Exact Mass: 98.048

Exact Mass Matches: 98.048

Found 325 metabolites which its exact mass value is equals to given mass value 98.048, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

2-Hexenal

InChI=1/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+

C6H10O (98.0732)


(2E)-hexenal is a 2-hexenal in which the olefinic double bond has E configuration. It occurs naturally in a wide range of fruits, vegetables, and spices. It has a role as a flavouring agent, an antibacterial agent and a plant metabolite. 2-Hexenal is a natural product found in Lonicera japonica, Origanum sipyleum, and other organisms with data available. 2-Hexenal is a uremic toxin. Uremic toxins can be subdivided into three major groups based upon their chemical and physical characteristics: 1) small, water-soluble, non-protein-bound compounds, such as urea; 2) small, lipid-soluble and/or protein-bound compounds, such as the phenols and 3) larger so-called middle-molecules, such as beta2-microglobulin. Chronic exposure of uremic toxins can lead to a number of conditions including renal damage, chronic kidney disease and cardiovascular disease. 2-Hexenal is found in allspice. 2-Hexenal is used in perfumery and flavourings. 2-Hexenal belongs to the family of Medium-chain Aldehydes. These are An aldehyde with a chain length containing between 6 and 12 carbon atoms. 2-Hexenal (CAS: 505-57-7), also known as 2-hexenaldehyde or 3-propylacrolein, belongs to the class of organic compounds known as medium-chain aldehydes. These are aldehydes with a chain length containing between 6 and 12 carbon atoms. Thus, 2-hexenal is considered to be a fatty aldehyde lipid molecule. Outside of the human body, 2-hexenal is found, on average, in the highest concentration within a few different foods, such as corn, tea, and bilberries. 2-Hexenal has also been detected, but not quantified in, several different foods, such as common wheat, ginkgo nuts, spearmints, sunflowers, and watermelons. This could make 2-hexenal a potential biomarker for the consumption of these foods. (E)-2-Hexenal is found in allspice. It is used in perfumery and flavouring. (E)-2-Hexenal has also been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators Acquisition and generation of the data is financially supported in part by CREST/JST. Trans-?2-?Hexenal can be used for the determination of low-molecular-weight carbonyl compounds which are reactive with biological nucleophiles in biological samples[1]. Trans-?2-?Hexenal can be used for the determination of low-molecular-weight carbonyl compounds which are reactive with biological nucleophiles in biological samples[1].

   

alpha-Methylene-gamma-butyrolactone

4-(3-FORMYL-2,5-DIMETHYL-1H-PYRROL-1-YL)BENZENECARBOXYLICACID

C5H6O2 (98.0368)


Alpha-methylene gamma-butyrolactone is a butan-4-olide having a methylene group at the 3-position. It has a role as a gastrointestinal drug and an anti-ulcer drug. alpha-Methylene-gamma-butyrolactone is a natural product found in Tulipa agenensis, Tulipa humilis, and other organisms with data available. D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents Tulipalin A (α-Methylene butyrolactone) is a glycoside. Tulipalin A is a causative allergen that induces Allergic contact dermatitides[1]. Tulipalin A (α-Methylene butyrolactone) at low dose affects the functionality of immune cells, such as Jurkat T cells[2]. Tulipalin A (α-Methylene butyrolactone) is a glycoside. Tulipalin A is a causative allergen that induces Allergic contact dermatitides[1]. Tulipalin A (α-Methylene butyrolactone) at low dose affects the functionality of immune cells, such as Jurkat T cells[2].

   

Moniliformin

3-hydroxycyclobut-3-ene-1,2-dione

C4H2O3 (98.0004)


   

4-Imidazolemethanol

4-Hydroxymethylimidazole

C4H6N2O (98.048)


KEIO_ID H025

   

2-Furanmethanol

(2-FURYL)-methanol (furfurylalcohol)

C5H6O2 (98.0368)


2-Furanmethanol, also known as 2-furylcarbinol or furfural alcohol, belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Its structure is that of a furan bearing a hydroxymethyl substituent at the 2-position. 2-Furanmethanol is a sweet, alcoholic and bitter tasting compound. 2-Furanmethanol has been detected, but not quantified, in several different foods, such as cereals and cereal products, potato, white mustards, arabica coffee, and cocoa and cocoa products. This could make 2-furanmethanol a potential biomarker for the consumption of these foods. Isolated from coffee aroma, tea, wheat bread, crispbread, soybean, cocoa, rice, potato chips and other sources. Flavouring ingredient. 2-Furanmethanol is found in many foods, some of which are sesame, pulses, white mustard, and potato.

   

Cyclohexanone

Cyclohexanone homopolymer

C6H10O (98.0732)


Cyclohexanone is a food flavourant. Present in various plant spp. e.g. Cistus ladaniferus (labdanum). Cyclohexanone is a colorless oily liquid with an odor resembling acetone and peppermint. Cyclohexanone is occasionally found as a volatile component of human urine. Biological fluids such as blood and urine have been shown to contain a large number of components, some of them volatiles (low boiling point) apparently present in all individuals, while others such are much more variable. In some cases differences up to an order of magnitude are observed. Although some of these changes may have dietary origins, others seem to be characteristic of the individual. Cyclohexanone is obtained through oxidation of cyclohexane or dehydrogenation of phenol. Approx. 95\\% of its manuf. is used for the production of nylon. Information on toxicity to human beings is fragmentary. Acute exposure is characterized by irritation of the eyes, nose, and throat. In two persons, drowsiness and renal impairment were found; Like cyclohexanol, cyclohexanone is not carcinogenic and is only moderately toxic, with a TLV of 25 ppm for the vapor. It is an irritant.; The great majority of cyclohexanone is consumed in the production of precursors to Nylon 66 and Nylon 6. About half of the worlds supply is converted to adipic acid, one of two precursors for nylon 66. For this application, the KA oil (see above) is oxidized with nitric acid. The other half of the cyclohexanone supply is converted to the oxime. In the presence of sulfuric acid catalyst, the oxime rearranges to caprolactam, a precursor to nylon 6:; however, there were embryotoxic effects and influence on reproduction Cyclohexanone is well absorbed through the skin, respiratory tract, and alimentary tract. The main metabolic pathway leads to cyclohexanol, which is excreted in urine coupled with glucuronic acid. A high correlation was found between the concentration of cyclohexanone in the working environment and its concentration in urine. Cyclohexanone is formed from the hydrocarbons cyclohexane and 1-, 2-, and 3-hexanol. A patients case report documents the development of anosmia (an olfactory disorder) and rhinitis caused by occupational exposure to organic solvents, including cyclohexanone (PMID: 10476412, 16925936, 16477465); however, these workers were also exposed to other compounds. Hepatic disorders were found in a group of workers exposed for over five years. In animals, cyclohexanone is characterized by relatively low acute toxicity (DL50 by intragastric administration is approx. 2 g/kg body wt.). Effects on the central nervous system (CNS) were found (narcosis), as well as irritation of the eyes and skin. Following multiple administration, effects were found in the CNS, liver, and kidneys as well as irritation of the conjunctiva. Mutagenic and genotoxic effects were found, but no teratogenic effects were detected Cyclohexanone is a colorless oily liquid with an odor resembling acetone and peppermint. Cyclohexanone is occasionally found as a volatile component of human urine. Biological fluids such as blood and urine have been shown to contain a large number of components, some of them volatiles (low boiling point) apparently present in all individuals, while others such are much more variable. In some cases differences up to an order of magnitude are observed. Although some of these changes may have dietary origins, others seem to be characteristic of the individual. Cyclohexanone is obtained through oxidation of cyclohexane or dehydrogenation of phenol. Approx. 95\\% of its manufacturing is used for the production of nylon. Information on toxicity to human beings is fragmentary. Acute exposure is characterized by irritation of the eyes, nose, and throat. In two persons, drowsiness and renal impairment were found; however, these workers were also exposed to other compounds. Hepatic disorders were found in a group of workers exposed for over five years. In animals, cyclohexanone is characterized by relatively low acute toxicity (DL50 by intragastric administration is approximately 2 g/kg body wt.). Effects on the central nervous system (CNS) were found (narcosis), as well as irritation of the eyes and skin. Following multiple administration, effects were found in the CNS, liver, and kidneys as well as irritation of the conjunctiva. Mutagenic and genotoxic effects were found, but no teratogenic effects were detected; however, there were embryotoxic effects and influence on reproduction Cyclohexanone is well absorbed through the skin, respiratory tract, and alimentary tract. The main metabolic pathway leads to cyclohexanol, which is excreted in urine coupled with glucuronic acid. A high correlation was found between the concentration of cyclohexanone in the working environment and its concentration in urine. Cyclohexanone is formed from the hydrocarbons cyclohexane and 1-, 2-, and 3-hexanol. A patients case report documents the development of anosmia (an olfactory disorder) and rhinitis caused by occupational exposure to organic solvents, including cyclohexanone (PMID:10476412, 16925936, 16477465).

