Exact Mass: 222.0939

Exact Mass Matches: 222.0939

Found 500 metabolites which its exact mass value is equals to given mass value 222.0939, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Diethyl phthalic acid

1,2-Benzenedicarboxylic acid diethyl ester

C12H14O4 (222.0892)

Diethyl phthalic acid, also known as diethyl phthalate, 1,2-diethyl phthalic acid or 1,2-benzenedicarboxylic acid diethyl ester, is classified as a member of the benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid. Diethyl phthalic acid is considered to be practically insoluble (in water) and basic. This substance is commonly used to make plastics more flexible. Products in which it is found include toothbrushes, automobile parts, tools, toys, and food packaging. Diethyl phthalic acid can be released fairly easily from these products, as it is not part of the chain of chemicals (polymers) that makes up the plastic. Diethyl phthalic acid is also used in cosmetics, insecticides, and aspirin. Phthalate esters can cause reproductive and developmental toxicity. (L1900, A2883) It is a non-carcinogenic (not listed by IARC) potentially toxic compound. (ChemoSummarizer) CONFIDENCE standard compound; EAWAG_UCHEM_ID 3672 Same as: D03804

Diglycidyl resorcinol ether

C12H14O4 (222.0892)

Apiole

4,7-dimethoxy-5-(prop-2-en-1-yl)-2H-1,3-benzodioxole

C12H14O4 (222.0892)

Apiole is found in dill. Apiole occurs in Sassafras albidum (sassafras) and Anethum graveolens (dill) Apiol is an organic chemical compound, also known as parsley apiol, apiole or parsley camphor. It is found in celery, parsley seeds, and the essential oil of parsley. Heinrich Christoph Link, an apothecary in Leipzig, discovered the substance in 1715 as greenish crystals reduced by steam from oil of parsley. In 1855 Joret and Homolle discovered that apiol was an effective treatment of amenorrea or lack of menstruation. In medicine it has been used, as essential oil or in purified form, for the treatment of menstrual disorders. It is an irritant and in high doses it is toxic and can cause liver and kidney damage. Occurs in Sassafras albidum (sassafras) and Anethum graveolens (dill)

Dillapiol

1,3-Benzodioxole, 4,5-dimethoxy-6-(2-propenyl)- (9ci)

C12H14O4 (222.0892)

Dillapiol is found in coriander. Dillapiol is a constituent of Japanese, Indian (Anethum sowa) and European (Anethum graveolens) dill oils and Piper species Also from seeds of Bunium persicum (black caraway) Dillapiole is an organic chemical compound and essential oil commonly extracted from dill weed, though can be found in a variety of other plants Constituent of Japanese, Indian (Anethum sowa) and European (Anethum graveolens) dill oils and Piper subspecies Also from seeds of Bunium persicum (black caraway)

6-Amylmercaptopurine

C10H14N4S (222.0939)

coniferyl acetate

C12H14O4 (222.0892)

An acetate ester obtained via formal condensation of the allylic hydroxy function of coniferol with acetic acid.

DL-Glutamic acid gamma-anilide

C11H14N2O3 (222.1004)

Monobutylphthalate

Monobutyl phthalate, manganese (2+) salt

C12H14O4 (222.0892)

Monobutyl phtalate is a metabolite of di(n-butyl)phthalate.Women of reproductive age (20-40 years) were found to have significantly higher. Isolated from maize kernels (Zea mays). MBP 1 is found in cereals and cereal products. Monobutyl phthalate, a major metabolite of dibutyl phthalate (DBP), possesses antiandrogenic effects. Monobutyl phthalate is an embryotoxicant[1][2]. Monobutyl phthalate, a major metabolite of dibutyl phthalate (DBP), possesses antiandrogenic effects. Monobutyl phthalate is an embryotoxicant[1][2].

Monoisobutyl phthalic acid

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

C12H14O4 (222.0892)

Monoisobutyl phthalic acid is a phthalate metabolite that has been found in human meconium and in semen (PMID: 16970347), saliva (PMID: 15995852), and urine (PMID: 15113553). Phthalate esters are a family of multifunctional compounds widely used as plasticizers, solvents, or additives in many diverse products such as poly(vinyl chloride) (PVC) materials, pharmaceuticals and medical devices, pesticides, lubricants, and personal care products. Humans have been exposed to phthalates through the manufacture, ubiquitous use, and disposal of PVC materials and other phthalate-containing products. (PMID: 16970347). Monoisobutyl phthalic acid is a phthalate metabolite that has been found in human meconium and in semen (PMID: 16970347), saliva (PMID: 15995852), and urine (PMID: 15113553).

Glycylphenylalanine

2-[(2-amino-1-hydroxyethylidene)amino]-3-phenylpropanoic acid

C11H14N2O3 (222.1004)

Glycyl-Phenylalanine is a dipeptide composed of glycine and phenylalanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.

Dihydrodeoxy-8-epiaustdiol

7,8-dihydroxy-3,5,7-trimethyl-7,8-dihydro-6H-isochromen-6-one

C12H14O4 (222.0892)

Dihydrodeoxy-8-epiaustdiol is a mycotoxin produced by the food storage mould (Aspergillus ustus

(Z)-3-(2,4,5-Trimethoxyphenyl)-2-propenal

(2Z)-3-(2,4,5-trimethoxyphenyl)prop-2-enal

C12H14O4 (222.0892)

(Z)-3-(2,4,5-Trimethoxyphenyl)-2-propenal is found in herbs and spices. (Z)-3-(2,4,5-Trimethoxyphenyl)-2-propenal is isolated from the rhizomes of Acorus calamus (sweet flag). Isolated from the rhizomes of Acorus calamus (sweet flag). (Z)-3-(2,4,5-Trimethoxyphenyl)-2-propenal is found in herbs and spices and root vegetables.

Isodillapiole

4,5-dimethoxy-6-[(1E)-prop-1-en-1-yl]-2H-1,3-benzodioxole

C12H14O4 (222.0892)

Present in Crithmum maritimum (rock samphire). Isodillapiole is found in dill and green vegetables. Isodillapiole is found in dill. Isodillapiole is present in Crithmum maritimum (rock samphire

5-(3,4-Methylenedioxyphenyl)pentanoic acid

C12H14O4 (222.0892)

5-(3,4-Methylenedioxyphenyl)pentanoic acid is found in herbs and spices. 5-(3,4-Methylenedioxyphenyl)pentanoic acid is isolated from fruits of Piper longum (long pepper). Isolated from fruits of Piper longum (long pepper). 5-(3,4-Methylenedioxyphenyl)pentanoic acid is found in herbs and spices.

CHEBI:64921

C12H14O4 (222.0892)

4-(4-hydroxy-3,5-dimethoxyphenyl)-3-buten-2-one

C12H14O4 (222.0892)

Phenylalanylglycine

2-[(2S)-2-amino-3-phenylpropanamido]acetic acid

C11H14N2O3 (222.1004)

Phenylalanylglycine is a dipeptide composed of phenylalanine and glycine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

5'-(3'-Methoxy-4'-hydroxyphenyl)-gamma-valerolactone

5-(3-Methoxy-4-hydroxyphenyl)-gamma-valerolactone

C12H14O4 (222.0892)

5-(3-methoxy-4-hydroxyphenyl)-gamma-valerolactone is a cocoa metabolite from gut microflora. It is found in urine. A polyphenol metabolite detected in biological fluids [PhenolExplorer]

Piperonyl isobutyrate

Propanoic acid, 2-methyl-, 1,3-benzodioxol-5-ylmethyl ester

C12H14O4 (222.0892)

Piperonyl isobutyrate is a flavouring ingredient, not reported in nature. Flavouring ingredient, not reported in nature

Vanillin isobutyrate

4-Formyl-2-methoxyphenyl 2-methylpropanoic acid

C12H14O4 (222.0892)

Vanillin isobutyrate is a flavouring ingredient. Flavouring ingredient

2,3-Dihydro-3-hydroxy-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one

C12H14O4 (222.0892)

2,3-Dihydro-3-hydroxy-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one is found in mushrooms. 2,3-Dihydro-3-hydroxy-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one is isolated from the mushroom Lentinus crinitus (palatability uncertain). Isolated from the mushroom Lentinus crinitus (palatability uncertain). 2,3-Dihydro-3-hydroxy-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one is found in mushrooms.

