Chemical Formula: C16H22O4

Chemical Formula C16H22O4

Found 140 metabolite its formula value is C16H22O4

Dibutyl phthalate

Dibutyl Phthalate, Pharmaceutical Secondary Standard; Certified Reference Material

C16H22O4 (278.1518012)


Di-n-phtalate is a manufactured chemical that does not occur naturally. It is an odorless and oily liquid that is colorless to faint yellow in color. It is slightly soluble in water and does not evaporate easily. Di-n-phtalate is used to make plastics more flexible and is also in carpet backings, paints, glue, insect repellents, hair spray, nail polish, and rocket fuel. N-butyl phthalate is a colorless oily liquid. It is insoluble in water. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment. Since it is a liquid it can easily penetrate the soil and contaminate groundwater and nearby streams. It is combustible though it may take some effort to ignite. It is used in paints and plastics and as a reaction media for chemical reactions. Dibutyl phthalate is a phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of butan-1-ol. Although used extensively as a plasticiser, it is a ubiquitous environmental contaminant that poses a risk to humans. It has a role as an environmental contaminant, a teratogenic agent, a plasticiser, a metabolite and an EC 3.2.1.20 (alpha-glucosidase) inhibitor. It is a phthalate ester and a diester. It is functionally related to a butan-1-ol. Dibutyl phthalate is used in making flexible plastics that are found in a variety of consumer products. It appears to have relatively low acute (short-term) and chronic (long-term) toxicity. No information is available regarding the effects in humans from inhalation or oral exposure to dibutyl phthalate, and only minimal effects have been noted in animals exposed by inhalation. No studies are available on the reproductive, developmental, or carcinogenic effects of dibutyl phthalate in humans. Animal studies have reported developmental and reproductive effects from oral exposure. EPA has classified dibutyl phthalate as a Group D, not classifiable as to human carcinogenicity. Dibutyl phthalate is a natural product found in Scutellaria amoena, Eleutherococcus sessiliflorus, and other organisms with data available. Dibutyl phthalate is found in cloves. DBP was added to the California Proposition 65 (1986) list of suspected teratogens in November 2006. It is a suspected endocrine disruptor. It was used in some nail polishes; all major producers began eliminating this chemical from nail polishes in the Fall of 2006. Dibutyl phthalate (DBP) is a commonly used plasticizer. It is also used as an additive to adhesives or printing inks. It is soluble in various organic solvents, e.g. in alcohol, ether and benzene. DBP is also used as an ectoparasiticide. A plasticizer used in most plastics and found in water, air, soil, plants and animals. It may have some adverse effects with long-term exposure. DBP was added to the California Proposition 65 (1986) list of suspected teratogens in November 2006. It is a suspected endocrine disruptor. It was used in some nail polishes; all major producers began eliminating this chemical from nail polishes in the Fall of 2006.; Dibutyl phthalate (DBP) is a commonly used plasticizer. It is also used as an additive to adhesives or printing inks. It is soluble in various organic solvents, e.g. in alcohol, ether and benzene. DBP is also used as an ectoparasiticide. Dibutyl phthalate is found in kohlrabi and cloves. Dibutyl phthalate is found in cloves. DBP was added to the California Proposition 65 (1986) list of suspected teratogens in November 2006. It is a suspected endocrine disruptor. It was used in some nail polishes; all major producers began eliminating this chemical from nail polishes in the Fall of 2006. Dibutyl phthalate (DBP) is a commonly used plasticizer. It is also used as an additive to adhesives or printing inks. It is soluble in various organic solvents, e.g. in alcohol, ether and benzene. DBP is also used as an ectoparasiticide. A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of butan-1-ol. Although used extensively as a plasticiser, it is a ubiquitous environmental contaminant that poses a risk to humans. P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03B - Insecticides and repellents D010968 - Plasticizers ATC code: P03BX03 CONFIDENCE standard compound; INTERNAL_ID 823; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10079; ORIGINAL_PRECURSOR_SCAN_NO 10075 CONFIDENCE standard compound; INTERNAL_ID 823; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10082; ORIGINAL_PRECURSOR_SCAN_NO 10080 CONFIDENCE standard compound; INTERNAL_ID 823; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10083; ORIGINAL_PRECURSOR_SCAN_NO 10080 CONFIDENCE standard compound; INTERNAL_ID 823; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10016; ORIGINAL_PRECURSOR_SCAN_NO 10013 CONFIDENCE standard compound; INTERNAL_ID 823; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10065; ORIGINAL_PRECURSOR_SCAN_NO 10063 CONFIDENCE standard compound; INTERNAL_ID 823; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10036; ORIGINAL_PRECURSOR_SCAN_NO 10031 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3670 EAWAG_UCHEM_ID 3670; CONFIDENCE standard compound INTERNAL_ID 4180; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 4180 CONFIDENCE standard compound; INTERNAL_ID 8224 CONFIDENCE standard compound; INTERNAL_ID 199