   

(Z)-3-Hexenal

Caproic aldehyde

C6H10O (98.0732)


(Z)-3-Hexenal is found in fruits. (Z)-3-Hexenal is a flavouring ingredient. (Z)-3-Hexenal is present in apple, cucumber, grape, banana, raspberry, strawberry, black tea and tomat (Z)-3-Hexenal is a flavouring ingredient. It is found in many foods, some of which are: apple, cucumber, grape, banana, raspberry, strawberry, black tea and tomato. D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals

   

4-Methyl-2(5H)-furanone

4-Methyl-2(5H)-furanone

C5H6O2 (98.0368)


   

1-Penten-3-one, 4-methyl-

1-Penten-3-one, 4-methyl-

C6H10O (98.0732)


   

2-Methylthiophene

2-Methylthiophene, certified reference material, TraceCERT(R)

C5H6S (98.019)


2-methylthiophene is a member of the class of thiophenes that is thiophene in which the hydrogen atom at position 2 is substituted by a methyl group. It has a role as a flavouring agent and a Maillard reaction product. It is a member of thiophenes and a volatile organic compound. It is functionally related to a thiophene. 2-Methylthiophene is a natural product found in Psidium guajava, Xanthopappus subacaulis, and Solanum lycopersicum with data available. 2-methylthiophene is a metabolite found in or produced by Saccharomyces cerevisiae. 2-Methylthiophene, also known as 2-thiotolene, belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. 2-Methylthiophene is possibly neutral. 2-Methylthiophene is an alliaceous, green, and onion tasting compound. 2-Methylthiophene has been detected, but not quantified, in several different foods, such as blackberries, coffee and coffee products, evergreen blackberries, and guava. Maillard product; present in roast beef and coffee aromas. 2-Methylthiophene is found in coffee and coffee products, animal foods, and guava. 4-Methylthiophene is?an intermediate?used?in?the?synthesis?of?the?aromatic sulfur compounds[1]. 4-Methylthiophene is?an intermediate?used?in?the?synthesis?of?the?aromatic sulfur compounds[1].

   

3-Hexenal

3-hexen-1-al

C6H10O (98.0732)


(E)-3-Hexenal is found in common sage. (E)-3-Hexenal is a flavouring agent It is used as a food additive .

   

xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole

xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole

C5H10N2 (98.0844)


xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole is found in fishes. xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole is a volatile component of rainbow trout tissue. Volatile component of rainbow trout tissue. xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole is found in fishes.

   

2-Methyl-2-pentenal

alpha -Methyl-alpha -methylacrolein

C6H10O (98.0732)


2-Methyl-2-pentenal is found in alcoholic beverages. 2-Methyl-2-pentenal is a constituent of onion (Allium cepa) and chive leaves (Allium schoenoprasum). Also found in fruits of cranberry, guava, grape, plum, in mustard, cognac, black tea, coffee, roasted peanuts, walnut and other foodstuffs. 2-Methyl-2-pentenal is a flavouring ingredient. Constituent of onion (Allium cepa) and chive leaves (Allium schoenoprasum)and is also found in fruits of cranberry, guava, grape, plum, in mustard, cognac, black tea, coffee, roasted peanuts, walnut and other foodstuffs. Flavouring ingredient.

   

2-Methyl-4-pentenal

2-METHYL-PENT-4-ENAL

C6H10O (98.0732)


2-Methyl-4-pentenal is found in fruits. 2-Methyl-4-pentenal is a constituent of Actinidia chinensis (kiwi fruit), Phaseolus lunatus (butter bean), Psidium guajava (guava) and other plant species

   

3-Methylthiophene

Thiophene, 3-methyl-, homopolymer

C5H6S (98.019)


3-Methylthiophene is found in coffee and coffee products. 3-Methylthiophene is a maillard product, present in roast coffee aroma. Maillard product, present in roast coffee aroma. 3-Methylthiophene is found in coffee and coffee products and guava. D001697 - Biomedical and Dental Materials

   

4-Hexen-3-one

4-Hexen-3-one, predominantly trans

C6H10O (98.0732)


4-Hexen-3-one (CAS: 2497-21-4), also known as 2-hexen-4-one or ethyl 1-propenyl ketone, belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR. 4-Hexen-3-one is an extremely weak basic (essentially neutral) compound (based on its pKa). 4-Hexen-3-one is an ethereal, green, and metallic tasting compound. Outside of the human body, 4-hexen-3-one has been detected, but not quantified in, several different foods, such as pepper (C. baccatum), tea leaf willows, turmerics, sweet oranges, and other soy products. This could make 4-hexen-3-one a potential biomarker for the consumption of these foods. 4-Hexen-3-one is a flavouring ingredient. Flavouring ingredient. 4-Hexen-3-one is found in many foods, some of which are prickly pear, canola, irish moss, and annual wild rice.

   

4-Methyl-3-penten-2-one, 9CI

4-Methyl-3-penten-2-one (mesityl oxide)

C6H10O (98.0732)


4-Methyl-3-penten-2-one, also known as isopropylidene acetone or (CH3)2C=chc(=o)CH3, belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR. 4-Methyl-3-penten-2-one is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, 4-methyl-3-penten-2-one is considered to be an oxygenated hydrocarbon lipid molecule. 4-Methyl-3-penten-2-one is a sweet, acrylic, and chemical tasting compound. 4-Methyl-3-penten-2-one has been detected, but not quantified, in several different foods, such as orange bell peppers, pepper (c. frutescens), herbs and spices, yellow bell peppers, and green bell peppers. This could make 4-methyl-3-penten-2-one a potential biomarker for the consumption of these foods. With regards to humans, 4-Methyl-3-penten-2-one has been linked to the inborn metabolic disorder celiac disease. Flavouring ingredient. Constituent of Capsicum subspecies, Osmanthus fragrans (sweet osmanthus) and other plants. 4-Methyl-3-penten-2-one, 9CI is found in many foods, some of which are pepper (c. annuum), yellow bell pepper, orange bell pepper, and red bell pepper.

   

4-Methyl-4-penten-2-one

4-Penten-2-one, 4-methyl-

C6H10O (98.0732)


4-Methyl-4-penten-2-one is listed in the EAFUS Food Additive Database (Jan 2001) but with no current reported uses (DFC Listed in the EAFUS Food Additive Database (Jan 2001) but with no current reported uses (DFC)

   

5-Methyl-2(3H)-furanone

3-PENTENOIC ACID,4-HYDROXY,LACTONE ALPHA-ANGELICA-LACTONE

C5H6O2 (98.0368)


5-Methyl-2(3H)-furanone is a flavouring for baked goods, milk and meat produt Flavouring for baked goods, milk and meat produts α-Angelica lactone is a naturally occurring anticarcinogen and an vinylogous nucleophile. α-Angelica lactone can give the chiral δ-amino γ,γ-disubstituted butenolide carbonyl derivatives and exhibitselectrophilic trapping at the γ-carbon. α-Angelica lactone exerts strong chemoprotective effects by selective enhancement of glutathione-S-thansferase (GST) and UDP-glucononosyltransferase (UGT) detoxification enzymes[1][2][3][4]. α-Angelica lactone is a naturally occurring anticarcinogen and an vinylogous nucleophile. α-Angelica lactone can give the chiral δ-amino γ,γ-disubstituted butenolide carbonyl derivatives and exhibitselectrophilic trapping at the γ-carbon. α-Angelica lactone exerts strong chemoprotective effects by selective enhancement of glutathione-S-thansferase (GST) and UDP-glucononosyltransferase (UGT) detoxification enzymes[1][2][3][4].

   

4-Methyl-2-pentenal

(2Z)-4-methylpent-2-enal

C6H10O (98.0732)


4-Methyl-2-pentenal is a flavouring ingredien Flavouring ingredient

   

(E)-4-Hexenal

Methyl 2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylate

C6H10O (98.0732)


(E)-4-Hexenal is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]"). It is used as a food additive .

   

5-Hydroxy-4-pentenoic acid d-lactone

5-Hydroxy-4-pentenoic acid d-lactone

C5H6O2 (98.0368)


5-Hydroxy-4-pentenoic acid d-lactone is found in nuts. 5-Hydroxy-4-pentenoic acid d-lactone is a constituent of roasted peanut flavour. Constituent of roasted peanut flavour. 5-Hydroxy-4-pentenoic acid d-lactone is found in nuts.

