3-methylbut-1-en-1-yl)benzene-1,3-diol

5-[2-(3,4-dihydroxyphenyl)ethenyl]-2-(3-methylbut-1-en-1-yl)benzene-1,3-diol

C19H20O4 (312.13615200000004)


   

(2s,3r,4s,5s,6r)-2-[2-hydroxy-4-(prop-2-en-1-yl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3r,4s,5s,6r)-2-[2-hydroxy-4-(prop-2-en-1-yl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C15H20O7 (312.120897)


   

(1s,2r,5r,6s,11s,14r)-5,10,14-trihydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.0¹,⁵.0⁶,¹⁰]pentadecane-9,13-dione

(1s,2r,5r,6s,11s,14r)-5,10,14-trihydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.0¹,⁵.0⁶,¹⁰]pentadecane-9,13-dione

C15H20O7 (312.120897)


   

(1r,11r,12s,13s,16r)-12-hydroxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.1⁹,¹².0¹,¹¹.0⁴,¹⁰]octadeca-4,7,9-triene-6,15-dione

(1r,11r,12s,13s,16r)-12-hydroxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.1⁹,¹².0¹,¹¹.0⁴,¹⁰]octadeca-4,7,9-triene-6,15-dione

C19H20O4 (312.13615200000004)


   

(1s,2r,4r,5r,9s,10r,11s,12s,13r)-2,4,11,12-tetrahydroxy-2,11-dimethyl-6-methylidene-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-7-one

(1s,2r,4r,5r,9s,10r,11s,12s,13r)-2,4,11,12-tetrahydroxy-2,11-dimethyl-6-methylidene-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-7-one

C15H20O7 (312.120897)


   

3-hydroxy-13,17,17-trimethyl-6,12-dioxapentacyclo[11.4.1.0²,¹¹.0⁵,¹⁰.0¹⁶,¹⁸]octadeca-2,4,8,10-tetraen-7-one

3-hydroxy-13,17,17-trimethyl-6,12-dioxapentacyclo[11.4.1.0²,¹¹.0⁵,¹⁰.0¹⁶,¹⁸]octadeca-2,4,8,10-tetraen-7-one

C19H20O4 (312.13615200000004)