3-Butylphthalic acid

3-butylbenzene-1,2-dicarboxylic acid

C12H14O4 (222.0892)

Carboxy-ethyl-hydroxychroman

2-ethyl-2-hydroxy-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid

C12H14O4 (222.0892)

Carboxyethyl-hydroxychroman

3-(2-hydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)propanoic acid

C12H14O4 (222.0892)

9-(1,3-Dioxolan-2-yl)purine-2,6-diamine

9-(1,3-dioxolan-2-yl)-9H-purine-2,6-diamine

C8H10N6O2 (222.0865)

alpha-Carboxyethyl hydroxychroman

2-(2-hydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)propanoic acid

C12H14O4 (222.0892)

Diethylbenzenedicarboxylic acid

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

C12H14O4 (222.0892)

coniferyl acetate

3-(4-Hydroxy-3-methoxyphenyl)prop-2-en-1-yl acetic acid

C12H14O4 (222.0892)

Coniferyl acetate is also known as coniferyl acetic acid. Coniferyl acetate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Coniferyl acetate can be found in a number of food items such as endive, enokitake, black huckleberry, and devilfish, which makes coniferyl acetate a potential biomarker for the consumption of these food products.

Phenylalanyl-Glycine

2-[(2-amino-1-hydroxy-3-phenylpropylidene)amino]acetic acid

C11H14N2O3 (222.1004)

5B8915UELW

ethyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate;Ferulic acid ethyl ester

C12H14O4 (222.0892)

Ethyl ferulate is a natural product found in Tocoyena formosa, Coptis japonica, and other organisms with data available. C26170 - Protective Agent > C275 - Antioxidant Ethyl ferulate, a naturally lipophilic derivative of ferulic acid originally derived from Rhizoma Chuanxiong, induces heme oxygenase-1 (HO-1) and protects rat neurons against oxidative stress[1]. Ethyl ferulate also protects neurons against amyloid β peptide (1-42)-induced oxidative stress and neurotoxicity[2]. Ethyl ferulate, a naturally lipophilic derivative of ferulic acid originally derived from Rhizoma Chuanxiong, induces heme oxygenase-1 (HO-1) and protects rat neurons against oxidative stress[1]. Ethyl ferulate also protects neurons against amyloid β peptide (1-42)-induced oxidative stress and neurotoxicity[2].

Ethyl

ethyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate;Ferulic acid ethyl ester

C12H14O4 (222.0892)

Sordarial

C12H14O4 (222.0892)

Methyl-4-(butyryloxy)benzoate

C12H14O4 (222.0892)

Ethyl ferulate

ethyl 3-(4-hydroxy-3-methoxyphenyl)acrylate

C12H14O4 (222.0892)

Ethyl ferulate, a naturally lipophilic derivative of ferulic acid originally derived from Rhizoma Chuanxiong, induces heme oxygenase-1 (HO-1) and protects rat neurons against oxidative stress[1]. Ethyl ferulate also protects neurons against amyloid β peptide (1-42)-induced oxidative stress and neurotoxicity[2]. Ethyl ferulate, a naturally lipophilic derivative of ferulic acid originally derived from Rhizoma Chuanxiong, induces heme oxygenase-1 (HO-1) and protects rat neurons against oxidative stress[1]. Ethyl ferulate also protects neurons against amyloid β peptide (1-42)-induced oxidative stress and neurotoxicity[2].

3,4-Dimethoxycinnamic acid methyl ester

C12H14O4 (222.0892)

3,5-Dimethyl-8-hydroxy-7-methoxy-3,4-dihydroisocoumarin

1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-7-methoxy-3,5-dimethyl- (9CI)

C12H14O4 (222.0892)

3-(4-ethoxybenzoyl)propionic acid

4-(4-ethoxyphenyl)-4-oxobutanoic acid

C12H14O4 (222.0892)

(4E)-4-<(4-hydroxy-3-methyl-2-butenyl)oxy>benzoic acid|(4E)-4-[(4-hydroxy-3-methyl-2-butenyl)oxy]benzoic acid

C12H14O4 (222.0892)

2-(hydroxymethyl)-5-methoxy-2-methylchromen-6-ol

C12H14O4 (222.0892)

4,5-dimethoxy-2,3-methylenedioxy-1-propenylbenzene

C12H14O4 (222.0892)

SCHEMBL1234975

C12H14O4 (222.0892)

SCHEMBL11802192

C12H14O4 (222.0892)

(E)-4-methoxy-3-methyl-6-(4-oxopent-2-en-2-yl)-2H-pyran-2-one|phomapyrone D

C12H14O4 (222.0892)

5,7-dihydroxy-2,2,6-trimethylchroman-4-one|pallidol

C12H14O4 (222.0892)

8-ethyl-5,7-dihydroxy-2-methyl-4-chromanone

C12H14O4 (222.0892)

3-Deoxy-4-epiradicinol|3-epideoxyradicinol

C12H14O4 (222.0892)

4-Methoxy-6-(1-methoxy-2-propenyl)-1,3-benzodioxole

C12H14O4 (222.0892)

5-hydroxy-3-[(3R)-hydroxybutyl]-isobenzofuran-1(3H)-one

C12H14O4 (222.0892)

3-Hydroxy-2-(isobutyrylamino)benzamide

C11H14N2O3 (222.1004)

phomochromone B

C12H14O4 (222.0892)

trans-methyl ferulate

C12H14O4 (222.0892)

(R)-3-hydroxy-1-[(R)-4-hydroxy-1,3-dihydroxyisobenzofuran-1-yl]butan-2-one

C12H14O4 (222.0892)

3-(3,4-dihydroxyphenyl)-4-hydroxycyclohexanone

C12H14O4 (222.0892)

cis-2-methoxy-4,5-methylenedioxycinnamyl alcohol methyl ether|melicodin B

C12H14O4 (222.0892)

methyl 3-(3,4-dimethoxyphenyl)prop-2-enoate

C12H14O4 (222.0892)

PROPYL 3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOATE

C12H14O4 (222.0892)

aconicaramide|N-(L-prolyl)-5-hydroxymethyl-1H-pyrrole-2-carbaldehyde

C11H14N2O3 (222.1004)

3-hydroxy-1-(2-methoxyphenyl)penta-1,4-dione

C12H14O4 (222.0892)

1-Alcohol-3-(3,4-Dihydroxy-3-methyl-1-butynyl)-4-hydroxybenzoic acid|4-hydroxy-3-(3,4-dihydroxy-3-methylbut-1-ynyl)benzyl alcohol

C12H14O4 (222.0892)

3-Methoxy-2-methyl-3-oxopropyl benzoate

C12H14O4 (222.0892)