   

(Z)-2-Hexenal

(Z)-Hex-2-en-1-al

C6H10O (98.0732)


Fruit flavour/aroma constituent. Fruit flavour/aroma constituent

   

(Z)-4-Hexenal

(4E)-hex-4-enal

C6H10O (98.0732)


(Z)-4-Hexenal is found in onion-family vegetables. (Z)-4-Hexenal is present in onion. (Z)-4-Hexenal is a flavouring ingredient. Present in onion. Flavouring ingredient. (Z)-4-Hexenal is found in onion-family vegetables.

   

4-Hydroxymethylpyrazole

(1H-Pyrazol-4-YL)methanol

C4H6N2O (98.048)


4-Hydroxymethylpyrazole is a metabolite of fomepizole. Fomepizole or 4-methylpyrazole is indicated for use as an antidote in confirmed or suspected methanol or ethylene glycol poisoning. It may be used alone or in combination with hemodialysis. Apart from medical uses, the role of 4-methylpyrazole in coordination chemistry has been studied. (Wikipedia) 4-Hydroxymethylpyrazole is the primary metabolite of Fomepizole (HY-B0876). Fomepizole is a competitive inhibitor of the enzyme alcohol dehydrogenase[1].

   

cis-Cyclohexene Oxide

7-oxabicyclo 4.1.0 heptane

C6H10O (98.0732)


   

1,4-Epoxycyclohexane

7-oxabicyclo[2.2.1]heptane

C6H10O (98.0732)


   

2-Fluoropyrimidine

pyrimidine, 2-fluoro-

C4H3FN2 (98.028)


   

3-Methyl-1-pentyn-3-ol

Scherer brand OF methylpentynol

C6H10O (98.0732)


N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic

   

5-Fluoropyrimidine

pyrimidine,5-fluoro

C4H3FN2 (98.028)


   

Allyl ether

3-(prop-2-en-1-yloxy)prop-1-ene

C6H10O (98.0732)


   

2-Pentenedial

pent-2-enedial

C5H6O2 (98.0368)


   

Hexenal

alpha,beta-Hexylenaldehyde

C6H10O (98.0732)


Constituent of many foods. Flavouring ingredient. 2-Hexenal is found in many foods, some of which are black elderberry, ginkgo nuts, cucumber, and burdock. Trans-?2-?Hexenal can be used for the determination of low-molecular-weight carbonyl compounds which are reactive with biological nucleophiles in biological samples[1]. Trans-?2-?Hexenal can be used for the determination of low-molecular-weight carbonyl compounds which are reactive with biological nucleophiles in biological samples[1].

   

MALEIC ANHYDRIDE

2,5-dihydrofuran-2,5-dione

C4H2O3 (98.0004)


   

PIPERIDIN-2-IMINE

Piperidin-(2E)-ylideneamine

C5H10N2 (98.0844)


   

Prolyl

pyrrolidine-2-carbonyl

C5H8NO (98.0606)


   

Succinimido

(2-oxo-3,4-dihydro-2H-pyrrol-5-yl)oxidanyl

C4H4NO2 (98.0242)


   

tetrazinone

4,5-dihydro-1,2,3,4-tetrazin-5-one

C2H2N4O (98.0229)


   

Hex-cis-3-en-1-al

Hex-cis-3-en-1-al

C6H10O (98.0732)


Hex-cis-3-en-1-al, also known as (Z)-3-hexenal, is a member of the class of compounds known as medium-chain aldehydes. Medium-chain aldehydes are an aldehyde with a chain length containing between 6 and 12 carbon atoms. Thus, hex-cis-3-en-1-al is considered to be a fatty aldehyde lipid molecule. Hex-cis-3-en-1-al is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Hex-cis-3-en-1-al can be found in corn, highbush blueberry, and tea, which makes hex-cis-3-en-1-al a potential biomarker for the consumption of these food products.

   

2,4-Hexadien-1-ol

hexa-2,4-dien-1-ol

C6H10O (98.0732)


2,4-hexadien-1-ol is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. 2,4-hexadien-1-ol is soluble (in water) and an extremely weak acidic compound (based on its pKa). 2,4-hexadien-1-ol is a sweet, almond, and green tasting compound found in soy bean, which makes 2,4-hexadien-1-ol a potential biomarker for the consumption of this food product. 2,4-hexadien-1-ol may be a unique S.cerevisiae (yeast) metabolite.

   

5-Methyl-3(2H)-furanone

5-methyl-2,3-dihydrofuran-3-one

C5H6O2 (98.0368)


It is used as a food additive .

   

1-hexen-3-one

hex-1-en-3-one

C6H10O (98.0732)


Flavouring compound [Flavornet]

   

2-METHYLCYCLOPENTANONE

2-METHYLCYCLOPENTANONE

C6H10O (98.0732)


   

2-cyclohexenol

2-CYCLOHEXEN-1-OL

C6H10O (98.0732)


   

3-Hexyn-1-ol|3-hexyne-1-ol|3-hexynol|Hex-3-in-1-ol|hex-3-yn-1-ol|hex-3-ynol

3-Hexyn-1-ol|3-hexyne-1-ol|3-hexynol|Hex-3-in-1-ol|hex-3-yn-1-ol|hex-3-ynol

C6H10O (98.0732)


   

Isopropyl vinyl ketone

Isopropyl vinyl ketone

C6H10O (98.0732)


   

1-hexyn-6-ol|5-hexyn-1-ol|5-hexyn-l-ol|5-hexynyl alcohol|5?hexyn?1?ol|hex-5-yn-1-ol|hex-5-ynol

1-hexyn-6-ol|5-hexyn-1-ol|5-hexyn-l-ol|5-hexynyl alcohol|5?hexyn?1?ol|hex-5-yn-1-ol|hex-5-ynol

C6H10O (98.0732)


   

(S)-1-Hexyn-3-ol|1-Hexyn-3-ol

(S)-1-Hexyn-3-ol|1-Hexyn-3-ol

C6H10O (98.0732)


   

hexa-2,4-dien-1-ol

hexa-2,4-dien-1-ol

C6H10O (98.0732)


   

hex-3-en-2-one

hex-3-en-2-one

C6H10O (98.0732)


   

3-Methyl-3-penten-2-one

3-Methyl-3-penten-2-one

C6H10O (98.0732)


   

3-Methyl-2(5H)-furanone

3-Methyl-2(5H)-furanone

C5H6O2 (98.0368)


   

2-methylidenebutanedial

2-methylidenebutanedial

C5H6O2 (98.0368)


   

2-Hydroxycyclopent-2-en-1-one

2-Hydroxycyclopent-2-en-1-one

C5H6O2 (98.0368)


   

3-Furanmethanol

3-Furanmethanol

C5H6O2 (98.0368)


   

Nitrile-2-Amino-2-methylbutanoic acid

Nitrile-2-Amino-2-methylbutanoic acid

C5H10N2 (98.0844)


   

1-pentynyl carbinol|2-hexyn-1-ol|2-hexyn-1ol|2-hexynol|3-hexyne-1-ol|Hex-2-in-1-ol|hex-2-yn-1-ol

1-pentynyl carbinol|2-hexyn-1-ol|2-hexyn-1ol|2-hexynol|3-hexyne-1-ol|Hex-2-in-1-ol|hex-2-yn-1-ol

C6H10O (98.0732)


   

4-hexyn-1-ol|4-hexynol|Hex-4-in-1-ol|hex-4-yn-1-ol

4-hexyn-1-ol|4-hexynol|Hex-4-in-1-ol|hex-4-yn-1-ol

C6H10O (98.0732)


   

a-Angelic lactone

alpha-Angelica lactone

C5H6O2 (98.0368)


α-Angelica lactone is a naturally occurring anticarcinogen and an vinylogous nucleophile. α-Angelica lactone can give the chiral δ-amino γ,γ-disubstituted butenolide carbonyl derivatives and exhibitselectrophilic trapping at the γ-carbon. α-Angelica lactone exerts strong chemoprotective effects by selective enhancement of glutathione-S-thansferase (GST) and UDP-glucononosyltransferase (UGT) detoxification enzymes[1][2][3][4]. α-Angelica lactone is a naturally occurring anticarcinogen and an vinylogous nucleophile. α-Angelica lactone can give the chiral δ-amino γ,γ-disubstituted butenolide carbonyl derivatives and exhibitselectrophilic trapping at the γ-carbon. α-Angelica lactone exerts strong chemoprotective effects by selective enhancement of glutathione-S-thansferase (GST) and UDP-glucononosyltransferase (UGT) detoxification enzymes[1][2][3][4].

