Exact Mass: 278.1518
Exact Mass Matches: 278.1518
Found 296 metabolites which its exact mass value is equals to given mass value 278.1518,
within given mass tolerance error 4.0E-5 dalton. Try search metabolite list with more accurate mass tolerance error
8.0E-6 dalton.
Dibutyl phthalate
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
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
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
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]
2,5,7,8-Tetramethyl-2-(2'-carboxyethyl)-6-hydroxychroman
2-[4-Methyl-2-(2-methylpropoxy)phenyl]-oxiranemethanol acetate
4alpha,5alpha-Epoxy-3-oxo-4(15)-dihydrocostic acid methyl ester
1,5-dihydroxy-1-isopropyl-6-methoxy-4,7-dimethyl-tetralin-2-one
5,5-dibutoxy-2,2-bifuran
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
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-[2,4-dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl]-2-methyl-1-propanone
(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
1,10-epoxy-8alpha-methoxyeremophilanolide|1beta,10beta-epoxy-8alpha-methoxyeremophil-1,7(11)-en-12,8beta-olide
2-Methyl-1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]butan-1-one
6alpha-methoxy-3-oxo-pinguis-5(10)-ene-11,6-olide|Me ester-6-Hydroxy-3-oxo-5(10)-pinguisen-11, 6-olide
1-(3,4-dihydro-5-hydroxy-7-methoxy-2,2-dimethyl-2 h -1-benzopyran-6-yl)-2-methyl-1-propanone
1-Acetoxy-2-isopropenyl-3-methylen-4-isobutyryloxy-cyclohexen-(5)
1beta-hydroxy-6(7),9(10)-dien-8-on-eremophila-12-acid methyl ester
(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
2,2-Dimethyl-5,7-dimethoxy-6-(1-methoxyethyl)-2H-1-benzopyran
1beta-hydroxy-8alpha-methoxyeremophil-7(11),9-dien-8beta,12-olide
(Sp)-1,11-Dioxa-[11]paracyclophan-13-carbonsaeure|(sp)-1,11-dioxa-[11]paracyclophane-13-carboxylic acid
1-(3,4-dihydro-5-hydroxy-7-methoxy-2,2-dimethyl-2 h -1-benzopyran-8-yl)-2-methyl-1-propanone
1-O-acetylbritannilactone|1-O-acetylbritannilatone
Isobutyric acid 2-(2-acetoxy-1-methylethyl)-5-methylphenyl ester
2,4,6-Trihydroxy-2-methylbutyrophenon-4-O-3,3-dimethylallylether
(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
5alpha-Hydroxy-2alpha-methoxy-1(10), 3-guaiadien-12, 6alpha-olide|5alpha-hydroxy-2alpha-methoxy-11alphaH-guaia-1(10),3-dien-12,6alpha-olide
14-methyl hydrogen 12-hydroxydrim-8-ene-11,14-diate 11,12-lactone|polygonumate
(E )-7-(2-hydroxy-4-(hydroxymethyl)phenyl)-2-methyloct-6-enoic acid
(+)-7-dehydro-BFA|13-oxobrefeldin|7-dehydrobrefeldin A|7-Ketobrefeldin|7-oxo-brefeldin-A|7-oxobrefeldin A|TX-1852
(2R)-1-[2,6-dimethoxy-4-(prop-2-enyl)phenoxy]-3-methylbut-3-en-2-ol|lenisin B
3-Methyl-2-butenoic acid 2-(1-methyl-1-methoxy-2-hydroxyethyl)-5-methylphenyl ester
6-Oxo-8alpha-methoxyepieremophilenolid|6-oxoeremophilenolide|8alpha-methoxy-6-oxoeremophil-7(11)-en-12,8-olide
(4aR,6S,8aR,9aS)-6-hydroxyfurodysinin-O-methyl lactone
2,2-Dimethyl-5,7-dimethoxy-8-(1-methoxyethyl)-2H-1-benzopyran
(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
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
(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
ButylIsobutylPhthalate
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
[4-(4-METHOXY-PHENYL)-2,2-DIMETHYL-TETRAHYDRO-PYRAN-4-YL]-ACETIC ACID
2-(3-METHOXY-BENZYL)-3-OXO-HEXANOIC ACID ETHYL ESTER
Dicyclopentenyloxyethyl-2-methacrylate (mixture of isomers, stabilised)
1,2-Benzenedicarboxylicacid, 1-(1-methylheptyl) ester
3-Methyl-1-(2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl)butan-1-one
(1S,2S,3E,7R,11E,13R)-2-Hydroxy-7-methyl 6-oxabicyclo[11.3.0]hexadecane-3,11-diene-5,15-dione
(S)-1-Methylhexyl Caffeate
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.