C11H14N2O3

C11H14N2O3 (222.1004)

ethyl 3-(4-methoxyphenyl)-3-oxopropanoate

C12H14O4 (222.0892)

C12H14O4

C12H14O4 (222.0892)

ethyl (acetyloxy)(phenyl)acetate

C12H14O4 (222.0892)

SCHEMBL9588937

C12H14O4 (222.0892)

3,4-dihydro-4,8-dihydroxy-6-methoxy-7-methyl-1(2H)-naphthalenone

C12H14O4 (222.0892)

1,3-Benzodioxole, 4,5-dimethoxy-7-(2-propenyl)-

C12H14O4 (222.0892)

D-4-Acetamidophe

C11H14N2O3 (222.1004)

Descarboxydihydrocitrinone

C12H14O4 (222.0892)

6-methoxy-2-(1,2-dihydroxy-2-propyl)benzofuran|6-methoxy-2-<1,2-dihydroxy-2-propyl>benzofuran

C12H14O4 (222.0892)

3,4-Dihydro-8-hydroxy-5-(2-hydroxyethyl)-3-methyl-1H-2-benzopyran-1-one

C12H14O4 (222.0892)

Benzoic acid, 2-(acetyloxy)-, propyl ester

C12H14O4 (222.0892)

SCHEMBL3158637

C11H14N2O3 (222.1004)

2,3-Dihydro-5,7-dimethoxy-2-methyl-4H-1-benzopyran-4-one

C12H14O4 (222.0892)

ethyl isoferulate

C12H14O4 (222.0892)

Valeryl Salicylate

C12H14O4 (222.0892)

H-Gly-Phe-OH

Glycyl-L-phenylalanine

C11H14N2O3 (222.1004)

mono-Iso-butyl phthalate

C12H14O4 (222.0892)

CONFIDENCE standard compound; INTERNAL_ID 4206

(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enal

NCGC00178406-02!(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enal

C12H14O4 (222.0892)

Monoisobutyl phthalate

Isobutyl Hydrogen Phthalate

C12H14O4 (222.0892)

A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of isobutanol. CONFIDENCE standard compound; INTERNAL_ID 8233

DIETHYL PHTHALATE

Diethyl 1,2-benzenedicarboxylate

C12H14O4 (222.0892)

Same as: D03804 CONFIDENCE standard compound; INTERNAL_ID 1014; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4163; ORIGINAL_PRECURSOR_SCAN_NO 4159 CONFIDENCE standard compound; INTERNAL_ID 1014; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4172; ORIGINAL_PRECURSOR_SCAN_NO 4171 CONFIDENCE standard compound; INTERNAL_ID 1014; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4139; ORIGINAL_PRECURSOR_SCAN_NO 4136 CONFIDENCE standard compound; INTERNAL_ID 1014; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4166; ORIGINAL_PRECURSOR_SCAN_NO 4161 CONFIDENCE standard compound; INTERNAL_ID 1014; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3826; ORIGINAL_PRECURSOR_SCAN_NO 3822 CONFIDENCE standard compound; INTERNAL_ID 1014; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4186; ORIGINAL_PRECURSOR_SCAN_NO 4185 CONFIDENCE standard compound; INTERNAL_ID 1014; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8711; ORIGINAL_PRECURSOR_SCAN_NO 8708 CONFIDENCE standard compound; INTERNAL_ID 1014; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8697; ORIGINAL_PRECURSOR_SCAN_NO 8692 CONFIDENCE standard compound; INTERNAL_ID 1014; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8731; ORIGINAL_PRECURSOR_SCAN_NO 8728 CONFIDENCE standard compound; INTERNAL_ID 1014; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8759; ORIGINAL_PRECURSOR_SCAN_NO 8755 CONFIDENCE standard compound; INTERNAL_ID 1014; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8651; ORIGINAL_PRECURSOR_SCAN_NO 8648 CONFIDENCE standard compound; INTERNAL_ID 1014; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8671; ORIGINAL_PRECURSOR_SCAN_NO 8667 CONFIDENCE standard compound; INTERNAL_ID 8353

C12H14O4_(7R,8R)-7,8-Dihydroxy-3,5,7-trimethyl-7,8-dihydro-6H-isochromen-6-one

NCGC00380309-01_C12H14O4_(7R,8R)-7,8-Dihydroxy-3,5,7-trimethyl-7,8-dihydro-6H-isochromen-6-one

C12H14O4 (222.0892)

(7R,8R)-7,8-dihydroxy-3,5,7-trimethyl-8H-isochromen-6-one

C12H14O4 (222.0892)

3,4,5-trimethoxycinnamic aldehyde

C12H14O4 (222.0892)

Diethylphthalate

DIETHYL PHTHALATE

C12H14O4 (222.0892)

CONFIDENCE standard compound; INTERNAL_ID 200

2-Hydroxy-3-phenoxypropyl acrylate

2-Hydroxy-3-phenoxypropyl prop-2-enoate

C12H14O4 (222.0892)

CONFIDENCE standard compound; INTERNAL_ID 817; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4163; ORIGINAL_PRECURSOR_SCAN_NO 4159 CONFIDENCE standard compound; INTERNAL_ID 817; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4172; ORIGINAL_PRECURSOR_SCAN_NO 4171 CONFIDENCE standard compound; INTERNAL_ID 817; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4139; ORIGINAL_PRECURSOR_SCAN_NO 4136 CONFIDENCE standard compound; INTERNAL_ID 817; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4166; ORIGINAL_PRECURSOR_SCAN_NO 4161 CONFIDENCE standard compound; INTERNAL_ID 817; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4200; ORIGINAL_PRECURSOR_SCAN_NO 4198 CONFIDENCE standard compound; INTERNAL_ID 817; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4186; ORIGINAL_PRECURSOR_SCAN_NO 4185 CONFIDENCE standard compound; INTERNAL_ID 817; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8711; ORIGINAL_PRECURSOR_SCAN_NO 8708 CONFIDENCE standard compound; INTERNAL_ID 817; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8697; ORIGINAL_PRECURSOR_SCAN_NO 8692 CONFIDENCE standard compound; INTERNAL_ID 817; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8731; ORIGINAL_PRECURSOR_SCAN_NO 8728 CONFIDENCE standard compound; INTERNAL_ID 817; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8759; ORIGINAL_PRECURSOR_SCAN_NO 8755 CONFIDENCE standard compound; INTERNAL_ID 817; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8795; ORIGINAL_PRECURSOR_SCAN_NO 8790 CONFIDENCE standard compound; INTERNAL_ID 817; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8761; ORIGINAL_PRECURSOR_SCAN_NO 8756

tert-butyl hydrogen phthalate

C12H14O4 (222.0892)

CONFIDENCE standard compound; INTERNAL_ID 818; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4163; ORIGINAL_PRECURSOR_SCAN_NO 4159 CONFIDENCE standard compound; INTERNAL_ID 818; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4172; ORIGINAL_PRECURSOR_SCAN_NO 4171 CONFIDENCE standard compound; INTERNAL_ID 818; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4139; ORIGINAL_PRECURSOR_SCAN_NO 4136 CONFIDENCE standard compound; INTERNAL_ID 818; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4166; ORIGINAL_PRECURSOR_SCAN_NO 4161 CONFIDENCE standard compound; INTERNAL_ID 818; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3826; ORIGINAL_PRECURSOR_SCAN_NO 3822 CONFIDENCE standard compound; INTERNAL_ID 818; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4186; ORIGINAL_PRECURSOR_SCAN_NO 4185 CONFIDENCE standard compound; INTERNAL_ID 818; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8711; ORIGINAL_PRECURSOR_SCAN_NO 8708 CONFIDENCE standard compound; INTERNAL_ID 818; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8697; ORIGINAL_PRECURSOR_SCAN_NO 8692 CONFIDENCE standard compound; INTERNAL_ID 818; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8731; ORIGINAL_PRECURSOR_SCAN_NO 8728 CONFIDENCE standard compound; INTERNAL_ID 818; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8759; ORIGINAL_PRECURSOR_SCAN_NO 8755 CONFIDENCE standard compound; INTERNAL_ID 818; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8795; ORIGINAL_PRECURSOR_SCAN_NO 8790 CONFIDENCE standard compound; INTERNAL_ID 818; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8761; ORIGINAL_PRECURSOR_SCAN_NO 8756