   

1-HEXEN-3-ONE

1-HEXEN-3-ONE

C6H10O (98.0732)


   

5-amino-2H-pyrrol-2-ol

5-amino-2H-pyrrol-2-ol

C4H6N2O (98.048)


   

1,2-Cyclopentanedione

1,2-Cyclopentanedione

C5H6O2 (98.0368)


   

angelica lactone

3-PENTENOIC ACID,4-HYDROXY,LACTONE ALPHA-ANGELICA-LACTONE

C5H6O2 (98.0368)


Alpha-angelica lactone is an angelica lactone and a butenolide. It is functionally related to a but-3-en-4-olide. It is a tautomer of a beta-angelica lactone. alpha-Angelica lactone is a natural product found in Picea abies, Tamarindus indica, and Arctostaphylos uva-ursi with data available. α-Angelica lactone is a naturally occurring anticarcinogen and an vinylogous nucleophile. α-Angelica lactone can give the chiral δ-amino γ,γ-disubstituted butenolide carbonyl derivatives and exhibitselectrophilic trapping at the γ-carbon. α-Angelica lactone exerts strong chemoprotective effects by selective enhancement of glutathione-S-thansferase (GST) and UDP-glucononosyltransferase (UGT) detoxification enzymes[1][2][3][4]. α-Angelica lactone is a naturally occurring anticarcinogen and an vinylogous nucleophile. α-Angelica lactone can give the chiral δ-amino γ,γ-disubstituted butenolide carbonyl derivatives and exhibitselectrophilic trapping at the γ-carbon. α-Angelica lactone exerts strong chemoprotective effects by selective enhancement of glutathione-S-thansferase (GST) and UDP-glucononosyltransferase (UGT) detoxification enzymes[1][2][3][4].

   

3-Furylcarbinol

InChI=1/C5H6O2/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H

C5H6O2 (98.0368)


3-Furanmethanol is a natural product found in Panax ginseng with data available. 3-Furanmethanol belongs to the compound class of furan with a wide range of sensory properties. 2-cyanonaphthalenes undergo photocycloaddition reactions with 3-Furanmethanol efficiently and with high degrees of regioselectivity[1][2]. 3-Furanmethanol belongs to the compound class of furan with a wide range of sensory properties. 2-cyanonaphthalenes undergo photocycloaddition reactions with 3-Furanmethanol efficiently and with high degrees of regioselectivity[1][2].

   

Trans-2-Hexenal

Trans-​2-​Hexenal

C6H10O (98.0732)


Trans-?2-?Hexenal can be used for the determination of low-molecular-weight carbonyl compounds which are reactive with biological nucleophiles in biological samples[1]. Trans-?2-?Hexenal can be used for the determination of low-molecular-weight carbonyl compounds which are reactive with biological nucleophiles in biological samples[1].

   

CYCLOHEXANONE

CYCLOHEXANONE

C6H10O (98.0732)


   

Moniliformin

Moniliformin

C4H2O3 (98.0004)


   

2-Hexenal

2-Hexenal

C6H10O (98.0732)


   

alpha-Methylene-gamma-butyrolactone

alpha-Methylene-gamma-butyrolactone

C5H6O2 (98.0368)


   

Dimethylimidazole

1,3-Dihydro-4-methyl-2H-imidazol-2-one

C4H6N2O (98.048)


   

maleic anhydride

cis-Butenedioic anhydride

C4H2O3 (98.0004)


   

2,4-Pentadienoic acid

trans-2,4-Pentadienoicacid

C5H6O2 (98.0368)


A pentadienoic acid with the double bonds at positions 2 and 4.

   

3-hexenal

3-Hexenal (trans\cis mix)

C6H10O (98.0732)


D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D010575 - Pesticides > D007306 - Insecticides The cis-isomer of 3-hexenal. D016573 - Agrochemicals

   

4-hexenal

4-hexenal

C6H10O (98.0732)


   

5-hexenal

5-hexenal

C6H10O (98.0732)


   

Furfurol

2-Furanmethanol (furfuryl alcohol)

C5H6O2 (98.0368)


   

α-Angelica lactone

4-Hydroxy-3-pentenoic acid γ-lactone

C5H6O2 (98.0368)


α-Angelica lactone is a naturally occurring anticarcinogen and an vinylogous nucleophile. α-Angelica lactone can give the chiral δ-amino γ,γ-disubstituted butenolide carbonyl derivatives and exhibitselectrophilic trapping at the γ-carbon. α-Angelica lactone exerts strong chemoprotective effects by selective enhancement of glutathione-S-thansferase (GST) and UDP-glucononosyltransferase (UGT) detoxification enzymes[1][2][3][4]. α-Angelica lactone is a naturally occurring anticarcinogen and an vinylogous nucleophile. α-Angelica lactone can give the chiral δ-amino γ,γ-disubstituted butenolide carbonyl derivatives and exhibitselectrophilic trapping at the γ-carbon. α-Angelica lactone exerts strong chemoprotective effects by selective enhancement of glutathione-S-thansferase (GST) and UDP-glucononosyltransferase (UGT) detoxification enzymes[1][2][3][4].

   

2-methylpent-4-enal

2-METHYL-PENT-4-ENAL

C6H10O (98.0732)


   

FEMA 3510

(2Z)-4-methylpent-2-enal

C6H10O (98.0732)


   

Mesityloxid

4-01-00-03471 (Beilstein Handbook Reference)

C6H10O (98.0732)


   

Isopropenylacetone

4-Penten-2-one, 4-methyl-

C6H10O (98.0732)


   

methylthiol

5-17-01-00324 (Beilstein Handbook Reference)

C5H6S (98.019)


4-Methylthiophene is?an intermediate?used?in?the?synthesis?of?the?aromatic sulfur compounds[1]. 4-Methylthiophene is?an intermediate?used?in?the?synthesis?of?the?aromatic sulfur compounds[1].

   

3-Thiotolene

Thiophene, 3-methyl-, homopolymer

C5H6S (98.019)


D001697 - Biomedical and Dental Materials

   

Methylorotate

Methyl 2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylate

C6H10O (98.0732)


   

&beta

beta-Ethyl-alpha-methylacrolein

C6H10O (98.0732)


   

FEMA 3352

4-Hexen-3-one, predominantly trans

C6H10O (98.0732)


   

cis-2-Hexenal

(2Z)-hex-2-enal

C6H10O (98.0732)


   

3E-Hexene-2-one

3E-Hexene-2-one

C6H10O (98.0732)


   

5-hexen-2-one

5-hexen-2-one

C6H10O (98.0732)


   

FA 5:2

beta-vinyl acrylic acid

C5H6O2 (98.0368)


   

FAL 6:1

(3Z)-Hexenal

C6H10O (98.0732)


   

4-Methyl-3-penten-2-one

4-Methyl-3-penten-2-one

C6H10O (98.0732)


   

Phenol-D4

Phenol-D4

C6H2D4O (98.067)


   

4-Methyl-3-pentene-1-one

4-Methyl-3-pentene-1-one

C6H10O (98.0732)


   

Cyclopropyl(oxo)acetaldehydato

Cyclopropyl(oxo)acetaldehydato

C5H6O2 (98.0368)


   

1-Hydroxymethyl-3-Cyclopentene

1-Hydroxymethyl-3-Cyclopentene

C6H10O (98.0732)


   

1,1,1-trifluoropropane

1,1,1-trifluoropropane

C3H5F3 (98.0343)


   

1-METHYL-1H-1,2,4-TRIAZOL-5-AMINE

1-METHYL-1H-1,2,4-TRIAZOL-5-AMINE

C3H6N4 (98.0592)


   

1H-imidazol-2-ylhydrazine

1H-imidazol-2-ylhydrazine

C3H6N4 (98.0592)


   

3-ethynyloxetan-3-ol

3-ethynyloxetan-3-ol

C5H6O2 (98.0368)


   

1H-Imidazole-1,2-diamine

1H-Imidazole-1,2-diamine

C3H6N4 (98.0592)


   

3,3-dimethylcyclobutan-1-one

3,3-dimethylcyclobutan-1-one

C6H10O (98.0732)


   

2,5-Dimethyl-1,3,4-oxadiazole

2,5-Dimethyl-1,3,4-oxadiazole

C4H6N2O (98.048)


   

ISOXAZOL-4-YLMETHANAMINE

ISOXAZOL-4-YLMETHANAMINE

C4H6N2O (98.048)


   

1-methylcyclobutane-1-carbaldehyde

1-methylcyclobutane-1-carbaldehyde

C6H10O (98.0732)


   

1-Hexyn-3-ol

1-Hexyn-3-ol

C6H10O (98.0732)


   

2-Propenoic acid,ethenyl ester

2-Propenoic acid,ethenyl ester

C5H6O2 (98.0368)


   

3-Amino-5-methylisoxazole

3-Amino-5-methylisoxazole

C4H6N2O (98.048)


   

3-Methyl-3-pyrazolin-5-one

3-Methyl-3-pyrazolin-5-one

C4H6N2O (98.048)