   

Monoethylhexyl phthalic acid

1,2-Benzenedicarboxylic acid, mono(2-ethylhexyl) ester

C16H22O4 (278.1518012)


Monoethylhexyl phthalic acid (MEHP) is an active metabolite of Bis(2-ethylhexyl)phthalate (DEHP). DEHP measured from the blood of pregnant women have been significantly associated with the decreased penis width, shorter anogenital distance, and the incomplete descent of testes of their newborn sons, replicating effects identified in animals(Wikipedia). DEHP hydrolyzes to MEHP via the enzyme Bis(2-ethylhexyl)phthalate acylhydrolase(3.1.1.60)and subsequently to phthalate salts. The released alcohol is susceptible to oxidation to the aldehyde and carboxylic acid. Monoethylhexyl phthalic acid (MEHP) is an active metabolite of Bis(2-ethylhexyl)phthalate (DEHP). DEHP measured from the blood of pregnant women have been significantly associated with the decreased penis width, shorter anogenital distance, and the incomplete descent of testes of their newborn sons, replicating effects identified in animals. DEHP hydrolyzes to MEHP via the enzyme Bis(2-ethylhexyl)phthalate acylhydrolase(3.1.1.60)and subsequently to phthalate salts. The released alcohol is susceptible to oxidation to the aldehyde and carboxylic acid. [HMDB] CONFIDENCE standard compound; INTERNAL_ID 1238; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10026; ORIGINAL_PRECURSOR_SCAN_NO 10023 CONFIDENCE standard compound; INTERNAL_ID 1238; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4968; ORIGINAL_PRECURSOR_SCAN_NO 4967 CONFIDENCE standard compound; INTERNAL_ID 1238; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4980; ORIGINAL_PRECURSOR_SCAN_NO 4979 CONFIDENCE standard compound; INTERNAL_ID 1238; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4973; ORIGINAL_PRECURSOR_SCAN_NO 4971 CONFIDENCE standard compound; INTERNAL_ID 1238; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9948; ORIGINAL_PRECURSOR_SCAN_NO 9944 CONFIDENCE standard compound; INTERNAL_ID 1238; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9960; ORIGINAL_PRECURSOR_SCAN_NO 9957 CONFIDENCE standard compound; INTERNAL_ID 1238; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9947; ORIGINAL_PRECURSOR_SCAN_NO 9946 CONFIDENCE standard compound; INTERNAL_ID 1238; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9930; ORIGINAL_PRECURSOR_SCAN_NO 9925 CONFIDENCE standard compound; INTERNAL_ID 1238; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4975; ORIGINAL_PRECURSOR_SCAN_NO 4972 CONFIDENCE standard compound; INTERNAL_ID 1238; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4995; ORIGINAL_PRECURSOR_SCAN_NO 4994 CONFIDENCE standard compound; INTERNAL_ID 1238; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4973; ORIGINAL_PRECURSOR_SCAN_NO 4969 Phthalic acid mono-2-ethylhexyl ester (MEHP) is a major bioactive metabolite of diethylhexyl phthalate (DEHP), which inhibits the 17, 20 lyase activity of CYP17[1]. Phthalic acid mono-2-ethylhexyl ester (MEHP) is a major bioactive metabolite of diethylhexyl phthalate (DEHP), which inhibits the 17, 20 lyase activity of CYP17[1].

   

Diisobutyl phthalate

1,2-Benzenedicarboxylic acid, 1,2-bis(2-methylpropyl) ester

C16H22O4 (278.1518012)


Di-(2-methylpropyl)-phthalate, also known as dibp or isobutyl phthalate, is a member of the class of compounds known as benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid. Di-(2-methylpropyl)-phthalate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Di-(2-methylpropyl)-phthalate can be found in kohlrabi, which makes di-(2-methylpropyl)-phthalate a potential biomarker for the consumption of this food product. Di-(2-methylpropyl)-phthalate can be found primarily in urine. Di-(2-methylpropyl)-phthalate is a non-carcinogenic (not listed by IARC) potentially toxic compound. Phthalate esters are endocrine disruptors. Animal studies have shown that they disrupt reproductive development and can cause a number of malformations in affected young, such as reduced anogenital distance (AGD), cryptorchidism, hypospadias, and reduced fertility. The combination of effects associated with phthalates is called phthalate syndrome’ (A2883) (T3DB). DIBP is an odorless plasticizer and has excellent heat and light stability. It is the lowest cost plasticizer for cellulose nitrate. DIBP has lower density and freezing point than DBP (dibutyl phthalate, CAS No.: 84-74-2). It has similar properties as dibutyl phthalate and can be used as a substitute for it. CONFIDENCE standard compound; INTERNAL_ID 1189; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10016; ORIGINAL_PRECURSOR_SCAN_NO 10013 CONFIDENCE standard compound; INTERNAL_ID 1189; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10059; ORIGINAL_PRECURSOR_SCAN_NO 10056 CONFIDENCE standard compound; INTERNAL_ID 1189; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10032; ORIGINAL_PRECURSOR_SCAN_NO 10030 CONFIDENCE standard compound; INTERNAL_ID 1189; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10082; ORIGINAL_PRECURSOR_SCAN_NO 10080 CONFIDENCE standard compound; INTERNAL_ID 1189; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9953; ORIGINAL_PRECURSOR_SCAN_NO 9950 CONFIDENCE standard compound; INTERNAL_ID 1189; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9952; ORIGINAL_PRECURSOR_SCAN_NO 9950