Vanillin isobutyrate

4-Formyl-2-methoxyphenyl 2-methylpropanoate

C12H14O4 (222.0892)

CONFIDENCE standard compound; INTERNAL_ID 950; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4163; ORIGINAL_PRECURSOR_SCAN_NO 4159 CONFIDENCE standard compound; INTERNAL_ID 950; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4172; ORIGINAL_PRECURSOR_SCAN_NO 4171 CONFIDENCE standard compound; INTERNAL_ID 950; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4139; ORIGINAL_PRECURSOR_SCAN_NO 4136 CONFIDENCE standard compound; INTERNAL_ID 950; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4166; ORIGINAL_PRECURSOR_SCAN_NO 4161 CONFIDENCE standard compound; INTERNAL_ID 950; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4200; ORIGINAL_PRECURSOR_SCAN_NO 4198 CONFIDENCE standard compound; INTERNAL_ID 950; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4186; ORIGINAL_PRECURSOR_SCAN_NO 4185 CONFIDENCE standard compound; INTERNAL_ID 950; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8711; ORIGINAL_PRECURSOR_SCAN_NO 8708 CONFIDENCE standard compound; INTERNAL_ID 950; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8697; ORIGINAL_PRECURSOR_SCAN_NO 8692 CONFIDENCE standard compound; INTERNAL_ID 950; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8731; ORIGINAL_PRECURSOR_SCAN_NO 8728 CONFIDENCE standard compound; INTERNAL_ID 950; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8759; ORIGINAL_PRECURSOR_SCAN_NO 8755 CONFIDENCE standard compound; INTERNAL_ID 950; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8795; ORIGINAL_PRECURSOR_SCAN_NO 8790 CONFIDENCE standard compound; INTERNAL_ID 950; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8761; ORIGINAL_PRECURSOR_SCAN_NO 8756

MONOBUTYL PHTHALATE

C12H14O4 (222.0892)

CONFIDENCE standard compound; INTERNAL_ID 1113; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4163; ORIGINAL_PRECURSOR_SCAN_NO 4159 CONFIDENCE standard compound; INTERNAL_ID 1113; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4172; ORIGINAL_PRECURSOR_SCAN_NO 4171 CONFIDENCE standard compound; INTERNAL_ID 1113; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4139; ORIGINAL_PRECURSOR_SCAN_NO 4136 CONFIDENCE standard compound; INTERNAL_ID 1113; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4166; ORIGINAL_PRECURSOR_SCAN_NO 4161 CONFIDENCE standard compound; INTERNAL_ID 1113; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4200; ORIGINAL_PRECURSOR_SCAN_NO 4198 CONFIDENCE standard compound; INTERNAL_ID 1113; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4186; ORIGINAL_PRECURSOR_SCAN_NO 4185 CONFIDENCE standard compound; INTERNAL_ID 1113; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8711; ORIGINAL_PRECURSOR_SCAN_NO 8708 CONFIDENCE standard compound; INTERNAL_ID 1113; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8697; ORIGINAL_PRECURSOR_SCAN_NO 8692 CONFIDENCE standard compound; INTERNAL_ID 1113; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8731; ORIGINAL_PRECURSOR_SCAN_NO 8728 CONFIDENCE standard compound; INTERNAL_ID 1113; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8759; ORIGINAL_PRECURSOR_SCAN_NO 8755 CONFIDENCE standard compound; INTERNAL_ID 1113; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8795; ORIGINAL_PRECURSOR_SCAN_NO 8790 CONFIDENCE standard compound; INTERNAL_ID 1113; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8761; ORIGINAL_PRECURSOR_SCAN_NO 8756 Monobutyl phthalate, a major metabolite of dibutyl phthalate (DBP), possesses antiandrogenic effects. Monobutyl phthalate is an embryotoxicant[1][2]. Monobutyl phthalate, a major metabolite of dibutyl phthalate (DBP), possesses antiandrogenic effects. Monobutyl phthalate is an embryotoxicant[1][2].

Apiole_major

C12H14O4 (222.0892)

3,4,5-trimethoxycinnamic aldehyde_major

C12H14O4 (222.0892)

Apiole

Apiole (parsley)

C12H14O4 (222.0892)

A natural product found in Petroselinum sativum.

Phe Gly

C11H14N2O3 (222.1004)

Gly Phe

C11H14N2O3 (222.1004)

N-methylepibatidine

C12H15ClN2 (222.0924)

4-Aminohippurate

C11H14N2O3 (222.1004)

Valeroyl Salicylate

2-[(1-oxopentyl)oxy]-benzoic acid

C12H14O4 (222.0892)

3,4,5-TRIMETHOXYCINNAMALDEHYDE

C12H14O4 (222.0892)

2E,4E,8E,10E-Dodecatetraenedioic acid

C12H14O4 (222.0892)

Gly-phe

2-(2-amino-3-phenylpropanamido)acetic acid

C11H14N2O3 (222.1004)

A dipeptide formed from glycine and L-phenylalanine residues.

Phe-gly

2-(2-aminoacetamido)-3-phenylpropanoic acid

C11H14N2O3 (222.1004)

A dipeptide formed from L-phenylalanine and glycine residues.

3-Methoxy-4-hydroxyphenylvalerolactone

5-(3-Methoxy-4-hydroxyphenyl)-gamma-valerolactone

C12H14O4 (222.0892)

Isodillapiole

4,5-dimethoxy-6-[(1E)-prop-1-en-1-yl]-2H-1,3-benzodioxole

C12H14O4 (222.0892)

AKS-bbb/456

7,8-dihydroxy-3,5,7-trimethyl-7,8-dihydro-6H-isochromen-6-one

C12H14O4 (222.0892)

Piperhydronic acid

5-(3,4-Methylenedioxyphenyl)pentanoic acid

C12H14O4 (222.0892)

FEMA 2913

Propanoic acid, 2-methyl-, 1,3-benzodioxol-5-ylmethyl ester

C12H14O4 (222.0892)

Isobutavan

4-Formyl-2-methoxyphenyl 2-methylpropanoate

C12H14O4 (222.0892)

(Z)-3-(2,4,5-Trimethoxyphenyl)-2-propenal

(2Z)-3-(2,4,5-trimethoxyphenyl)prop-2-enal

C12H14O4 (222.0892)

3-Hydroxy-6-methoxy-2,2-dimethyl-4-chromanone

2,3-Dihydro-3-hydroxy-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one

C12H14O4 (222.0892)

FA 12:5;O2

2E,4E,8E,10E-Dodecatetraenedioic acid

C12H14O4 (222.0892)

2,4,5-Trimethoxycinnamaldehyde

C12H14O4 (222.0892)

Thiourea, N-(aminoiminomethyl)-N-methyl-N-(2-methylphenyl)- (9CI)