   

4-Methylenetetrahydro-2H-pyran

4-Methylenetetrahydro-2H-pyran

C6H10O (98.0732)


   

Dimethylaminopropionitrile

Dimethylaminopropionitrile

C5H10N2 (98.0844)


   

1-(1,3-Oxazol-2-yl)methanamine

1-(1,3-Oxazol-2-yl)methanamine

C4H6N2O (98.048)


   

1-(1H-1,2,3-Triazol-4-yl)methanamine

1-(1H-1,2,3-Triazol-4-yl)methanamine

C3H6N4 (98.0592)


   

3-Methyl-5-aminoisoxazole

3-Methyl-5-aminoisoxazole

C4H6N2O (98.048)


   

2-methyltriazol-4-amine

2-methyltriazol-4-amine

C3H6N4 (98.0592)


   

methyl n-cyanoacetimidate

methyl n-cyanoacetimidate

C4H6N2O (98.048)


   

1H-Tetrazole, 1,5-dimethyl-

1H-Tetrazole, 1,5-dimethyl-

C3H6N4 (98.0592)


   

5-Methyl-1,2-oxazol-4-amine

5-Methyl-1,2-oxazol-4-amine

C4H6N2O (98.048)


   

1-ETHYL-1H-TETRAZOLE

1-ETHYL-1H-TETRAZOLE

C3H6N4 (98.0592)


   

5,5-dimethyl-1,4-dihydroimidazole

5,5-dimethyl-1,4-dihydroimidazole

C5H10N2 (98.0844)


   

3-Hydroxycyclopent-2-en-1-one

3-Hydroxycyclopent-2-en-1-one

C5H6O2 (98.0368)


   

1,2,5-Oxadiazole,3,4-dimethyl-

1,2,5-Oxadiazole,3,4-dimethyl-

C4H6N2O (98.048)


   

3-Methoxyfuran

3-Methoxyfuran

C5H6O2 (98.0368)


   

3-Cyclopropylpropanal

3-Cyclopropylpropanal

C6H10O (98.0732)


   

3H-Pyrazol-3-one,2,4-dihydro-4-methyl-

3H-Pyrazol-3-one,2,4-dihydro-4-methyl-

C4H6N2O (98.048)


   

2H-PYRAN-4(3H)-ONE

2H-PYRAN-4(3H)-ONE

C5H6O2 (98.0368)


   

2-METHYL-1H-PYRAZOL-3(2H)-ONE

2-METHYL-1H-PYRAZOL-3(2H)-ONE

C4H6N2O (98.048)


   

4-Methyl-1,3-oxazol-2-amine

4-Methyl-1,3-oxazol-2-amine

C4H6N2O (98.048)


   

ethyl N-cyanoformimidate

ethyl N-cyanoformimidate

C4H6N2O (98.048)


   

2,6-Diazaspiro[3.3]heptane

2,6-Diazaspiro[3.3]heptane

C5H10N2 (98.0844)


   

Cyclopentanecarbaldehyde

Cyclopentanecarbaldehyde

C6H10O (98.0732)


   

1,2-(2H4)Ethanedithiol

1,2-(2H4)Ethanedithiol

C2H2D4S2 (98.0162)


   

2-methylidenepentanal

2-methylidenepentanal

C6H10O (98.0732)


   

1-Methyl-1,3-dihydro-imidazol-2-one

1-Methyl-1,3-dihydro-imidazol-2-one

C4H6N2O (98.048)


   

Sodium Methoxyethanolate

Sodium Methoxyethanolate

C3H7NaO2 (98.0344)


   

2-(3-Buten-1-yl)oxirane

2-(3-Buten-1-yl)oxirane

C6H10O (98.0732)


   

5-Hexyn-3-ol

5-Hexyn-3-ol

C6H10O (98.0732)


   

3-methyl-2-pyrazolin-5-one

3-methyl-2-pyrazolin-5-one

C4H6N2O (98.048)


   

2-METHOXYFURAN

2-METHOXYFURAN

C5H6O2 (98.0368)


   

2-Cyano-N-methylacetamide

2-Cyano-N-methylacetamide

C4H6N2O (98.048)


   

1,5-Hexadien-3-ol

1,5-Hexadien-3-ol

C6H10O (98.0732)


   

3-(Ethylamino)propionitrile

3-(Ethylamino)propionitrile

C5H10N2 (98.0844)


   

Technetium

technetium atom

Tc (98)


   

1-Methyl-1H-1,2,3-triazol-4-amine

1-Methyl-1H-1,2,3-triazol-4-amine

C3H6N4 (98.0592)


   

5-Amino-1-Methyl-1,2,3-triazole

5-Amino-1-Methyl-1,2,3-triazole

C3H6N4 (98.0592)


   

SODIUM 2-PROPANETHIOLATE

SODIUM 2-PROPANETHIOLATE

C3H7NaS (98.0166)


   

2-Fluoropyrazine

2-Fluoropyrazine

C4H3FN2 (98.028)


   

2-cyclobutylacetaldehyde

2-cyclobutylacetaldehyde

C6H10O (98.0732)


   

5-Hexyn-1-ol

5-Hexyn-1-ol

C6H10O (98.0732)


   

1-(1H-1,2,4-Triazol-5-yl)methanamine

1-(1H-1,2,4-Triazol-5-yl)methanamine

C3H6N4 (98.0592)


   

2-METHYL-3-PENTYN-2-OL

2-METHYL-3-PENTYN-2-OL

C6H10O (98.0732)


   

Oxazol-4-ylmethanamine

Oxazol-4-ylmethanamine

C4H6N2O (98.048)


   

Propargyl acetate

Propargyl acetate

C5H6O2 (98.0368)


   

1H-pyrazole-3,5-diamine

1H-pyrazole-3,5-diamine

C3H6N4 (98.0592)


   

3-Hexyn-2-ol

3-Hexyn-2-ol

C6H10O (98.0732)


   

(R)-4-HYDROXYCYCLOPENT-2-ENONE

(R)-4-HYDROXYCYCLOPENT-2-ENONE

C5H6O2 (98.0368)


   

1,2,3-trifluoropropane

1,2,3-trifluoropropane

C3H5F3 (98.0343)


   

cyclopropylacetone

cyclopropylacetone

C6H10O (98.0732)


   

Acetylcyclobutane

Acetylcyclobutane

C6H10O (98.0732)


   

2-METHYLOXAZOL-5-AMINE

2-METHYLOXAZOL-5-AMINE

C4H6N2O (98.048)


   

Oxazol-5-ylmethanamine

Oxazol-5-ylmethanamine

C4H6N2O (98.048)


   

2,4-Hexadien-1-ol

Trans,trans-2,4-hexadien-1-ol

C6H10O (98.0732)


2,4-hexadien-1-ol is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. 2,4-hexadien-1-ol is soluble (in water) and an extremely weak acidic compound (based on its pKa). 2,4-hexadien-1-ol is a sweet, almond, and green tasting compound found in soy bean, which makes 2,4-hexadien-1-ol a potential biomarker for the consumption of this food product. 2,4-hexadien-1-ol may be a unique S.cerevisiae (yeast) metabolite.

   

1H-pyrazol-3-ylmethanol

1H-pyrazol-3-ylmethanol

C4H6N2O (98.048)


   

PIPERIDIN-2-IMINE

2,3,4,5-tetrahydropyridin-6-amine

C5H10N2 (98.0844)


   

2-Pentynoicacid

2-Pentynoicacid

C5H6O2 (98.0368)


   

2-Hexyn-1-ol

2-Hexyn-1-ol

C6H10O (98.0732)


   

5-Isoxazolemethanamine

5-Isoxazolemethanamine

C4H6N2O (98.048)


   

4-METHYLOXAZOL-5-AMINE

4-METHYLOXAZOL-5-AMINE

C4H6N2O (98.048)


   

2-ethylimidazoline

2-Ethyl-2-imidazoline

C5H10N2 (98.0844)


   

2-OXABICYCLO[4.1.0]HEPTANE

2-OXABICYCLO[4.1.0]HEPTANE

C6H10O (98.0732)


   

4-Pentynoic acid

4-Pentynoic acid

C5H6O2 (98.0368)


   

4-HEXYN-3-OL

4-HEXYN-3-OL

C6H10O (98.0732)


   

UNII:N603804P52

3-Methylcyclopentanone

C6H10O (98.0732)


   

5,6-DIHYDRO-2H-PYRAN-2-ONE

5,6-DIHYDRO-2H-PYRAN-2-ONE

C5H6O2 (98.0368)


   

Potassium isopropoxide

Potassium isopropoxide

C3H7KO (98.0134)


   

3,6-diazabicyclo[3.2.0]heptane

3,6-diazabicyclo[3.2.0]heptane

C5H10N2 (98.0844)