   

alpha-CEHC

3-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)propanoic acid

C16H22O4 (278.1518012)


alpha-Carboxyethyl hydrochroman (alpha-CEHC) has been identified as a major water-soluble metabolite of vitamin E, which circulates in the blood and is excreted in the urine (PMID: 12420750). About one-third of the alpha-CEHC circulating in the blood is present as alpha-CEHC glucuronide (PMID: 10552913). 2,5,7,8-tetramethyl-2-(2-carboxyethyl)-6-hydroxychroman (alpha-CEHC) has been identified as a major water-soluble metabolite of vitamin E, which circulates in the blood and is excreted with the urine. (PMID 12420750) [HMDB]

   

Mono(1-ethylhexyl) phthalate

2-[(octan-3-yloxy)carbonyl]benzoic acid

C16H22O4 (278.1518012)


   

2,5,7,8-Tetramethyl-2-(2'-carboxyethyl)-6-hydroxychroman

Methyl 3-(6-hydroxy-5,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl)propanoic acid

C16H22O4 (278.1518012)


   

Dibutylphthalic acid

3,4-dibutylbenzene-1,2-dicarboxylic acid

C16H22O4 (278.1518012)


   

Monooctyl phthalate

1,2-Benzenedicarboxylic acid, monooctyl ester

C16H22O4 (278.1518012)


   

4-Ethyl-3-hexylphthalic acid

4-ethyl-3-hexylbenzene-1,2-dicarboxylic acid

C16H22O4 (278.1518012)


   

3-(2-Ethylhexyl)phthalic acid

3-(2-ethylhexyl)benzene-1,2-dicarboxylic acid

C16H22O4 (278.1518012)


   
   

Acrostalidic acid

Acrostalidic acid

C16H22O4 (278.1518012)


   

Norbotrydialone acetate

(-)-Norbotrydialone acetate

C16H22O4 (278.1518012)


   

(+)-Methyl abscisate

(+)-Methyl abscisate

C16H22O4 (278.1518012)


   

2-[4-Methyl-2-(2-methylpropoxy)phenyl]-oxiranemethanol acetate

2-[4-Methyl-2-(2-methylpropoxy)phenyl]-oxiranemethanol acetate

C16H22O4 (278.1518012)


   
   
   

4alpha,5alpha-Epoxy-3-oxo-4(15)-dihydrocostic acid methyl ester

4alpha,5alpha-Epoxy-3-oxo-4(15)-dihydrocostic acid methyl ester

C16H22O4 (278.1518012)


   
   

Isoacrostalidic acid

Isoacrostalidic acid

C16H22O4 (278.1518012)


   
   
   

Ivangulin

[3aR-[3aalpha,5(S*),7aalpha]]-2,3,3a,4,7,7a-Hexahydro-gamma,6-dimethyl-3-methylene-2-oxo-5-benzofuranbutanoic acid methyl ester

C16H22O4 (278.1518012)


   
   
   
   

1,5-dihydroxy-1-isopropyl-6-methoxy-4,7-dimethyl-tetralin-2-one

1,5-dihydroxy-1-isopropyl-6-methoxy-4,7-dimethyl-tetralin-2-one

C16H22O4 (278.1518012)


   
   

3,4-dimethoxycinnamyl isovalerate

3,4-dimethoxycinnamyl isovalerate

C16H22O4 (278.1518012)


   

4-Allyl-2,6-dimethoxyphenyl 3-methylbutanoate

4-Allyl-2,6-dimethoxyphenyl 3-methylbutanoate

C16H22O4 (278.1518012)


   

Emmotin A

(2R-trans)-3,4-Dihydro-2-hydroxy-3-(1-hydroxy-1-methylethyl)-8-(methoxymethyl)-5-methyl-1(2H)-naphthalenone

C16H22O4 (278.1518012)


   
   

5,5-dibutoxy-2,2-bifuran

5,5-dibutoxy-2,2-bifuran

C16H22O4 (278.1518012)


A ring assembly that consists of 2,2-bifuran substituted by butoxy groups at positions 5 and 5 respectively. It is isolated from the aerial parts of Chrysanthemum coronarium and acts as an inhibitor of human AcylCoA:cholesterol acyltransferase hACAT-1 and hACAT-2.

