Exact Mass: 222.0865

Exact Mass Matches: 222.0865

Found 498 metabolites which its exact mass value is equals to given mass value 222.0865, 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.

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).

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)

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)

4-Acridinecarboxamide

acridine-4-carboxamide

C14H10N2O (222.0793)

6-Fluoro-DL-tryptophan

2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid

C11H11FN2O2 (222.0805)

Glucosamine, N-carbamoyl-(6CI)

(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)urea

C7H14N2O6 (222.0852)

beta-D-Glucopyranosylurea

N-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamimidate

C7H14N2O6 (222.0852)

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.

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].

3,5-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)

4,5-Dihydrocanthin-6-one

C14H10N2O (222.0793)

3-(4-ethoxybenzoyl)propionic acid

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

C12H14O4 (222.0892)

8-(2-pyridinyloxy)quinoline

C14H10N2O (222.0793)

Oprea1_807523

C10H14N4S (222.0939)

2-phenylphthalazin-1(2h)-one

C14H10N2O (222.0793)

4-phenylquinazolin-2(1H)-one

C14H10N2O (222.0793)

Q63395726

C12H14O4 (222.0892)

UNII:3I7LZ8M32B

6-Fluoro-DL-tryptophan

C11H11FN2O2 (222.0805)

relative retention time with respect to 9-anthracene Carboxylic Acid is 0.230 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.222

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

C12H14O4 (222.0892)

Sclerolide

C12H14O4 (222.0892)

Oprea1_737676

C7H14N2O6 (222.0852)

2,2-Dimethyl-7-hydroxy-6-methoxy-4-chromanone

C12H14O4 (222.0892)

1-(2-hydroxy-4,6-dimethoxyphenyl)but-2-en-1-one

C12H14O4 (222.0892)

Heptacyclosordariolone

C12H14O4 (222.0892)

Arthropsatriol C

C12H14O4 (222.0892)

2-Isopropyl-3-acetoxy-5-methyl-2,5-cyclohexadiene-1,4-dione

C12H14O4 (222.0892)

6,8-DMD-isocoumarin

C12H14O4 (222.0892)

1-phenylquinazolin-4-one

C14H10N2O (222.0793)

methyl 2-acetoxy 3-phenyl propanoate

C12H14O4 (222.0892)

anthriscinol methyl ether

C12H14O4 (222.0892)

2-methoxy-4-propanoylphenyl acetate

C12H14O4 (222.0892)

NSC39441

C12H14O4 (222.0892)

2,2-Dimethyl-6-hydroxy-7-methoxy-4-chromanone

C12H14O4 (222.0892)

2,3-Dihydro-5,7-dihydroxy-2,6,8-trimethyl-4H-1-benzopyran-4-one

C12H14O4 (222.0892)

Sordariolone

C12H14O4 (222.0892)

3-Ethyl-5,7-dihydroxy-3,6-dimethyl-1(3H)-isobenzofuranone

C12H14O4 (222.0892)

2-(1-Hydroxy-1-methylethyl)-2,3-dihydrobenzofuran-5-carboxylic acid

C12H14O4 (222.0892)

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

C12H14O4 (222.0892)

(3xi,10R)-3,10-Dihydroxy-11-dodecene-6,8-diynoic acid

C12H14O4 (222.0892)

2,3-Dihydro-2-(1,2-dihydroxy-1-methylethyl)-5-benzofurancarbaldehyde

C12H14O4 (222.0892)

Senkyunolide D

C12H14O4 (222.0892)

3,4-Dihydro-8-hydroxy-6-methoxy-3,5-dimethyl-1H-2-benzopyran-1-one

C12H14O4 (222.0892)

(-)-calaminthone|Calaminthone

C12H14O4 (222.0892)

3-(2-hydroxypropyl)-8-hydroxyl-3,4-dihydroisocoumarin

C12H14O4 (222.0892)

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

C12H14O4 (222.0892)

3,4-Dihydro-8-hydroxy-7-(hydroxymethyl)-3,4-dimethyl-1H-2-benzopyran-1-one

C12H14O4 (222.0892)

DTXSID90576724

C12H14O4 (222.0892)

Di-Ac-3,5-Octadiyne-1,8-diol

C12H14O4 (222.0892)

bmse010014

C12H14O4 (222.0892)

CHEMBL2296051

C14H10N2O (222.0793)