2-(4-Hydroxy-3-methylbut-2-en-1-yl)-4-(3-methylbut-2-en-1-yl)benzene-1,3,5-triol
2-[[3-Methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl]benzene-1,3,5-triol
2-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienyl]benzene-1,3,5-triol
5-Acetoxy-1-(2,6-dimetoxyphenyl)-3-methyl-2-pentene
2-(2-Acetoxyethyl)-3,4-dihydro2,5,7-trimethyl-2H-1-benzopyran-6-ol
UNII:FU2EWB60RT
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].
Monooctyl phthalate
A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of octanol.
4-hydroxy-5-(hydroxymethyl)-6-methyl-3-[(2r)-6-methylhept-5-en-2-yl]cyclohexa-3,5-diene-1,2-dione
2-[(2s)-7-methoxy-5-[(1e)-3-methoxyprop-1-en-1-yl]-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol
(1r,3s,5s,6r,7s,10s)-5-hydroxy-3,7,10,12-tetramethyl-2,9-dioxatetracyclo[9.3.0.0¹,³.0⁶,¹⁰]tetradec-11-en-8-one
2-{2-[(3z)-6-(1-hydroxypropan-2-yl)oxan-3-ylidene]ethyl}benzene-1,4-diol
(1r,4r)-1,5-dihydroxy-1-isopropyl-6-methoxy-4,7-dimethyl-3,4-dihydronaphthalen-2-one
(1r,3r,9r,10r,11r,13s)-6-ethyl-11-hydroxy-9,10-dimethyl-4,14-dioxatetracyclo[7.5.0.0¹,¹³.0³,⁷]tetradec-6-en-5-one
(1r,3r,9r,10s,13s)-3-methoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.0¹,¹³.0³,⁷]tetradec-6-en-5-one
1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-methylpropan-1-one
(3s,5s,7r,8s)-3-methoxy-3,7,8,10-tetramethyl-2,6-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),9,11-trien-11-ol
methyl (4s)-4-[(3ar,7ar)-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl]pentanoate
1-(5,7-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl)-2-methylbutan-1-one
[(2s)-2-[4-methyl-2-(2-methylpropoxy)phenyl]oxiran-2-yl]methyl acetate
9,10-dihydroxy-4a,8,10b-trimethyl-2h,3h,8h,9h,10h,10ah-naphtho[2,1-b]pyran-1-one
(4s,4ar,5s,9ar)-4-hydroxy-9a-methoxy-3,4a,5-trimethyl-4h,5h,6h,7h,9h-naphtho[2,3-b]furan-2-one
2-hydroxy-5-(hydroxymethyl)-6-methyl-3-[(2r)-6-methylhept-5-en-2-yl]cyclohexa-2,5-diene-1,4-dione
(3s,5r,7r,8s)-3-methoxy-3,7,8,10-tetramethyl-2,6-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),9,11-trien-11-ol
methyl 3,4-dihydroxy-5-[(1s)-1,2,2-trimethylcyclopentyl]benzoate
4-hydroxy-9a-methoxy-3,4a,5-trimethyl-4h,5h,6h,7h,9h-naphtho[2,3-b]furan-2-one
(4s,4ar,5r,6s,8ar)-6-hydroxy-4-methoxy-3,4a,5-trimethyl-4h,5h,6h,7h,8h,8ah-naphtho[2,3-b]furan-9-one
(2r)-2-methyl-1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]butan-1-one
(4as,8s,10s,10as,10br)-10-hydroxy-8-(hydroxymethyl)-4a,10b-dimethyl-2h,3h,8h,9h,10h,10ah-naphtho[2,1-b]pyran-1-one
(1s)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-en-1-yl acetate
1-{2,6-dihydroxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-2-methylbutan-1-one
(2s,3r)-2-hydroxy-3-(2-hydroxypropan-2-yl)-8-(methoxymethyl)-5-methyl-3,4-dihydro-2h-naphthalen-1-one
2-[(2r,4r)-4-methyloxolan-2-yl]-5-[(2s,4r)-4-methyloxolan-2-yl]benzene-1,4-diol
(2r)-1-(5,7-dihydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-8-yl)-2-methylbutan-1-one