   

3-methyl-1H-1,2,4-triazol-5-amine

3-methyl-1H-1,2,4-triazol-5-amine

C3H6N4 (98.0592)


   

3-methyl-3-penten-2-ol

3-methyl-3-penten-2-ol

C6H10O (98.0732)


   

α-angelica lactone

gamma-Methylene-gamma-butyrolactone

C5H6O2 (98.0368)


   

n-(cyanomethyl)acetamide

n-(cyanomethyl)acetamide

C4H6N2O (98.048)


   

4-fluoropyrimidine

4-fluoropyrimidine

C4H3FN2 (98.028)


   

4-Hydroxy-2-cyclopentenone

4-Hydroxy-2-cyclopentenone

C5H6O2 (98.0368)


   

1-Methyl-1H-pyrazol-5(4H)-one

1-Methyl-1H-pyrazol-5(4H)-one

C4H6N2O (98.048)


   

1-Methyl-1,2-dihydro-3H-pyrazol-3-one

1-Methyl-1,2-dihydro-3H-pyrazol-3-one

C4H6N2O (98.048)


   

Methyl 1-methylcyclopropyl ketone

Methyl 1-methylcyclopropyl ketone

C6H10O (98.0732)


   

2-METHYLOXAZOL-4-AMINE

2-METHYLOXAZOL-4-AMINE

C4H6N2O (98.048)


   

1-(prop-2-ynyl)urea

1-(prop-2-ynyl)urea

C4H6N2O (98.048)


   

1-Pentyn-3-ol,4-methyl-

1-Pentyn-3-ol,4-methyl-

C6H10O (98.0732)


   

5-Methyl-1,3-oxazol-2-amine

5-Methyl-1,3-oxazol-2-amine

C4H6N2O (98.048)


   

2-methyl-3-methylamino-propanenitrile

2-methyl-3-methylamino-propanenitrile

C5H10N2 (98.0844)


   

4-Pentyn-2-ol,2-methyl-

4-Pentyn-2-ol,2-methyl-

C6H10O (98.0732)


   

(R)-3-AMINO PENTANENITRILE

(R)-3-AMINO PENTANENITRILE

C5H10N2 (98.0844)


   

bicyclo[3.1.0]hexan-3-ol

bicyclo[3.1.0]hexan-3-ol

C6H10O (98.0732)


   

2-Amino-2-methylbutanenitrile

2-Amino-2-methylbutanenitrile

C5H10N2 (98.0844)


   

2H-Pyran-3(6H)-one

2H-Pyran-3(6H)-one

C5H6O2 (98.0368)


   

2-CYCLOPROPYL-ACETAMIDINE

2-CYCLOPROPYL-ACETAMIDINE

C5H10N2 (98.0844)


   

ethyl prop-2-ynoate

ethyl prop-2-ynoate

C5H6O2 (98.0368)


   

2-Methylamino-Oxazole

2-Methylamino-Oxazole

C4H6N2O (98.048)


   

(R)-(+)-3-BUTYN-2-OL

(R)-(+)-3-BUTYN-2-OL

C6H10O (98.0732)


   

TMS-acetylene

TMS-acetylene

C5H10Si (98.0552)


   

Cyanamide, diethyl-

Cyanamide, diethyl-

C5H10N2 (98.0844)


   

Ethyl propiolate

Ethyl propiolate

C5H6O2 (98.0368)


   

(1H-Pyrazol-1-yl)methanol

(1H-Pyrazol-1-yl)methanol

C4H6N2O (98.048)


   

2-Methyl-2-pentenal

2-Methyl-2-pentenal

C6H10O (98.0732)


   

1,3-Cyclopentanedione

1,3-Cyclopentanedione

C5H6O2 (98.0368)


   

2-ethyl-1,3,4-oxadiazole

2-ethyl-1,3,4-oxadiazole

C4H6N2O (98.048)


   

4-METHYLISOXAZOL-3-AMINE

4-METHYLISOXAZOL-3-AMINE

C4H6N2O (98.048)


   

1H-Imidazol-1-ylmethanol

1H-Imidazol-1-ylmethanol

C4H6N2O (98.048)


   

2-(ISOPROPYLAMINO)ACETONITRILE

2-(ISOPROPYLAMINO)ACETONITRILE

C5H10N2 (98.0844)


   

(1R,2S)-cyclopropane-1,2-dicarbaldehyde

(1R,2S)-cyclopropane-1,2-dicarbaldehyde

C5H6O2 (98.0368)


   

1,2-Cyclopropanedicarbaldehyde

1,2-Cyclopropanedicarbaldehyde

C5H6O2 (98.0368)


   

trans-cyclopropane-1,2-dicarbaldehyde

trans-cyclopropane-1,2-dicarbaldehyde

C5H6O2 (98.0368)


   

n-propyl-3,3,3-d3-amine hcl

n-propyl-3,3,3-d3-amine hcl

C3H7ClD3N (98.069)


   

1H-Imidazol-2-ylmethanol

1H-Imidazol-2-ylmethanol

C4H6N2O (98.048)


   

SODIUM 1-PROPANETHIOLATE

SODIUM 1-PROPANETHIOLATE

C3H7NaS (98.0166)


   

(3-methylenecyclobutyl)methanol

(3-methylenecyclobutyl)methanol

C6H10O (98.0732)


   

2,5-Diazabicyclo[2.2.1]heptane

2,5-Diazabicyclo[2.2.1]heptane

C5H10N2 (98.0844)


   

3-Methylcyclopentanone

3-Methylcyclopentanone

C6H10O (98.0732)


   

3,4-dihydro-5-methyl-2H-Pyran

3,4-dihydro-5-methyl-2H-Pyran

C6H10O (98.0732)


   

2-Ethylcrotonaldehyde

2-Ethylcrotonaldehyde

C6H10O (98.0732)


   

4-METHYLISOXAZOL-5-AMINE

4-METHYLISOXAZOL-5-AMINE

C4H6N2O (98.048)


   

3-methyl-1H-pyrazol-5-ol

3-methyl-1H-pyrazol-5-ol

C4H6N2O (98.048)


   

Methyl 2-butynoate

Methyl 2-butynoate

C5H6O2 (98.0368)


   

(2-ethenylcyclopropyl)methanol

(2-ethenylcyclopropyl)methanol

C6H10O (98.0732)


   

3,5-dimethyl-1,2,4-oxadiazole

3,5-dimethyl-1,2,4-oxadiazole

C4H6N2O (98.048)


   

4H-1,2,4-Triazol-3-amine,4-methyl-

4H-1,2,4-Triazol-3-amine,4-methyl-

C3H6N4 (98.0592)


   

1,3,4-oxadiazole-2-carbaldehyde

1,3,4-oxadiazole-2-carbaldehyde

C3H2N2O2 (98.0116)


   

furan-2,5-dione

furan-2,5-dione

C4H2O3 (98.0004)


   

(2H5)Aniline

(2H5)Aniline

C6H2D5N (98.0892)


   

2-methylidenecyclopropane-1-carboxylic acid

2-methylidenecyclopropane-1-carboxylic acid

C5H6O2 (98.0368)


   

5-Hydroxy-1-methylpyrazole

5-Hydroxy-1-methylpyrazole

C4H6N2O (98.048)


   

(2S)-2-(3-Buten-1-yl)oxirane

(2S)-2-(3-Buten-1-yl)oxirane

C6H10O (98.0732)


   

METHYL-1 2-CYCLOPENTENE OXIDE

METHYL-1 2-CYCLOPENTENE OXIDE

C6H10O (98.0732)


   

METHYL 2 3-BUTADIENOATE

METHYL 2 3-BUTADIENOATE

C5H6O2 (98.0368)


   

cyclohex-3-en-1-ol

cyclohex-3-en-1-ol

C6H10O (98.0732)


   

3-Hexynol

3-Hexynol

C6H10O (98.0732)


   

3-METHYLISOXAZOL-4-AMINE

3-METHYLISOXAZOL-4-AMINE

C4H6N2O (98.048)


   

Technetium Tc-99m

Technetium Tc-99m

Tc (98)


V - Various > V09 - Diagnostic radiopharmaceuticals > V09E - Respiratory system > V09EA - Technetium (99mtc), inhalants V - Various > V09 - Diagnostic radiopharmaceuticals > V09I - Tumour detection > V09IA - Technetium (99mtc) compounds

   

Acetylacrolein

Acetylacrolein

C5H6O2 (98.0368)


   

2-Methyl-2-pentenal, (2Z)-

2-Methyl-2-pentenal, (2Z)-

C6H10O (98.0732)


   

Glutaconaldehyde

Glutaconaldehyde

C5H6O2 (98.0368)


   

4-METHYL-2-PENTENAL

4-METHYL-2-PENTENAL

C6H10O (98.0732)


   

3-HEXEN-2-ONE

3-HEXEN-2-ONE

C6H10O (98.0732)


An enone that is hex-3-ene in which the methylene hydrogen atoms at position 2 have been replaced by an oxo group.