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

C12H14O4 (222.0892)

CHEMBL506190

C12H14O4 (222.0892)

phomolactone B

C12H14O4 (222.0892)

CHEMBL469641

C12H14O4 (222.0892)

phomolactone C

C12H14O4 (222.0892)

rel-(3R,4S)-6,8-dihydroxy-3,4-dihydro-3,4,7-trimethylisocoumarin

C12H14O4 (222.0892)

SCHEMBL13021618

C12H14O4 (222.0892)

CV-1

C7H14N2O6 (222.0852)

3,4-Dihydro-6-hydroxy-8-methoxy-3,5-dimethyl-1H-2-benzopyran-1-one

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)

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)

SCHEMBL7670850

C14H10N2O (222.0793)

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

C12H14O4 (222.0892)

3-phenylquinazolin-4(3h)-one

C14H10N2O (222.0793)

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

C12H14O4 (222.0892)

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)

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)

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)

2-anilinoindol-3-one

C14H10N2O (222.0793)

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

C12H14O4 (222.0892)

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)

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.

N-methylepibatidine

C12H15ClN2 (222.0924)

Valeroyl Salicylate

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

C12H14O4 (222.0892)

3,4,5-TRIMETHOXYCINNAMALDEHYDE

C12H14O4 (222.0892)

cis-ACCP

P-[[[(1R,2S)-2-aminocyclohexyl]amino]carbonyl]-phosphonic acid

C7H15N2O4P (222.0769)

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

C12H14O4 (222.0892)

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)

4-QUINOXALIN-2-YLPHENOL

C14H10N2O (222.0793)

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

C10H14N4S (222.0939)

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

C12H14O4 (222.0892)

3-(TERT-BUTOXYCARBONYL)BENZOICACID

C12H14O4 (222.0892)

Cyclohexanecarbonyl chloride, 1-phenyl-

C13H15ClO (222.0811)

4-(2-Fluoro-4-isocyanatophenyl)morpholine

C11H11FN2O2 (222.0805)

1-P-TOLYLCYCLOPENTANECARBONYLCHLORIDE

C13H15ClO (222.0811)

2-(TRIFLUOROACETYL)CYCLOOCTANONE

C10H13F3O2 (222.0868)

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

C12H14O4 (222.0892)

2-(4-HYDROXYPHENYL)-1,8-NAPHTHYRIDINE

C14H10N2O (222.0793)

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)

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

C14H10N2O (222.0793)

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-(1H-benzimidazol-2-yl)benzaldehyde

C14H10N2O (222.0793)

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)

heptamethyltrisiloxane

C7H22O2Si3 (222.0928)

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

C12H14O4 (222.0892)

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

C12H14O4 (222.0892)

2-Butyl-4-chloro-1-indanone

C13H15ClO (222.0811)

4-Fluoro-D-tryptophan

C11H11FN2O2 (222.0805)

3-AMINO-3-(4-FLUORO-INDOL-3-YL)-PROPIONIC ACID

C11H11FN2O2 (222.0805)

Phenyl phenylcarbonocyanidimidate

C14H10N2O (222.0793)

2-pyridin-3-yl-1h-indole-3-carbaldehyde

C14H10N2O (222.0793)

3-phenylimidazo[1,5-a]pyridine-1-carbaldehyde

C14H10N2O (222.0793)

3,5-Di(2-pyridyl)pyrazole

C13H10N4 (222.0905)

9-Phenanthreneboronic acid

C14H11BO2 (222.0852)

6-PHENYLQUINAZOLIN-4(3H)-ONE

C14H10N2O (222.0793)

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

C12H14O4 (222.0892)

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)

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)

Ethynyl(methyl)diphenylsilane

C15H14Si (222.0865)

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

C7H22O2Si3 (222.0928)

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

C12H14O4 (222.0892)

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

C12H14O4 (222.0892)

5-tert-Butylisophthalic Acid

C12H14O4 (222.0892)

1,4-Dipropionyloxybenzene

C12H14O4 (222.0892)

2-(PYRIDIN-3-YL)-2,3-DIHYDROBENZOFURAN-5-CARBONITRILE

C14H10N2O (222.0793)

2-Pyridin-4-yl-1H-indole-3-carbaldehyde

C14H10N2O (222.0793)

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

C12H14O4 (222.0892)

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

C12H14O4 (222.0892)