C10H14N4S (222.0939)

2-(2,2-Dimethyl-propionylamino)-isonicotinic acid

C11H14N2O3 (222.1004)

3-(2,2-DIMETHYL-PROPIONYLAMINO)-ISONICOTINIC ACID

C11H14N2O3 (222.1004)

2-METHYL-4-OXO-4-(2-METHOXYPHENYL)BUTYRIC ACID

C12H14O4 (222.0892)

3-(TERT-BUTOXYCARBONYL)BENZOICACID

C12H14O4 (222.0892)

AC-TYR-NH2

C11H14N2O3 (222.1004)

Ethyl 1-methyl-7-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate

C11H14N2O3 (222.1004)

2-(TRIFLUOROACETYL)CYCLOOCTANONE

C10H13F3O2 (222.0868)

N-(2-nitro-4-propylphenyl)acetamide

C11H14N2O3 (222.1004)

2-nitro-5-piperidin-1-ylphenol

C11H14N2O3 (222.1004)

3-Methyl-Butanoic Acid (3,6-Dioxo-1,4-Cyclohexadien-1-Yl)Methyl Este

C12H14O4 (222.0892)

ethyl 2-(4-ethoxyphenyl)-2-oxoacetate

C12H14O4 (222.0892)

4-((TETRAHYDRO-2H-PYRAN-4-YL)OXY)BENZOIC ACID

C12H14O4 (222.0892)

Benzonitrile, 2-(4-piperidinyl)-

C12H15ClN2 (222.0924)

5-(2-phenylphenyl)-2H-tetrazole

5-([1,1-Biphenyl]-2-YL)-2H-tetrazole

C13H10N4 (222.0905)

p-Phenylenedipropionic Acid

C12H14O4 (222.0892)

3-(4-Ethoxy-3-methoxyphenyl)acrylic acid

C12H14O4 (222.0892)

6-METHOXY-CHROMAN-3-CARBOXYLIC ACID METHYL ESTER

C12H14O4 (222.0892)

8-METHOXY-CHROMAN-3-CARBOXYLIC ACID METHYL ESTER

C12H14O4 (222.0892)

7-METHOXY-CHROMAN-3-CARBOXYLIC ACID METHYL ESTER

C12H14O4 (222.0892)

4-(4-NITRO-PHENOXY)-PIPERIDINE

C11H14N2O3 (222.1004)

4-(2-methyl-4-nitrophenyl)morpholine

C11H14N2O3 (222.1004)

4-CHLORO-2-PYRROLIDINOBENZOIC ACID

C12H14O4 (222.0892)

Diethyl terephthalate

C12H14O4 (222.0892)

(S)-3-Benzyl-4-methoxy-4-oxobutanoic acid

C12H14O4 (222.0892)

4-Cyano-4-phenylpiperidine hydrochloride

C12H15ClN2 (222.0924)

BENZYL (2-(METHYLAMINO)-2-OXOETHYL)CARBAMATE

C11H14N2O3 (222.1004)

heptamethyltrisiloxane

C7H22O2Si3 (222.0928)

2-N-Boc-amino-3-formylpyridine

C11H14N2O3 (222.1004)

2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate

C12H14O4 (222.0892)

dimethyl 2,5-dimethylbenzene-1,4-dicarboxylate

C12H14O4 (222.0892)

2-Methoxy-6-(pyrrolidin-1-yl)nicotinic acid

C11H14N2O3 (222.1004)

7-HYDROXY-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE-2-CARBOXYLICACIDMETHYLESTER

C11H14N2O3 (222.1004)

3-Amino-4-morpholin-4-yl-benzoic acid

C11H14N2O3 (222.1004)

ethyl 8-chloro-6-hydroxyoctanate

C10H19ClO3 (222.1023)

4-(3-Nitrobenzyl)morpholine

C11H14N2O3 (222.1004)

3,5-Di(2-pyridyl)pyrazole

C13H10N4 (222.0905)

9-Phenanthreneboronic acid

C14H11BO2 (222.0852)

H-Gly-D-Phe-OH

C11H14N2O3 (222.1004)

2-Propanamine,2-methyl-N-[(4-nitrophenyl)methylene]-, N-oxide

C11H14N2O3 (222.1004)

N-(2-ISOPROPYL-4-NITROPHENYL)ACETAMIDE

C11H14N2O3 (222.1004)

N-(2-ISOPROPYL-6-NITROPHENYL)ACETAMIDE

C11H14N2O3 (222.1004)

2-butoxycarbonyl-3,4,5,6-tetradeuteriobenzoic acid

C12H14O4 (222.0892)

POTASSIUM UNDECYLENATE

C11H19KO2 (222.1022)

2-METHYL-4-OXO-4-(4-METHOXYPHENYL)BUTYRIC ACID

C12H14O4 (222.0892)

Detomidine hydrochloride

C12H15ClN2 (222.0924)

D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics Detomidine hydrochloride, an imidazole derivative, is a potent α2-adrenergic agonist. Detomidine hydrochloride produces dose-dependent analgesic effects[1][2].

2-(TETRAHYDROPYRAN-4-YLOXY)BENZOIC ACID

C12H14O4 (222.0892)

5,7-DODECADIYNEDIOIC ACID

C12H14O4 (222.0892)

Ethyl 3-(3-methoxyphenyl)-3-oxopropanoate

C12H14O4 (222.0892)

2-Anthrylboronic acid

C14H11BO2 (222.0852)

2-HYDROXY-4-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)BENZALDEHYDE

C12H14O4 (222.0892)

AcBut

C12H14O4 (222.0892)

Methyl 3,4-dimethoxycinnamate

2-Propenoic acid,3-(3,4-dimethoxyphenyl)-, methyl ester

C12H14O4 (222.0892)

Dimethyl Benzylmalonate

dimethyl 2-benzylpropanedioate

C12H14O4 (222.0892)

4-(2-NITROBENZYL)MORPHOLINE

C11H14N2O3 (222.1004)

Ethyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate

C12H14O4 (222.0892)

Benzyl Ethyl Malonate

C12H14O4 (222.0892)

2-ACETOXY-4-PHENYLBUTANOIC ACID

C12H14O4 (222.0892)

1-(4-nitrophenyl)piperidin-3-ol

C11H14N2O3 (222.1004)

Ethynyl(methyl)diphenylsilane

C15H14Si (222.0865)

3,5-Heptanedione,2,2,6,6-tetramethyl-, ion(1-), potassium (1:1)

C11H19KO2 (222.1022)

1,1,1,3,5,5,5-Heptamethyltrisiloxane

C7H22O2Si3 (222.0928)

methyl 6-morpholinonicotinate

C11H14N2O3 (222.1004)

5-AMINO-2-MORPHOLIN-4-YL-BENZOIC ACID

C11H14N2O3 (222.1004)

4-(3-methoxy-phenyl)-3-oxo-butyric acid methyl ester

C12H14O4 (222.0892)

1,2-Ethanediol,1-phenyl-, 1,2-diacetate

C12H14O4 (222.0892)

2,2,5,5-tetramethyl-3-imidazoline-1-oxyl-carboxylic acid, sodium salt, free radical

C9H15N2NaO3+ (222.098)

5-tert-Butylisophthalic Acid

C12H14O4 (222.0892)

4-(3-Methyl-4-nitrophenyl)morpholine

C11H14N2O3 (222.1004)

TERT-BUTYL(5-FORMYLPYRIDIN-2-YL)CARBAMATE

C11H14N2O3 (222.1004)