   

8-methoxy-9-O-angeloylthymol

8-methoxy-9-O-angeloylthymol

C16H22O4 (278.1518012)


A natural product found in Eupatorium cannabinum subspecies asiaticum.

   

1-[2,6-dihydroxy-4-methoxy-3-(3-methyl-2-butenyl)phenyl]-2-methyl-1-propanone

1-[2,6-dihydroxy-4-methoxy-3-(3-methyl-2-butenyl)phenyl]-2-methyl-1-propanone

C16H22O4 (278.1518012)


   

Butyl isobutyl phthalate

Butyl isobutyl phthalate

C16H22O4 (278.1518012)


   

1-[2,4-dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl]-2-methyl-1-propanone

1-[2,4-dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl]-2-methyl-1-propanone

C16H22O4 (278.1518012)


   

(3aS,5aR,7S,9aS,9bR)-9b-methyl-1-oxo-1,3,3a,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-7-ylmethyl acetate|oblongolide G

(3aS,5aR,7S,9aS,9bR)-9b-methyl-1-oxo-1,3,3a,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-7-ylmethyl acetate|oblongolide G

C16H22O4 (278.1518012)


   

ABSCISIC ACID METHYLESTER

ABSCISIC ACID METHYLESTER

C16H22O4 (278.1518012)


   

1,10-epoxy-8alpha-methoxyeremophilanolide|1beta,10beta-epoxy-8alpha-methoxyeremophil-1,7(11)-en-12,8beta-olide

1,10-epoxy-8alpha-methoxyeremophilanolide|1beta,10beta-epoxy-8alpha-methoxyeremophil-1,7(11)-en-12,8beta-olide

C16H22O4 (278.1518012)


   

2-Methyl-1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]butan-1-one

2-Methyl-1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]butan-1-one

C16H22O4 (278.1518012)


   
   

6alpha-methoxy-3-oxo-pinguis-5(10)-ene-11,6-olide|Me ester-6-Hydroxy-3-oxo-5(10)-pinguisen-11, 6-olide

6alpha-methoxy-3-oxo-pinguis-5(10)-ene-11,6-olide|Me ester-6-Hydroxy-3-oxo-5(10)-pinguisen-11, 6-olide

C16H22O4 (278.1518012)


   

Di-tert-butyl phthalate

Di-tert-butyl phthalate

C16H22O4 (278.1518012)


   

Me ester-Merulanic acid

Me ester-Merulanic acid

C16H22O4 (278.1518012)


   

1-(3,4-dihydro-5-hydroxy-7-methoxy-2,2-dimethyl-2 h -1-benzopyran-6-yl)-2-methyl-1-propanone

1-(3,4-dihydro-5-hydroxy-7-methoxy-2,2-dimethyl-2 h -1-benzopyran-6-yl)-2-methyl-1-propanone

C16H22O4 (278.1518012)


   

1-Acetoxy-2-isopropenyl-3-methylen-4-isobutyryloxy-cyclohexen-(5)

1-Acetoxy-2-isopropenyl-3-methylen-4-isobutyryloxy-cyclohexen-(5)

C16H22O4 (278.1518012)


   

8-Methoxy-9-hydroxythymol 3-O-tiglate

8-Methoxy-9-hydroxythymol 3-O-tiglate

C16H22O4 (278.1518012)


   

1beta-hydroxy-6(7),9(10)-dien-8-on-eremophila-12-acid methyl ester

1beta-hydroxy-6(7),9(10)-dien-8-on-eremophila-12-acid methyl ester

C16H22O4 (278.1518012)


   

Melampomagnolide A

Melampomagnolide A

C16H22O4 (278.1518012)


   

(4S,4aR,5S,9aR)-4a,5,6,7,9,9a-hexahydro-4-hydroxy-9a-methoxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one|6beta-hydroxy-8alpha-methoxyeremophila-(10),7(11)-dien-12,8beta-olide|6beta-hydroxy-8alpha-methoxyeremophila-1(10),7(11)-dien-12,8beta-olide|6??-Hydroxy-8??-methoxyeremophila-1(10),7(11)-dien-12,8??-olide|8-Me ether-6,8-Dihydroxy-1(10),7(11)-eremophiladien-12,8-olide

(4S,4aR,5S,9aR)-4a,5,6,7,9,9a-hexahydro-4-hydroxy-9a-methoxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one|6beta-hydroxy-8alpha-methoxyeremophila-(10),7(11)-dien-12,8beta-olide|6beta-hydroxy-8alpha-methoxyeremophila-1(10),7(11)-dien-12,8beta-olide|6??-Hydroxy-8??-methoxyeremophila-1(10),7(11)-dien-12,8??-olide|8-Me ether-6,8-Dihydroxy-1(10),7(11)-eremophiladien-12,8-olide