   

Cyclohexenol

Cyclohexenol

C6H10O (98.0732)


   

2-Aminopentanenitrile

2-Aminopentanenitrile

C5H10N2 (98.0844)


   

4-Hexen-3-one, (4Z)-

4-Hexen-3-one, (4Z)-

C6H10O (98.0732)


   

Dimethyl ethynylboronate

Dimethyl ethynylboronate

C4H7BO2 (98.0539)


   

2-Pyrazoline, 1,5-dimethyl-

2-Pyrazoline, 1,5-dimethyl-

C5H10N2 (98.0844)


   

1-Cyclopentene-1-methanol

1-Cyclopentene-1-methanol

C6H10O (98.0732)


   

3,6-Dihydro-4-methyl-2H-pyran

3,6-Dihydro-4-methyl-2H-pyran

C6H10O (98.0732)


   

Silinane

Silinane

C5H10Si (98.0552)


   

1H-Pyrazole, 3-ethyl-4,5-dihydro-

1H-Pyrazole, 3-ethyl-4,5-dihydro-

C5H10N2 (98.0844)


   

1H-Pyrazole, 4,5-dihydro-5,5-dimethyl-

1H-Pyrazole, 4,5-dihydro-5,5-dimethyl-

C5H10N2 (98.0844)


   

1H-Pyrazole, 4,5-dihydro-4,5-dimethyl-

1H-Pyrazole, 4,5-dihydro-4,5-dimethyl-

C5H10N2 (98.0844)


   

3-Methyl-2,4-pentadien-1-ol

3-Methyl-2,4-pentadien-1-ol

C6H10O (98.0732)


   

(3S)-2,3,4,5-Tetrahydropyridin-3-amine

(3S)-2,3,4,5-Tetrahydropyridin-3-amine

C5H10N2 (98.0844)


   

methylpentynol

3-Methyl-1-pentyn-3-ol

C6H10O (98.0732)


N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic

   

Anone

Cyclohexanone [UN1915] [Flammable liquid]

C6H10O (98.0732)


   

AI3-24283

Maleic anhydride, homopolymer, diphenyl terminated

C4H2O3 (98.0004)


   

Hexenal

4-01-00-03468 (Beilstein Handbook Reference)

C6H10O (98.0732)


Trans-?2-?Hexenal can be used for the determination of low-molecular-weight carbonyl compounds which are reactive with biological nucleophiles in biological samples[1]. Trans-?2-?Hexenal can be used for the determination of low-molecular-weight carbonyl compounds which are reactive with biological nucleophiles in biological samples[1].

   

(5R)-5-methyl-5H-furan-2-one

(5R)-5-methyl-5H-furan-2-one

C5H6O2 (98.0368)


   

1629-60-3

Propyl vinyl ketone

C6H10O (98.0732)


   

623-36-9

.alpha.-Methyl-.beta.-ethylacrolein

C6H10O (98.0732)


   

LS-2036

5-17-03-00338 (Beilstein Handbook Reference)

C5H6O2 (98.0368)


   

AI3-04326

3-PENTENOIC ACID,4-HYDROXY,LACTONE ALPHA-ANGELICA-LACTONE

C5H6O2 (98.0368)


α-Angelica lactone is a naturally occurring anticarcinogen and an vinylogous nucleophile. α-Angelica lactone can give the chiral δ-amino γ,γ-disubstituted butenolide carbonyl derivatives and exhibitselectrophilic trapping at the γ-carbon. α-Angelica lactone exerts strong chemoprotective effects by selective enhancement of glutathione-S-thansferase (GST) and UDP-glucononosyltransferase (UGT) detoxification enzymes[1][2][3][4]. α-Angelica lactone is a naturally occurring anticarcinogen and an vinylogous nucleophile. α-Angelica lactone can give the chiral δ-amino γ,γ-disubstituted butenolide carbonyl derivatives and exhibitselectrophilic trapping at the γ-carbon. α-Angelica lactone exerts strong chemoprotective effects by selective enhancement of glutathione-S-thansferase (GST) and UDP-glucononosyltransferase (UGT) detoxification enzymes[1][2][3][4].

   

616-44-4

5-17-01-00331 (Beilstein Handbook Reference)

C5H6S (98.019)


D001697 - Biomedical and Dental Materials

   

763-93-9

1-Butenyl methyl ketone

C6H10O (98.0732)


   

3,3-dimethyl-2,4-dihydropyrazole

1H-Pyrazole, 4,5-dihydro-5,5-dimethyl-

C5H10N2 (98.0844)


   

Tulipane

.alpha.-Methylene-.gamma.-butyrolactone

C5H6O2 (98.0368)


D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents Tulipalin A (α-Methylene butyrolactone) is a glycoside. Tulipalin A is a causative allergen that induces Allergic contact dermatitides[1]. Tulipalin A (α-Methylene butyrolactone) at low dose affects the functionality of immune cells, such as Jurkat T cells[2]. Tulipalin A (α-Methylene butyrolactone) is a glycoside. Tulipalin A is a causative allergen that induces Allergic contact dermatitides[1]. Tulipalin A (α-Methylene butyrolactone) at low dose affects the functionality of immune cells, such as Jurkat T cells[2].

   

hexen-2-al

2-Hexen-1-al

C6H10O (98.0732)


2-hexenal, also known as hexobarbital, sodium or 3-propyl-acrolein, is a member of the class of compounds known as medium-chain aldehydes. Medium-chain aldehydes are an aldehyde with a chain length containing between 6 and 12 carbon atoms. 2-hexenal is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-hexenal is a sweet, almond, and apple tasting compound and can be found in a number of food items such as apple, burdock, pot marjoram, and soy bean, which makes 2-hexenal a potential biomarker for the consumption of these food products. 2-hexenal can be found primarily in blood, feces, and saliva. 2-hexenal is a non-carcinogenic (not listed by IARC) potentially toxic compound.

   

2-Methylbut-2-ene-1,4-dial

2-Methylbut-2-ene-1,4-dial

C5H6O2 (98.0368)


   

5-Methylfuran-3(2H)-one

5-Methylfuran-3(2H)-one

C5H6O2 (98.0368)


   

CID 57465876

CID 57465876

C5H8NO (98.0606)


   

(S)-5-methylfuran-2(5H)-one

(S)-5-methylfuran-2(5H)-one

C5H6O2 (98.0368)


   

3,6-dihydro-2H-pyran-2-one

3,6-dihydro-2H-pyran-2-one

C5H6O2 (98.0368)


   

3-Methylcyclopent-1-en-1-ol

3-Methylcyclopent-1-en-1-ol

C6H10O (98.0732)


   

3-Isocyanopropanoate

3-Isocyanopropanoate

C4H4NO2- (98.0242)


   

Cyclohexene 1-oxide

Cyclohexene 1-oxide

C6H10O (98.0732)


   

2-Methylcyclopentanone (2,5,5-D3)

2-Methylcyclopentanone (2,5,5-D3)

C6H10O (98.0732)


   

2-Methylcyclopentanone-D3(methyl)

2-Methylcyclopentanone-D3(methyl)

C6H10O (98.0732)


   

Silacyclohexane (2,2,6,6-D4)

Silacyclohexane (2,2,6,6-D4)

C5H10Si (98.0552)


   

3-Methylcyclopentanone (2,2,5,5-D4)

3-Methylcyclopentanone (2,2,5,5-D4)

C6H10O (98.0732)


   

Acetaldehyde, 2-propenylhydrazone

Acetaldehyde, 2-propenylhydrazone

C5H10N2 (98.0844)


   

Tulipalin_A

4-(3-FORMYL-2,5-DIMETHYL-1H-PYRROL-1-YL)BENZENECARBOXYLICACID

C5H6O2 (98.0368)


Alpha-methylene gamma-butyrolactone is a butan-4-olide having a methylene group at the 3-position. It has a role as a gastrointestinal drug and an anti-ulcer drug. alpha-Methylene-gamma-butyrolactone is a natural product found in Tulipa agenensis, Tulipa humilis, and other organisms with data available. D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents Tulipalin A (α-Methylene butyrolactone) is a glycoside. Tulipalin A is a causative allergen that induces Allergic contact dermatitides[1]. Tulipalin A (α-Methylene butyrolactone) at low dose affects the functionality of immune cells, such as Jurkat T cells[2]. Tulipalin A (α-Methylene butyrolactone) is a glycoside. Tulipalin A is a causative allergen that induces Allergic contact dermatitides[1]. Tulipalin A (α-Methylene butyrolactone) at low dose affects the functionality of immune cells, such as Jurkat T cells[2].