1-(4-Chlorophenyl)-4,4-dimethylpent-1-en-3-one

C13H15ClO (222.0811)

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)

1-Phenoxyphthalazine

C14H10N2O (222.0793)

1-hydroxy-5,5-dimethyl-2-phenylimidazolidine-4-thione

C11H14N2OS (222.0827)

2-phenylquinazolin-4-ol

C14H10N2O (222.0793)

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

C12H14O4 (222.0892)

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

C12H14O4 (222.0892)

7-fluoro-5-propan-2-yloxy-1H-quinazolin-4-one

C11H11FN2O2 (222.0805)

Diethyl isophthalate

C12H14O4 (222.0892)

dl-lysine-4,4,5,5-d4 2hcl

C6H12Cl2D4N2O2 (222.084)

Tetrahydrofurfuryl salicylate

C12H14O4 (222.0892)

Triafungin

C13H10N4 (222.0905)

C254 - Anti-Infective Agent > C514 - Antifungal Agent

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

C13H10N4 (222.0905)

DL-5-Fluorotryptophan

C11H11FN2O2 (222.0805)

(R)-(+)-PROPYLENEOXIDE

C12H14O4 (222.0892)

4-(1,6-Naphthyridin-7-yl)phenol

C14H10N2O (222.0793)

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)

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

C12H14O4 (222.0892)

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

C12H14O4 (222.0892)

5-fluoro-D-tryptophan

C11H11FN2O2 (222.0805)

Methyl 3-(cyclopropylmethoxy)-4-hydroxybenzoate

C12H14O4 (222.0892)

4-Phenyl-2(1H)-quinazolinone

C14H10N2O (222.0793)

2-methyl-2-propylpropane-1,3-diyl dinitrate

C7H14N2O6 (222.0852)

C - Cardiovascular system > C01 - Cardiac therapy > C01D - Vasodilators used in cardiac diseases > C01DA - Organic nitrates

1-(2-imino-1,3-thiazolidin-3-yl)-2-phenylethanol

C11H14N2OS (222.0827)

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)

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

C7H15ClN4O2 (222.0883)

5-PHENYL-2-(4-PYRIDYL)OXAZOLE

C14H10N2O (222.0793)

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

C12H14O4 (222.0892)

3-Phenyl-1H-quinoxalin-2-one

2(1H)-Quinoxalinone,3-phenyl-

C14H10N2O (222.0793)

Ethanone, 2-diazo-1,2-diphenyl-

C14H10N2O (222.0793)

4-(pyrrolidin-1-ylmethyl)benzonitrile

C12H15ClN2 (222.0924)

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

C12H14O4 (222.0892)

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)

3-Chloro-4-cyclohexylbenzaldehyde

C13H15ClO (222.0811)

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

C12H15ClN2 (222.0924)

1,4-bis(glycidyloxy)benzene

C12H14O4 (222.0892)

4-tert-Butoxycarbonylbenzoic acid

C12H14O4 (222.0892)

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

C12H14O4 (222.0892)

4-(2-ACETOXYETHOXY)ACETOPHENONE

C12H14O4 (222.0892)

1,3-Dimethylimidazolium Dimethyl Phosphate

C7H15N2O4P (222.0769)

3-amino-2-chloro-6-(trifluoromethyl)pyridine

C14H10N2O (222.0793)

2-amino-4,4,6,6-tetramethylthieno[2,3-c]furan-3-carbonitrile

C11H14N2OS (222.0827)

2-(2-Quinoxalinyl)phenol

C14H10N2O (222.0793)

TERT-BUTYL 4-FORMYLPHENYL CARBONATE

C12H14O4 (222.0892)

Eugenolglycolic acid

C12H14O4 (222.0892)

(5,5-DIMETHYL-MORPHOLIN-2-YL)-ACETICACID

C11H14N2OS (222.0827)

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

C12H14O4 (222.0892)

2-BENZYL-MALONIC ACID MONOETHYL ESTER

C12H14O4 (222.0892)

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

C12H14O4 (222.0892)

Normetanephrine-d3 hydrochloride

C9H11ClD3NO3 (222.085)

6-(3-methylbutyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C11H14N2OS (222.0827)

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-MORPHOLINOBENZENECARBOTHIOAMIDE

C11H14N2OS (222.0827)

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)

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

C13H10N4 (222.0905)