C16H22O4 (278.1518012)


   
   

2,2-Dimethyl-5,7-dimethoxy-6-(1-methoxyethyl)-2H-1-benzopyran

2,2-Dimethyl-5,7-dimethoxy-6-(1-methoxyethyl)-2H-1-benzopyran

C16H22O4 (278.1518012)


   

1beta-hydroxy-8alpha-methoxyeremophil-7(11),9-dien-8beta,12-olide

1beta-hydroxy-8alpha-methoxyeremophil-7(11),9-dien-8beta,12-olide

C16H22O4 (278.1518012)


   

de-O-methyllasiodiplodin

de-O-methyllasiodiplodin

C16H22O4 (278.1518012)


   
   

(Sp)-1,11-Dioxa-[11]paracyclophan-13-carbonsaeure|(sp)-1,11-dioxa-[11]paracyclophane-13-carboxylic acid

(Sp)-1,11-Dioxa-[11]paracyclophan-13-carbonsaeure|(sp)-1,11-dioxa-[11]paracyclophane-13-carboxylic acid

C16H22O4 (278.1518012)


   

(+)-4-dedhydro-oxoepijuvabione

(+)-4-dedhydro-oxoepijuvabione

C16H22O4 (278.1518012)


   

1-(3,4-dihydro-5-hydroxy-7-methoxy-2,2-dimethyl-2 h -1-benzopyran-8-yl)-2-methyl-1-propanone

1-(3,4-dihydro-5-hydroxy-7-methoxy-2,2-dimethyl-2 h -1-benzopyran-8-yl)-2-methyl-1-propanone

C16H22O4 (278.1518012)


   

dechloromonilidiol

dechloromonilidiol

C16H22O4 (278.1518012)


   

1-O-acetylbritannilactone|1-O-acetylbritannilatone

1-O-acetylbritannilactone|1-O-acetylbritannilatone

C16H22O4 (278.1518012)


   
   

Isobutyric acid 2-(2-acetoxy-1-methylethyl)-5-methylphenyl ester

Isobutyric acid 2-(2-acetoxy-1-methylethyl)-5-methylphenyl ester

C16H22O4 (278.1518012)


   

norambreinolide-18,6alpha-olide

norambreinolide-18,6alpha-olide

C16H22O4 (278.1518012)


   

2,4,6-Trihydroxy-2-methylbutyrophenon-4-O-3,3-dimethylallylether

2,4,6-Trihydroxy-2-methylbutyrophenon-4-O-3,3-dimethylallylether

C16H22O4 (278.1518012)


   
   

6-Methoxyeugenyl isovalerate

6-Methoxyeugenyl isovalerate

C16H22O4 (278.1518012)


   

5,5-diisobutoxy-2,2-bifuran

5,5-diisobutoxy-2,2-bifuran

C16H22O4 (278.1518012)


   

(+)-methyl sydowate

(+)-methyl sydowate

C16H22O4 (278.1518012)


   
   

(1alphaR,3R,4R,4alphaR,8alphaR,9alphaS)-3-methoxy-4,4alpha,6-trimethyl-1alpha,2,3,4,4alphaR,8alpha,9-octahydro-7H-oxirene[8,8alpha]naphtho[2,3beta]furan-7-one|daphnelnoid A

(1alphaR,3R,4R,4alphaR,8alphaR,9alphaS)-3-methoxy-4,4alpha,6-trimethyl-1alpha,2,3,4,4alphaR,8alpha,9-octahydro-7H-oxirene[8,8alpha]naphtho[2,3beta]furan-7-one|daphnelnoid A

C16H22O4 (278.1518012)


   
   

5alpha-Hydroxy-2alpha-methoxy-1(10), 3-guaiadien-12, 6alpha-olide|5alpha-hydroxy-2alpha-methoxy-11alphaH-guaia-1(10),3-dien-12,6alpha-olide

5alpha-Hydroxy-2alpha-methoxy-1(10), 3-guaiadien-12, 6alpha-olide|5alpha-hydroxy-2alpha-methoxy-11alphaH-guaia-1(10),3-dien-12,6alpha-olide

C16H22O4 (278.1518012)


   

heptyl 3-(3,4-dihydroxyphenyl)-2-propenoate

heptyl 3-(3,4-dihydroxyphenyl)-2-propenoate

C16H22O4 (278.1518012)


   
   

14-methyl hydrogen 12-hydroxydrim-8-ene-11,14-diate 11,12-lactone|polygonumate

14-methyl hydrogen 12-hydroxydrim-8-ene-11,14-diate 11,12-lactone|polygonumate

C16H22O4 (278.1518012)