3-methoxy-3,7,8,10-tetramethyl-2,6-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),9,11-trien-11-ol
(1s,2r,9r,10r)-10-hydroxy-2-methoxy-9,10-dimethyl-11-methylidene-3-oxatricyclo[7.3.1.0²,⁶]tridec-5-en-4-one
7,10a-dimethyl-2-oxo-1h,4h,4ah,6ah,8h,9h,10h,10bh-naphtho[2,1-c]pyran-7-carboxylic acid
8-methoxy-3,6,10-trimethyl-5h,6h,7h,8h,11h,11ah-cyclodeca[b]furan-2,4-dione
1-heptyl-6,8-dihydroxy-1,4-dihydro-2-benzopyran-3-one
1,2-benzenedicacboxylic acid, bis(2-methylpropyl)ester
{"Ingredient_id": "HBIN000719","Ingredient_name": "1,2-benzenedicacboxylic acid, bis(2-methylpropyl)ester","Alias": "NA","Ingredient_formula": "C16H22O4","Ingredient_Smile": "CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41210","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,2-benzenedicarboxylic acid,butyi-2-methylpropyl ester
{"Ingredient_id": "HBIN000725","Ingredient_name": "1,2-benzenedicarboxylic acid,butyi-2-methylpropyl ester","Alias": "NA","Ingredient_formula": "C16H22O4","Ingredient_Smile": "CCCCOC(=O)C1=CC=CC=C1C(=O)OCC(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42921","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1β,10β-epoxy-8α-methoxyeremophil-7(11)-en-12,8β-olide
{"Ingredient_id": "HBIN002335","Ingredient_name": "1\u03b2,10\u03b2-epoxy-8\u03b1-methoxyeremophil-7(11)-en-12,8\u03b2-olide","Alias": "NA","Ingredient_formula": "C16H22O4","Ingredient_Smile": "CC1CCC(C2=CC3(C(=C(C(=O)O3)C)CC12C)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7163","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-(2-hydroxy-3-methylbutyl)-3,5,6-trimethyl-1,4-benzoquinone; ac
{"Ingredient_id": "HBIN003734","Ingredient_name": "2-(2-hydroxy-3-methylbutyl)-3,5,6-trimethyl-1,4-benzoquinone; ac","Alias": "NA","Ingredient_formula": "C16H22O4","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9078","PubChem_id": "NA","DrugBank_id": "NA"}
(3Z,6S,7R)-3-butylidene-6-butyryl-7-hydroxy-4,5,6,7-tetrahydroisobenzofuran-1-one
{"Ingredient_id": "HBIN009766","Ingredient_name": "(3Z,6S,7R)-3-butylidene-6-butyryl-7-hydroxy-4,5,6,7-tetrahydroisobenzofuran-1-one","Alias": "(3Z,6S,7R)-6-butanoyl-3-butylidene-7-hydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one; (3Z,6S,7R)-3-butylidene-7-hydroxy-6-(1-oxobutyl)-4,5,6,7-tetrahydroisobenzofuran-1-one; (3Z,6S,7R)-6-butanoyl-3-butylidene-7-hydroxy-4,5,6,7-tetrahydroisobenzofuran-1-one","Ingredient_formula": "C16H22O4","Ingredient_Smile": "NA","Ingredient_weight": "278.34","OB_score": "3.414829307","CAS_id": "114569-34-5","SymMap_id": "SMIT04404","TCMID_id": "NA","TCMSP_id": "MOL002100","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9'-(3,4-methylenedioxy-phenyl)-nonanoicacid
{"Ingredient_id": "HBIN014020","Ingredient_name": "9'-(3,4-methylenedioxy-phenyl)-nonanoicacid","Alias": "NA","Ingredient_formula": "C16H22O4","Ingredient_Smile": "C1OC2=C(O1)C=C(C=C2)CCCCCCCCC(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14374","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