Benzyl (1-amino-1-oxo-2-propanyl)carbamate

C11H14N2O3 (222.1004)

1,4-Dipropionyloxybenzene

C12H14O4 (222.0892)

methyl 2-acetamido-3-(pyridin-3-yl)propanoate

C11H14N2O3 (222.1004)

methyl 4-(2-methoxyphenyl)-4-oxobutanoate

C12H14O4 (222.0892)

2-(4-acetyl-phenoxy)-2-methyl-propionic acid

C12H14O4 (222.0892)

2-(5-chloro-1H-indol-3-yl)-N,N-dimethylethanamine

C12H15ClN2 (222.0924)

1,5-Diphenyltetrazole

C13H10N4 (222.0905)

1-Allyl-3-vinyl-1H-imidazol-3-ium tetrafluoroborate

C8H11BF4N2 (222.0951)

tert-Butyl (6-formylpyridin-2-yl)carbamate

C11H14N2O3 (222.1004)

ethyl (E)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoate

C12H14O4 (222.0892)

3-(2-ETHOXYCARBONYL-ETHYL)-BENZOIC ACID

C12H14O4 (222.0892)

Diethyl isophthalate

C12H14O4 (222.0892)

3-(3-M-TOLYL-UREIDO)-PROPIONIC ACID

C11H14N2O3 (222.1004)

Tetrahydrofurfuryl salicylate

C12H14O4 (222.0892)

6-Pivalamidonicotinic acid

C11H14N2O3 (222.1004)

Triafungin

C13H10N4 (222.0905)

C254 - Anti-Infective Agent > C514 - Antifungal Agent

2-PYRIDIN-3-YL-QUINAZOLIN-4-YLAMINE

C13H10N4 (222.0905)

2-hydroxy-4-piperazin-1-ylbenzoic acid

C11H14N2O3 (222.1004)

(R)-(+)-PROPYLENEOXIDE

C12H14O4 (222.0892)

5-(3-METHOXYPHENYL)-5-OXOVALERIC ACID

C12H14O4 (222.0892)

1-[3-methoxy-4-(oxiran-2-ylmethoxy)phenyl]ethanone

C12H14O4 (222.0892)

6-(PYRIDIN-4-YL)-1,8-NAPHTHYRIDIN-2-AMINE

C13H10N4 (222.0905)

5-Pivalamidonicotinic acid

C11H14N2O3 (222.1004)

1-(3,4-DIMETHOXY-PHENYL)-CYCLOPROPANECARBOXYLIC ACID

C12H14O4 (222.0892)

4-((TETRAHYDROFURAN-2-YL)METHOXY)BENZOIC ACID

C12H14O4 (222.0892)

4-(4-Nitrobenzyl)morpholine

C11H14N2O3 (222.1004)

Methyl 3-(cyclopropylmethoxy)-4-hydroxybenzoate

C12H14O4 (222.0892)

2-BOC-AMINO-4-FORMYLPYRIDINE

C11H14N2O3 (222.1004)

2-AMINO-2-METHYL-(3-(3,4-METHYLENEDIOXYPHENYL))PROPANAMIDE

C11H14N2O3 (222.1004)

5-BIPHENYL-3-YL-2H-TETRAZOLE

C13H10N4 (222.0905)

(2,2-DIMETHYL-2,3-DIHYDRO-BENZOFURAN-7-YLOXY)-ACETIC ACID

C12H14O4 (222.0892)

4-PIPERIDIN-4-YLBENZONITRILE

C12H15ClN2 (222.0924)

(R)-3-Benzyl-4-methoxy-4-oxobutanoic acid

C12H14O4 (222.0892)

1-(2-Methoxy-4-nitrophenyl)pyrrolidine

C11H14N2O3 (222.1004)

2-AMINO-1-(4-CARBAMOYL-PIPERAZINE-1-YL)-ETHANONE HCL

C7H15ClN4O2 (222.0883)

4-(4-methoxy-2-methyl-phenyl)-4-oxo-butanoic acid

C12H14O4 (222.0892)

4-(pyrrolidin-1-ylmethyl)benzonitrile

C12H15ClN2 (222.0924)

METHYL 4-HYDROXY-2,2-DIMETHYL-2,3-DIHYDROBENZOFURAN-6-CARBOXYLATE

C12H14O4 (222.0892)

N-(2-(4-Nitrophenoxy)ethyl)cyclopropanamine

C11H14N2O3 (222.1004)

1-(5-acetyl-2,4-dimethoxyphenyl)ethanone

C12H14O4 (222.0892)

Methyl 3-(4-Methoxycarbonylphenyl)propionate

C12H14O4 (222.0892)

1H-Pyrrolo[2,3-b]pyridine, 4-chloro-2-(1,1-dimethylethyl)-5-Methyl-

C12H15ClN2 (222.0924)

Methyl 5-Morpholinonicotinate

C11H14N2O3 (222.1004)

2-[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]acetic acid

C11H14N2O3 (222.1004)

2-(4-CHLOROBENZYL)-2,5-DIAZA-BICYCLO[2.2.1]HEPTANE

C12H15ClN2 (222.0924)

1,4-bis(glycidyloxy)benzene

C12H14O4 (222.0892)

Dimethyl (2-oxoheptyl)phosphonate

C9H19O4P (222.1021)

4-[(2,2-DIMETHYLPROPANOYL)AMINO]NICOTINIC ACID

C11H14N2O3 (222.1004)

4-tert-Butoxycarbonylbenzoic acid

C12H14O4 (222.0892)

(4-ethenyl-2,6-dimethoxyphenyl) acetate

C12H14O4 (222.0892)

4-(2-ACETOXYETHOXY)ACETOPHENONE

C12H14O4 (222.0892)

2-hydroxy-5-piperazin-1-ylbenzoic acid

C11H14N2O3 (222.1004)

(S)-(-)-1-(2-BROMOPHENYL)ETHYLAMINE

C11H14N2O3 (222.1004)

Cbz-Ala-NH2

C11H14N2O3 (222.1004)

2-(4-MORPHOLINYL)-PYRIDINE-4-CARBOXYLIC ACID METHYL ESTER

C11H14N2O3 (222.1004)

tert-Butyl (3-formylpyridin-4-yl)carbamate

C11H14N2O3 (222.1004)

tert-butyl 4-formylpyridin-3-ylcarbamate

C11H14N2O3 (222.1004)

TERT-BUTYL 4-FORMYLPHENYL CARBONATE

C12H14O4 (222.0892)

TERT-BUTYL (5-FORMYLPYRIDIN-2-YL)CARBAMATE

C11H14N2O3 (222.1004)

Eugenolglycolic acid

C12H14O4 (222.0892)

4,5,6-TRIMETHOXY-2,3-DIHYDRO-1H-INDEN-1-ONE

C12H14O4 (222.0892)

2-BENZYL-MALONIC ACID MONOETHYL ESTER

C12H14O4 (222.0892)

2-morpholin-4-yl-2-pyridin-3-ylacetic acid

C11H14N2O3 (222.1004)

2-PHENYL-5-METHYL-1,3-DIOXANE-5-CARBOXYLIC ACID

C12H14O4 (222.0892)

tert-Butyl 2-formylpyridin-4-ylcarbamate

C11H14N2O3 (222.1004)

Ethyl 3-(2-methoxyphenyl)-3-oxopropanoate

C12H14O4 (222.0892)

Hepadial

Dimecrotic acid

C12H14O4 (222.0892)