METHYL3-METHOXYTHIOPHENE-2-CARBOXYLATE

C14H10N2O (222.0793)

5-Fluorotryptophan

DL-5-Fluorotryptophan

C11H11FN2O2 (222.0805)

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

C15H14Si (222.0865)

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)

4-(1H-1,3-BENZIMIDAZOL-1-YL)BENZENECARBALDEHYDE

C14H10N2O (222.0793)

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

C12H14O4 (222.0892)

2-pyridin-2-yl-1h-indole-3-carbaldehyde

C14H10N2O (222.0793)

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

C12H14O4 (222.0892)

ETHOXYCARBONYLMETHYL PHENYLACETATE

C12H14O4 (222.0892)

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

C12H14O4 (222.0892)

2-Phenyl-4H-pyrido[1,2-a]pyrimidin-4-one

C14H10N2O (222.0793)

2,3,5,6-tetramethylterephthalic acid

C12H14O4 (222.0892)

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

C12H14O4 (222.0892)

4-Phenyl-2-hydrophthalazin-1-one

C14H10N2O (222.0793)

3-AMINO-3-(4-METHOXYPHENYL)-2-METHYLPROP-2-ENETHIOAMIDE

C11H14N2OS (222.0827)

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

C9H19ClN2S (222.0957)

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

C13H10N4 (222.0905)

4-Fluorotryptophan

C11H11FN2O2 (222.0805)

6-methyl-5-(2-trimethylsilylethynyl)-1H-pyrimidine-2,4-dione

C10H14N2O2Si (222.0825)

3-(trimethoxysilyl)propyl acetate

C8H18O5Si (222.0923)

2-Phenylimidazo[1,2-a]pyridine-3-carbaldehyde

2-phenyl-imidazo[1,2-a]pyridine-3-carbaldehyde

C14H10N2O (222.0793)

2-phenoxyethanimidamide hydrochloride dihydrate

C8H15ClN2O3 (222.0771)

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

C12H14O4 (222.0892)

ETHYL 4-METHOXYBENZOYLACETATE

C12H14O4 (222.0892)

N-(3-Cyanophenyl)benzamide

C14H10N2O (222.0793)

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

C12H14O4 (222.0892)

4-Fluorotryptophane

C11H11FN2O2 (222.0805)

3-Methylbenzylsuccinic acid

C12H14O4 (222.0892)

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

Glucose ureide

C7H14N2O6 (222.0852)

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

C12H14O4 (222.0892)

N-(2-ethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine

C11H14N2OS (222.0827)

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)

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).

Tryptophan, 6-fluoro-

C11H11FN2O2 (222.0805)

D,L-5-fluorotryptophan

C11H11FN2O2 (222.0805)

N,N-dihydroxy-L-trihomomethionine

C8H16NO4S- (222.08)

(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate

C11H12NO4- (222.0766)

(2S)-2-azaniumyl-3-(4-fluoro-1H-indol-3-yl)propanoate

C11H11FN2O2 (222.0805)

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)

3-phenyl-1H-cinnolin-4-one

C14H10N2O (222.0793)

(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.

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)

3-Pyridin-4-yl-8-quinolinol

C14H10N2O (222.0793)

N,N-dihydroxytrihomomethioninate

C8H16NO4S- (222.08)

Conjugate base of N,N-dihydroxytrihomomethionine.

Sclerotinin C

C12H14O4 (222.0892)

6-Methoxypurine, TMS derivative

C9H14N4OSi (222.0937)

N-acetyl-L-tyrosinate

C11H12NO4 (222.0766)

A monocarboxylic acid anion that is the conjugate base of N-acetyl-L-tyrosine, obtained by deprotonation of the carboxy group; major species at pH 7.3.

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)

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.

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.

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)

3,4,5,6-tetrahydroxy-2-(c-hydroxycarbonimidoylamino)hexanal

C7H14N2O6 (222.0852)

(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)

4,5-dihydrocanthin-6-one

C14H10N2O (222.0793)

{"Ingredient_id": "HBIN010007","Ingredient_name": "4,5-dihydrocanthin-6-one","Alias": "NA","Ingredient_formula": "C14H10N2O","Ingredient_Smile": "NA","Ingredient_weight": "222.24","OB_score": "48.58251573","CAS_id": "18122-85-5","SymMap_id": "SMIT07946","TCMID_id": "NA","TCMSP_id": "MOL006303","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

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"}