   
   

(E )-7-(2-hydroxy-4-(hydroxymethyl)phenyl)-2-methyloct-6-enoic acid

(E )-7-(2-hydroxy-4-(hydroxymethyl)phenyl)-2-methyloct-6-enoic acid

C16H22O4 (278.1518012)


   

(+)-7-dehydro-BFA|13-oxobrefeldin|7-dehydrobrefeldin A|7-Ketobrefeldin|7-oxo-brefeldin-A|7-oxobrefeldin A|TX-1852

(+)-7-dehydro-BFA|13-oxobrefeldin|7-dehydrobrefeldin A|7-Ketobrefeldin|7-oxo-brefeldin-A|7-oxobrefeldin A|TX-1852

C16H22O4 (278.1518012)


   

(2R)-1-[2,6-dimethoxy-4-(prop-2-enyl)phenoxy]-3-methylbut-3-en-2-ol|lenisin B

(2R)-1-[2,6-dimethoxy-4-(prop-2-enyl)phenoxy]-3-methylbut-3-en-2-ol|lenisin B

C16H22O4 (278.1518012)


   
   
   

3-Methyl-2-butenoic acid 2-(1-methyl-1-methoxy-2-hydroxyethyl)-5-methylphenyl ester

3-Methyl-2-butenoic acid 2-(1-methyl-1-methoxy-2-hydroxyethyl)-5-methylphenyl ester

C16H22O4 (278.1518012)


   

6-Oxo-8alpha-methoxyepieremophilenolid|6-oxoeremophilenolide|8alpha-methoxy-6-oxoeremophil-7(11)-en-12,8-olide

6-Oxo-8alpha-methoxyepieremophilenolid|6-oxoeremophilenolide|8alpha-methoxy-6-oxoeremophil-7(11)-en-12,8-olide

C16H22O4 (278.1518012)


   
   

1,3-Benzodioxole-5-nonanoic acid

1,3-Benzodioxole-5-nonanoic acid

C16H22O4 (278.1518012)


   

Oxyglutinoson-acetat|oxyglutinosone acetate

Oxyglutinoson-acetat|oxyglutinosone acetate

C16H22O4 (278.1518012)


   

(4aR,6S,8aR,9aS)-6-hydroxyfurodysinin-O-methyl lactone

(4aR,6S,8aR,9aS)-6-hydroxyfurodysinin-O-methyl lactone

C16H22O4 (278.1518012)


   

methyl 1,2-dihydroxyherberten-12-oate

methyl 1,2-dihydroxyherberten-12-oate

C16H22O4 (278.1518012)


   

2,2-Dimethyl-5,7-dimethoxy-8-(1-methoxyethyl)-2H-1-benzopyran

2,2-Dimethyl-5,7-dimethoxy-8-(1-methoxyethyl)-2H-1-benzopyran

C16H22O4 (278.1518012)


   
   

6-O-methylemmotin-Z

6-O-methylemmotin-Z

C16H22O4 (278.1518012)


   

13-methoxy-11,13-dihydroambrosin

13-methoxy-11,13-dihydroambrosin

C16H22O4 (278.1518012)


   

(1S,4aS,8R,8aR)-4a,5,6,7,8,8a-hexahydro-8-hydroxy-5,5,8a-trimethylspiro[furan-2(5H),1(2H)-naphthalene]-35(4H)-dione|(1R,5S,9S,10R)-1beta-hydroxy-7-oxo-14-nor-13,14-secopodocarp-11-en-13,9a-olactone|cryptomelactone A

(1S,4aS,8R,8aR)-4a,5,6,7,8,8a-hexahydro-8-hydroxy-5,5,8a-trimethylspiro[furan-2(5H),1(2H)-naphthalene]-35(4H)-dione|(1R,5S,9S,10R)-1beta-hydroxy-7-oxo-14-nor-13,14-secopodocarp-11-en-13,9a-olactone|cryptomelactone A

C16H22O4 (278.1518012)


   

wutaiensol methyl ether

wutaiensol methyl ether

C16H22O4 (278.1518012)


   

2alpha-methoxy-6-oxogermacra-1(10),7(11)-dien-8,12-olide|5,6,7,8,11,11a-hexahydro-8-methoxy-3,6,10-trimethylcyclodeca[b]furan-2,4-dione

2alpha-methoxy-6-oxogermacra-1(10),7(11)-dien-8,12-olide|5,6,7,8,11,11a-hexahydro-8-methoxy-3,6,10-trimethylcyclodeca[b]furan-2,4-dione

C16H22O4 (278.1518012)


   

trans-7,8-epoxyisoeugenol-<3-methylvalerate>

trans-7,8-epoxyisoeugenol-<3-methylvalerate>

C16H22O4 (278.1518012)


   