   

Polycyclohexanone

Polycyclohexanone

C6H10O (98.0732)


A cyclic ketone that consists of cyclohexane bearing a single oxo substituent.

   

FURFURYL ALCOHOL

FURFURYL ALCOHOL

C5H6O2 (98.0368)


   

4-Hexen-3-one

(4E)-4-Hexen-3-one

C6H10O (98.0732)


An enone that is hex-2-ene in which the two methylene hydrogens at position 4 have been replaced by an oxo group.

   

MESITYL OXIDE

MESITYL OXIDE

C6H10O (98.0732)


   

3-METHYLTHIOPHENE

3-METHYLTHIOPHENE

C5H6S (98.019)


D001697 - Biomedical and Dental Materials

   

5-methyl-2(5H)-furanone

5-methyl-2(5H)-furanone

C5H6O2 (98.0368)


   

4-Penten-2-one, 4-methyl-

4-Penten-2-one, 4-methyl-

C6H10O (98.0732)


   

2-Methyl-4-pentenal

2-METHYL-PENT-4-ENAL

C6H10O (98.0732)


   

(2Z)-hexenal

(2Z)-hexenal

C6H10O (98.0732)


A 2-hexenal in which the olefinic double bond has Z configuration.

   

4-Hydroxymethylpyrazole

(1H-Pyrazol-4-YL)methanol

C4H6N2O (98.048)


4-Hydroxymethylpyrazole is the primary metabolite of Fomepizole (HY-B0876). Fomepizole is a competitive inhibitor of the enzyme alcohol dehydrogenase[1].

   

2,4-Dimethyl-2-imidazoline

2,5-dimethyl-4,5-dihydro-1H-imidazole

C5H10N2 (98.0844)


   

3,4-dihydro-2H-Pyran-2-one

3,4-dihydro-2H-Pyran-2-one

C5H6O2 (98.0368)


   

(Z)-4-hexen-3-one

(Z)-4-hexen-3-one

C6H10O (98.0732)


A 4-hexen-3-one in which the double bond adopts a cis-configuration.

   

(R)-5-methylfuran-2(5H)-one

(R)-5-methylfuran-2(5H)-one

C5H6O2 (98.0368)


   

(E)-4-Hexen-3-one

(E)-4-Hexen-3-one

C6H10O (98.0732)


A 4-hexen-3-one in which the double bond adopts a trans-configuration.

   

(2e)-hexenal

(2e)-hexenal

C6H10O (98.0732)


A 2-hexenal in which the olefinic double bond has E configuration. It occurs naturally in a wide range of fruits, vegetables, and spices.

   

(E)-penta-2,4-dienoic acid

(E)-penta-2,4-dienoic acid

C5H6O2 (98.0368)


The (E)-isomer of penta-2,4-dienoic acid.

   

Pentadienoic acid

Pentadienoic acid

C5H6O2 (98.0368)


   

Propyl acrolein

Propyl acrolein

C6H10O (98.0732)


   

Hexenone

Hexenone

C6H10O (98.0732)


   

Methylthiophene

Methylthiophene

C5H6S (98.019)


   

1-Cyclohexen-l-ol

NA

C6H10O (98.0732)


{"Ingredient_id": "HBIN002462","Ingredient_name": "1-Cyclohexen-l-ol","Alias": "NA","Ingredient_formula": "C6H10O","Ingredient_Smile": "C1CCC(=CC1)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37978","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

2-ethyl-3-vinyl oxirane

NA

C6H10O (98.0732)


{"Ingredient_id": "HBIN005610","Ingredient_name": "2-ethyl-3-vinyl oxirane","Alias": "NA","Ingredient_formula": "C6H10O","Ingredient_Smile": "CCC1C(O1)C=C","Ingredient_weight": "98.14 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37773","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "534767","DrugBank_id": "NA"}

   

2h-pyran,3,4-dihydro-6-methyl

NA

C6H10O (98.0732)


{"Ingredient_id": "HBIN005703","Ingredient_name": "2h-pyran,3,4-dihydro-6-methyl","Alias": "NA","Ingredient_formula": "C6H10O","Ingredient_Smile": "CC1=CCCCO1","Ingredient_weight": "98.14 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8632","PubChem_id": "27627","DrugBank_id": "NA"}

   

2-methylcyclopentanone

(2S)-2-methylcyclopentan-1-one; AJ-33209; 2-methyl-cyclopentanone; 2beta-Methylcyclopentanone; AC1OE5RY; (s)-2-methylcyclopentanone; ZINC2039888

C6H10O (98.0732)


{"Ingredient_id": "HBIN006041","Ingredient_name": "2-methylcyclopentanone","Alias": "(2S)-2-methylcyclopentan-1-one; AJ-33209; 2-methyl-cyclopentanone; 2beta-Methylcyclopentanone; AC1OE5RY; (s)-2-methylcyclopentanone; ZINC2039888","Ingredient_formula": "C6H10O","Ingredient_Smile": "CC1CCCC1=O","Ingredient_weight": "98.14 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT16577","TCMID_id": "14268;39494","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "6999932","DrugBank_id": "NA"}

   

2-Methylene cyclopentanol

NA

C6H10O (98.0732)


{"Ingredient_id": "HBIN006051","Ingredient_name": "2-Methylene cyclopentanol","Alias": "NA","Ingredient_formula": "C6H10O","Ingredient_Smile": "C=C1CCCC1O","Ingredient_weight": "98.14 g/mol","OB_score": "54.59715341","CAS_id": "NA","SymMap_id": "SMIT07340","TCMID_id": "NA","TCMSP_id": "MOL005611","TCM_ID_id": "NA","PubChem_id": "550922","DrugBank_id": "NA"}

   

3-cyanopropanamide

EINECS 263-303-9; 61892-68-0; 3-Cyanopropionamide

C4H6N2O (98.048)


{"Ingredient_id": "HBIN008397","Ingredient_name": "3-cyanopropanamide","Alias": "EINECS 263-303-9; 61892-68-0; 3-Cyanopropionamide","Ingredient_formula": "C4H6N2O","Ingredient_Smile": "C(CC(=O)N)C#N","Ingredient_weight": "98.1","OB_score": "76.95555949","CAS_id": "61892-68-0","SymMap_id": "SMIT13538","TCMID_id": "NA","TCMSP_id": "MOL012808","TCM_ID_id": "NA","PubChem_id": "3017295","DrugBank_id": "NA"}

   

3-Pentenal,4-methyl

NA

C6H10O (98.0732)


{"Ingredient_id": "HBIN009450","Ingredient_name": "3-Pentenal,4-methyl","Alias": "NA","Ingredient_formula": "C6H10O","Ingredient_Smile": "CC(=CCC=O)C","Ingredient_weight": "98.14 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40557","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21457","DrugBank_id": "NA"}

   

3-pentenal,4-methyl-

NA

C6H10O (98.0732)


{"Ingredient_id": "HBIN009451","Ingredient_name": "3-pentenal,4-methyl-","Alias": "NA","Ingredient_formula": "C6H10O","Ingredient_Smile": "CC(=CCC=O)C","Ingredient_weight": "98.14 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40556","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21457","DrugBank_id": "NA"}

   

4-hydroxycyclopent-2-en-1-one

4-hydroxycyclopent-2-en-1-one

C5H6O2 (98.0368)


   

(1s)-cyclohex-2-en-1-ol

(1s)-cyclohex-2-en-1-ol

C6H10O (98.0732)


   

4-methyl-5h-furan-2-one

4-methyl-5h-furan-2-one

C5H6O2 (98.0368)


   

cyclopentanone, 2-methyl-

cyclopentanone, 2-methyl-

C6H10O (98.0732)


   

hex-5-en-3-one

hex-5-en-3-one

C6H10O (98.0732)


   

(2z)-2-methyl-2-pentenal

(2z)-2-methyl-2-pentenal

C6H10O (98.0732)


   

4-methylpent-1-yn-1-ol

4-methylpent-1-yn-1-ol

C6H10O (98.0732)


   

4-methylpent-1-en-3-one

4-methylpent-1-en-3-one

C6H10O (98.0732)


   

2-butenal, 2-ethyl-

2-butenal, 2-ethyl-

C6H10O (98.0732)


   

(2s)-2-methylpent-4-enal

(2s)-2-methylpent-4-enal

C6H10O (98.0732)


   

5-methyl-2,3-dihydroimidazol-4-one

5-methyl-2,3-dihydroimidazol-4-one

C4H6N2O (98.048)


   

(e)-2,4-pentadienoic acid

(e)-2,4-pentadienoic acid

C5H6O2 (98.0368)