Methyl 5-allyl-2-hydroxy-3-methoxybenzoate

C12H14O4 (222.0892)

4-(2,3-Dihydro-1,4-benzodioxin-6-yl)butanoic acid

4-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-6-YL)BUTANOIC ACID

C12H14O4 (222.0892)

9-Anthrylboronic acid

C14H11BO2 (222.0852)

Benzenebutanoic acid,2-methoxy-5-methyl-g-oxo-

C12H14O4 (222.0892)

Z-D-Ala-NH2

C11H14N2O3 (222.1004)

3-(3-Phenyl-1H-1,2,4-triazol-5-yl)pyridine

C13H10N4 (222.0905)

2-Amino-4-morpholinobenzoic Acid

C11H14N2O3 (222.1004)

5-Methyl-5-vinyl-5H-dibenzo[b,d]silole

C15H14Si (222.0865)

2-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid

C11H14N2O3 (222.1004)

BzDMIMCl

C12H15ClN2 (222.0924)

6-(pyridin-4-yl)quinazolin-2-amine

C13H10N4 (222.0905)

Methyl 4-(4-formylphenoxy)butanoate

C12H14O4 (222.0892)

DIMETHYL 2-BENZYLMALONATE

C12H14O4 (222.0892)

10-chloro-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline

C12H15ClN2 (222.0924)

1-(2,4,5-TRIMETHYLPHENYL)-2-THIOUREA

C12H14O4 (222.0892)

METHYL 2-(4-(2-OXOPROPYL)PHENOXY)ACETATE

C12H14O4 (222.0892)

4-(4-METHOXY-3-METHYL-PHENYL)-4-OXO-BUTYRIC ACID

C12H14O4 (222.0892)

4-Hydroxy-1-(4-nitrophenyl)piperidine

C11H14N2O3 (222.1004)

ETHOXYCARBONYLMETHYL PHENYLACETATE

C12H14O4 (222.0892)

1,3-dioxolane-4-acetic acid, 2-phenyl-, methyl ester, (s)

C12H14O4 (222.0892)

N-[2-[(2-HYDROXYETHYL)AMINO]-2-OXOETHYL]BENZENECARBOXAMIDE

C11H14N2O3 (222.1004)

2-Amino-5-morpholinobenzoic Acid

C11H14N2O3 (222.1004)

2,3,5,6-tetramethylterephthalic acid

C12H14O4 (222.0892)

3-(4-ethoxy-3-methoxyphenyl)prop-2-enoic acid

C12H14O4 (222.0892)

HCL-VAL-?[CS-N]-PYRROLIDIDE

C9H19ClN2S (222.0957)

5-(4-phenylphenyl)-2H-tetrazole

C13H10N4 (222.0905)

3-(trimethoxysilyl)propyl acetate

C8H18O5Si (222.0923)

2h-1-benzopyran-2-carboxylic acid, 3,4-dihydro-7-hydroxy-, ethyl ester

C12H14O4 (222.0892)

ETHYL 4-METHOXYBENZOYLACETATE

C12H14O4 (222.0892)

4-(IODOMETHYL)TETRAHYDRO-2H-PYRAN

C11H14N2O3 (222.1004)

(6,7-dihydroxy-5,6,7,8-tetrahydronaphthalen-1-yl) acetate

C12H14O4 (222.0892)

3-Methylbenzylsuccinic acid

C12H14O4 (222.0892)

A dicarboxylic acid consisting of succinic acid carrying a 3-methylbenzyl group at position 2.

3,4-Dihydroxy-5-(3-methyl-2-butenyl)benzoic acid

C12H14O4 (222.0892)

Oxiranecarboxylic acid, 3-(4-methoxyphenyl)-, ethyl ester

C12H14O4 (222.0892)

5-[(3-Hydroxy-4-methoxyphenyl)methyl]oxolan-2-one

C12H14O4 (222.0892)

Dimethyl 2-phenylbutanedioate

C12H14O4 (222.0892)

4H-Pyrido[1,2-a]pyrimidine-3-carboxylic acid, 1,6,7,8-tetrahydro-1,6-dimethyl-4-oxo-

C11H14N2O3 (222.1004)

Ethyl 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate

C11H14N2O3 (222.1004)

3-Carboxymethyl-6-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

C11H14N2O3 (222.1004)

Anozol

InChI=1\C12H14O4\c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2\h5-8H,3-4H2,1-2H

C12H14O4 (222.0892)

AI3-23714

(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid ethyl ester

C12H14O4 (222.0892)

C26170 - Protective Agent > C275 - Antioxidant Ethyl ferulate, a naturally lipophilic derivative of ferulic acid originally derived from Rhizoma Chuanxiong, induces heme oxygenase-1 (HO-1) and protects rat neurons against oxidative stress[1]. Ethyl ferulate also protects neurons against amyloid β peptide (1-42)-induced oxidative stress and neurotoxicity[2]. Ethyl ferulate, a naturally lipophilic derivative of ferulic acid originally derived from Rhizoma Chuanxiong, induces heme oxygenase-1 (HO-1) and protects rat neurons against oxidative stress[1]. Ethyl ferulate also protects neurons against amyloid β peptide (1-42)-induced oxidative stress and neurotoxicity[2].

34-74-2

1,2-Benzenedicarboxylic acid, monobutyl ester

C12H14O4 (222.0892)

Monobutyl phthalate, a major metabolite of dibutyl phthalate (DBP), possesses antiandrogenic effects. Monobutyl phthalate is an embryotoxicant[1][2]. Monobutyl phthalate, a major metabolite of dibutyl phthalate (DBP), possesses antiandrogenic effects. Monobutyl phthalate is an embryotoxicant[1][2].

Apiol

Benzene, 1-allyl-2,5-dimethoxy-3,4-(methylenedioxy)-

C12H14O4 (222.0892)

Monoisobutylphthalic Acid

C12H14O4 (222.0892)

valerylsalicylic acid

Salicylic acid, valerate

C12H14O4 (222.0892)

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

(2E,4E,8E,10E)-dodecatetraenedioic acid

C12H14O4 (222.0892)

A dodecatetraenedioic acid with double bonds at positions 2, 4, 8, and 10 (all E isomer).

(2S)-2-(2-azaniumylacetamido)-3-phenylpropanoate

C11H14N2O3 (222.1004)

gamma-Glutamylanilide

C11H14N2O3 (222.1004)

2,3,4-Trihydroxy-5-(2-methylpropylsulfanyl)pentanal

C9H18O4S (222.0926)

6,12-Diimino-3,5,9,11-tetrazatricyclo[6.4.0.02,7]dodecane-4,10-dione

C8H10N6O2 (222.0865)

(R)-3-Hydroxy-1-[(S)-4-hydroxy-1,3-dihydroisobenzofuran-1-yl]butan-2-one

C12H14O4 (222.0892)

A natural product found in Pestalotiopsis virgatula.

(R)-3-Hydroxy-1-[(R)-4-hydroxy-1,3-dihydroisobenzofuran-1-yl]butan-2-one

C12H14O4 (222.0892)

A natural product found in Pestalotiopsis virgatula.