(1S,4aS,6S,8aS)-4a,5,6,7,8,8a-hexahydro-6-hydroxy-5,5,8a-trimethylspiro[furan-2(5H),1(2H)-naphthalene]-35(4H)-dione|(3S,5S,9S,10S)-3beta-hydroxy-7-oxo-14-nor-13,14-secopodocarp-11-en-13,9a-olactone|cryptomelactone B

(1S,4aS,6S,8aS)-4a,5,6,7,8,8a-hexahydro-6-hydroxy-5,5,8a-trimethylspiro[furan-2(5H),1(2H)-naphthalene]-35(4H)-dione|(3S,5S,9S,10S)-3beta-hydroxy-7-oxo-14-nor-13,14-secopodocarp-11-en-13,9a-olactone|cryptomelactone B

C16H22O4 (278.1518012)


   
   

4-prenylphlorisovalerophenone

4-prenylphlorisovalerophenone

C16H22O4 (278.1518012)


   

ButylIsobutylPhthalate

1,2-Benzenedicarboxylic acid, 1-butyl 2-(2-methylpropyl) ester

C16H22O4 (278.1518012)


Butyl isobutyl phthalate is a natural product found in Houttuynia cordata, Cryptotaenia canadensis, and Perilla frutescens var. hirtella with data available. Butyl isobutyl phthalate is isolated from the rhizoid of Laminaria japonica. Butyl isobutyl phthalate is a non-competitive α-glucosidase inhibitor with an IC50 value of 38 μM. Butyl isobutyl phthalate shows a hypoglycemic effect and has the potential for diabetes treatment[1]. Butyl isobutyl phthalate is isolated from the rhizoid of Laminaria japonica. Butyl isobutyl phthalate is a non-competitive α-glucosidase inhibitor with an IC50 value of 38 μM. Butyl isobutyl phthalate shows a hypoglycemic effect and has the potential for diabetes treatment[1].

   

C16H22O4_(1R,2E,6S,10E,11aS,14aR)-1-Hydroxy-6-methyl-6,7,8,9,11a,12,14,14a-octahydro-4H-cyclopenta[f]oxacyclotridecine-4,13(1H)-dione

NCGC00386106-01_C16H22O4_(1R,2E,6S,10E,11aS,14aR)-1-Hydroxy-6-methyl-6,7,8,9,11a,12,14,14a-octahydro-4H-cyclopenta[f]oxacyclotridecine-4,13(1H)-dione

C16H22O4 (278.1518012)


   

C16H22O4

NCGC00381385-01_C16H22O4_

C16H22O4 (278.1518012)


   
   

Simon metabolite

alhpa-tocopheronolactone

C16H22O4 (278.1518012)


   

alpha-CEHC

6-Hydroxy-2-(2-carboxylethyl)-2,5,7,8-tetramethylchroman

C16H22O4 (278.1518012)


   

CEHC

5-[(2R)-6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-propanoic acid

C16H22O4 (278.1518012)


   

[4-(4-METHOXY-PHENYL)-2,2-DIMETHYL-TETRAHYDRO-PYRAN-4-YL]-ACETIC ACID

[4-(4-METHOXY-PHENYL)-2,2-DIMETHYL-TETRAHYDRO-PYRAN-4-YL]-ACETIC ACID

C16H22O4 (278.1518012)


   

2-(3-METHOXY-BENZYL)-3-OXO-HEXANOIC ACID ETHYL ESTER

2-(3-METHOXY-BENZYL)-3-OXO-HEXANOIC ACID ETHYL ESTER

C16H22O4 (278.1518012)


   

DIETHYL 2-ETHYL-2-(P-TOLYL)MALONATE

DIETHYL 2-ETHYL-2-(P-TOLYL)MALONATE

C16H22O4 (278.1518012)


   

1,3-Benzenedicarboxylicacid, 1,3-dibutyl ester

1,3-Benzenedicarboxylicacid, 1,3-dibutyl ester

C16H22O4 (278.1518012)


   

Dicyclopentenyloxyethyl-2-methacrylate (mixture of isomers, stabilised)

Dicyclopentenyloxyethyl-2-methacrylate (mixture of isomers, stabilised)

C16H22O4 (278.1518012)


   

Diethyl (1-phenylpropyl)malonate

Diethyl (1-phenylpropyl)malonate

C16H22O4 (278.1518012)


   

4-[4-(HEXYLOXY)PHENYL]-4-OXOBUTANOIC ACID

4-[4-(HEXYLOXY)PHENYL]-4-OXOBUTANOIC ACID

C16H22O4 (278.1518012)


   

Dibutyl terephthalate

Dibutyl terephthalate

C16H22O4 (278.1518012)


   

1,2-Benzenedicarboxylicacid, 1-(1-methylheptyl) ester

1,2-Benzenedicarboxylicacid, 1-(1-methylheptyl) ester

C16H22O4 (278.1518012)


   

2,5-Dibutoxy-benzene-1,4-dicarbaldehyde

2,5-Dibutoxy-benzene-1,4-dicarbaldehyde

C16H22O4 (278.1518012)


   

Diethyl [2-(2-methylphenyl)ethyl]malonate

Diethyl [2-(2-methylphenyl)ethyl]malonate

C16H22O4 (278.1518012)


   

3-Methyl-1-(2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl)butan-1-one

3-Methyl-1-(2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl)butan-1-one

C16H22O4 (278.1518012)


   

Mono(2-ethylhexyl) terephthalate

Mono(2-ethylhexyl) terephthalate

C16H22O4 (278.1518012)


   

(1S,2S,3E,7R,11E,13R)-2-Hydroxy-7-methyl 6-oxabicyclo[11.3.0]hexadecane-3,11-diene-5,15-dione

(1S,2S,3E,7R,11E,13R)-2-Hydroxy-7-methyl 6-oxabicyclo[11.3.0]hexadecane-3,11-diene-5,15-dione

C16H22O4 (278.1518012)


   

Hatcol DIBP

(C4-C13) Branched alkyl alcohols, phthalic anhydride ester

C16H22O4 (278.1518012)


   

Elaol

Benzene-o-dicarboxylic acid, di-n-butyl ester

C16H22O4 (278.1518012)


P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03B - Insecticides and repellents D010968 - Plasticizers

   

AI3-11048

4-09-00-03305 (Beilstein Handbook Reference)

C16H22O4 (278.1518012)


   

3-(2-Ethylhexyl)phthalic acid

3-(2-ethylhexyl)benzene-1,2-dicarboxylic acid

C16H22O4 (278.1518012)


   

(S)-1-Methylhexyl Caffeate

(S)-1-Methylhexyl Caffeate

C16H22O4 (278.1518012)


An alkyl caffeate ester obtained by the formal condensation of trans-caffeic acid with heptan-2-ol. It has been isolated from the leaves of Piper sanguineispicum.

   

4-Hydroxy-6-(2-oxoundec-10-en-1-yl)pyran-2-one

4-Hydroxy-6-(2-oxoundec-10-en-1-yl)pyran-2-one

C16H22O4 (278.1518012)


   

2-(4-Hydroxy-3-methylbut-2-en-1-yl)-4-(3-methylbut-2-en-1-yl)benzene-1,3,5-triol

2-(4-Hydroxy-3-methylbut-2-en-1-yl)-4-(3-methylbut-2-en-1-yl)benzene-1,3,5-triol

C16H22O4 (278.1518012)


   

2-[[3-Methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl]benzene-1,3,5-triol

2-[[3-Methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl]benzene-1,3,5-triol

C16H22O4 (278.1518012)


   

2-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienyl]benzene-1,3,5-triol

2-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienyl]benzene-1,3,5-triol

C16H22O4 (278.1518012)


   

6,6-Diethoxy-5-hydroxy-1-phenyl-1-hexen-3-one

6,6-Diethoxy-5-hydroxy-1-phenyl-1-hexen-3-one

C16H22O4 (278.1518012)


   

5-Acetoxy-1-(2,6-dimetoxyphenyl)-3-methyl-2-pentene

5-Acetoxy-1-(2,6-dimetoxyphenyl)-3-methyl-2-pentene

C16H22O4 (278.1518012)


   

2-(2-Acetoxyethyl)-3,4-dihydro2,5,7-trimethyl-2H-1-benzopyran-6-ol

2-(2-Acetoxyethyl)-3,4-dihydro2,5,7-trimethyl-2H-1-benzopyran-6-ol

C16H22O4 (278.1518012)


   

UNII:FU2EWB60RT

2-(((2-Ethylhexyl)oxy)carbonyl)benzoic acid

C16H22O4 (278.1518012)


Phthalic acid mono-2-ethylhexyl ester (MEHP) is a major bioactive metabolite of diethylhexyl phthalate (DEHP), which inhibits the 17, 20 lyase activity of CYP17[1]. Phthalic acid mono-2-ethylhexyl ester (MEHP) is a major bioactive metabolite of diethylhexyl phthalate (DEHP), which inhibits the 17, 20 lyase activity of CYP17[1].

   

DIISOBUTYL PHTHALATE

DIISOBUTYL PHTHALATE

C16H22O4 (278.1518012)


   

Monooctyl phthalate

Octyl hydrogen phthalate

C16H22O4 (278.1518012)


A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of octanol.

   

alhpa-tocopheronolactone

alhpa-tocopheronolactone

C16H22O4 (278.1518012)


   

Mono-(2-ethylhexyl) terephthalate

Mono-(2-ethylhexyl) terephthalate

C16H22O4 (278.1518012)