2-Amino-4-(2-aminophenyl)-2-methyl-4-oxobutanoic acid

C11H14N2O3 (222.1004)

4-(5,6-diamino-2-oxo-4,5-dihydro-3H-pyrimidin-4-yl)-1H-pyrimidin-2-one

C8H10N6O2 (222.0865)

6-(4,5-diamino-2-oxo-5,6-dihydro-1H-pyrimidin-6-yl)-1,3-diazabicyclo[2.2.0]hex-4-en-2-one

C8H10N6O2 (222.0865)

4,5-Diamino-1,4a,4b,8,8a,8b-hexahydrocyclobuta[1,2-d:4,3-d]dipyrimidine-2,7-dione

C8H10N6O2 (222.0865)

Sclerotinin C

C12H14O4 (222.0892)

6-Methoxypurine, TMS derivative

C9H14N4OSi (222.0937)

N(5)-phenyl-L-glutamine

C11H14N2O3 (222.1004)

An L-glutamine derivative obtained by the formal condensation of the side-chain carboxy group of L-glutamic acid with the amino group of aniline.

Dillapiol

Dillapiole

C12H14O4 (222.0892)

A natural product found in Anethum graveolens.

Piperonyl isobutyrate

Propanoic acid,2-methyl-, 1,3-benzodioxol-5-ylmethyl ester

C12H14O4 (222.0892)

H-Gly-DL-Phe-OH

Glycyl-DL-phenylalanine

C11H14N2O3 (222.1004)

5-(3,4-Methylenedioxyphenyl)pentanoic acid

C12H14O4 (222.0892)

5-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

C12H14O4 (222.0892)

Dihydrodeoxy-8-epiaustdiol

C12H14O4 (222.0892)

2,3-Dihydro-3-hydroxy-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one

C12H14O4 (222.0892)

4-(5,6-diamino-2-oxo-2,3,4,5-tetrahydropyrimidin-4-yl)-1,2-dihydropyrimidin-2-one

C8H10N6O2 (222.0865)

A member of the class of pyrimidones that is 1,2-dihydropyrimidin-2-one in which the hydrogen at position 4 is replaced by a 5,6-diamino-2-oxo-2,3,4,5-tetrahydropyrimidin-4-yl group.

4,5-diamino-1,2,4a,4b,7,8,8a,8b-octahydro-1,3,6,8-tetraazabiphenylene-2,7-dione

C8H10N6O2 (222.0865)

A member of the class of cyclobutadipyrimidines that is 1,4a,4b,8,8a,8b-hexahydrocyclobuta[1,2-d:4,3-d]dipyrimidine-2,7-dione carrying two additional amino substituents at positions 4 and 5.

N(5)-phenyl-L-glutamine zwitterion

C11H14N2O3 (222.1004)

An amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of N(5)-phenyl-L-glutamine; major species at pH 7.3.

6-(5,6-diamino-2-oxo-2,3,4,5-tetrahydropyrimidin-4-yl)-1,3-diazabicyclo[2.2.0]hex-4-en-2-one

C8H10N6O2 (222.0865)

A member of the class of azabicycloalkanes that is 1,3-diazabicyclo[2.2.0]hex-4-en-2-one substituted at position 6 by a 5,6-diamino-2-oxo-2,3,4,5-tetrahydropyrimidin-4-yl group.

Gly-Phe zwitterion

C11H14N2O3 (222.1004)

A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Gly-Phe.

Methoxyhydroxyphenylgamma-valerolactone

C12H14O4 (222.0892)

(3s)-6-hydroxy-8-methoxy-3-methyl-3,4-dihydro-1h-2-benzopyran-7-carbaldehyde

C12H14O4 (222.0892)

4-{[(3s,5r)-2-oxo-5-(prop-1-en-2-yl)oxolan-3-yl]methyl}-5h-furan-2-one

C12H14O4 (222.0892)

(3s)-8-hydroxy-7-methoxy-3,5-dimethyl-3,4-dihydro-2-benzopyran-1-one

C12H14O4 (222.0892)

methyl (2r)-3-(benzoyloxy)-2-methylpropanoate

C12H14O4 (222.0892)

methyl 3-(benzoyloxy)-2-methylpropanoate

C12H14O4 (222.0892)

3-(3,4,5-trimethoxyphenyl)prop-2-enal

C12H14O4 (222.0892)

(2s,3s)-2-ethyl-2,3,8-trihydroxy-3,4-dihydronaphthalen-1-one

C12H14O4 (222.0892)

(3r)-7-hydroxy-8-methoxy-3,5-dimethyl-3,4-dihydro-2-benzopyran-1-one

C12H14O4 (222.0892)

(2s)-2-(hydroxymethyl)-5-methoxy-2-methylchromen-6-ol

C12H14O4 (222.0892)

3-ethyl-5,7-dihydroxy-3,6-dimethyl-2-benzofuran-1-one

C12H14O4 (222.0892)

(3r)-5,8-dihydroxy-3-propyl-3,4-dihydro-2-benzopyran-1-one

C12H14O4 (222.0892)

4,8-dihydroxy-6-methoxy-7-methyl-3,4-dihydro-2h-naphthalen-1-one

C12H14O4 (222.0892)

mono-n-butylphthalate

C12H14O4 (222.0892)

1-(3-methylbut-2-en-1-yl)-7-oxo-6-oxabicyclo[3.2.0]hept-2-ene-3-carboxylic acid

C12H14O4 (222.0892)

8-hydroxy-7-methoxy-3,5-dimethyl-3,4-dihydro-2-benzopyran-1-one

C12H14O4 (222.0892)

methyl (2e)-4-(4-hydroxy-3-methoxyphenyl)but-2-enoate

C12H14O4 (222.0892)

(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-enal

C12H14O4 (222.0892)

6,8-dihydroxy-3,4,7-trimethyl-3,4-dihydro-2-benzopyran-1-one

C12H14O4 (222.0892)

(3s)-3,8-dihydroxy-3-propyl-1h-2-benzopyran-4-one

C12H14O4 (222.0892)

4,5-dimethoxy-6-(prop-1-en-1-yl)-2h-1,3-benzodioxole

C12H14O4 (222.0892)

5,7-dimethoxy-2-methyl-2,3-dihydro-1-benzopyran-4-one

C12H14O4 (222.0892)

(3r,4s)-6,8-dihydroxy-3,4,5-trimethyl-3,4-dihydro-2-benzopyran-1-one

C12H14O4 (222.0892)

4,5-dimethoxy-7-(prop-1-en-1-yl)-2h-1,3-benzodioxole

C12H14O4 (222.0892)

(2s)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylic acid

C12H14O4 (222.0892)

4,7-Dihydroxy-3-butylphthalide

3-butyl-4,7-dihydroxy-3H-2-benzofuran-1-one; AC1NSUMB; 4,7-dihydroxy-3-butylphthalide

C12H14O4 (222.0892)

{"Ingredient_id": "HBIN010093","Ingredient_name": "4,7-Dihydroxy-3-butylphthalide","Alias": "3-butyl-4,7-dihydroxy-3H-2-benzofuran-1-one; AC1NSUMB; 4,7-dihydroxy-3-butylphthalide","Ingredient_formula": "C12H14O4","Ingredient_Smile": "CCCCC1C2=C(C=CC(=C2C(=O)O1)O)O","Ingredient_weight": "222.26","OB_score": "106.0864703","CAS_id": "NA","SymMap_id": "SMIT01029","TCMID_id": "5781","TCMSP_id": "MOL002178","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

5,6,7-Trimethoxy-1-indanone

C12H14O4 (222.0892)

{"Ingredient_id": "HBIN011117","Ingredient_name": "5,6,7-Trimethoxy-1-indanone","Alias": "NA","Ingredient_formula": "C12H14O4","Ingredient_Smile": "COC1=C(C(=C2C(=C1)CCC2=O)OC)OC","Ingredient_weight": "222.24 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40860","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "610210","DrugBank_id": "NA"}