Exact Mass: 268.13985499999995
Exact Mass Matches: 268.13985499999995
Found 252 metabolites which its exact mass value is equals to given mass value 268.13985499999995,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Diethylstilbestrol
Diethylstilbestrol is a synthetic estrogen that was developed to supplement a womans natural estrogen production. In 1971, the Food and Drug Administration (FDA) issued a Drug Bulletin advising physicians to stop prescribing DES to pregnant women because it was linked to a rare vaginal cancer in female offspring. Diethylstilbesterol is found in gram bean. Diethylstilbestrol is a synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders. It was also used formerly as a growth promoter in animals. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), diethylstilbestrol has been listed as a known carcinogen. (Merck, 11th ed). G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CC - Estrogens, combinations with other drugs G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CB - Synthetic estrogens, plain L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02A - Hormones and related agents > L02AA - Estrogens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D009676 - Noxae > D002273 - Carcinogens
Equilin
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Same as: D04041
4-METHYL-2,4-BIS(4-HYDROXYPHENYL)PENT-1-ENE
RIPAZEPAM
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Kamahine C
Kamahine A is a constituent of honey from Weinmannia racemosa. Found in honey from Kamali (Weinmannia racemosa)
3-carboxy-4-methyl-5-pentyl-2-furanpropanoic acid
3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid is a urofuranic acid. Urofuranic acids are usually derived from furanoic acids, and have two carboxyl groups at the 3- and 4-positions of the furan ring.
Estra-1,3,5,7,9-pentaene-3,17beta-diol
4-Bis(2-hydroxyethyl)amino-L-phenylalanine
C13H20N2O4 (268.14230000000003)
Estrogen
A steroid hormone that stimulates or controls the development and maintenance of female sex characteristics in mammals by binding to oestrogen receptors. The oestrogens are named for their importance in the oestrous cycle. (ChEBI). Estrogen is found in date and apricot. G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CC - Estrogens, combinations with other drugs G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CB - Synthetic estrogens, plain L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02A - Hormones and related agents > L02AA - Estrogens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D009676 - Noxae > D002273 - Carcinogens
Papyracon B
Papyracon C
2-Methyl-6-methoxy-4-phenyl-2,3-dihydro-3,3-dimethylbenzofuran
8a-hydroxy-7-methoxy-3,3,6,8,8-pentamethyl-1,2-benzodioxin-5-one
Salviolone
Salviolone is a natural product found in Salvia miltiorrhiza and Salvia paramiltiorrhiza with data available.
butyl 5-[(1R)-1-hydroxyethyl]-gamma-oxofuran-2-butanoate
(+-)-(2Xi,3aXi)-2-Methoxy-(3ar,7at)-hexahydro-spiro[cyclopropan-1,2-indan]-2r,3c-dicarbonsaeure|(+-)-(2Xi,3aXi)-2-methoxy-(3ar,7at)-hexahydro-spiro[cyclopropane-1,2-indan]-2r,3c-dicarboxylic acid
(1S,2Z,4S)-1-butyl-4-hydroxy-4-[(2S)-5-oxo-2,5-dihydrofuran-2-yl]but-2-en-1-yl acetate|5S-[(4S-acetyloxy)-(1S-hydroxy)-2Z-octenyl]-2(5H)-furanone|pectinolide H
3-hydroxy-5-methoxy-2,4-dimethyl-4-(2-methylbutyryloxy)-2,5-cyclohexadien-1-one
4-acetyl-2-[(1E)-5-hydroxyhex-1-en-1-yl]-5-methoxy-2-methylfuran-3(2H)-one|huaspenone B
5-(5-carboxymethyl-2-oxocyclopentyl)-3-pentenyl acetate
3-hydroxy-5-methoxy-2,6-dimethyl-6-(2-methylbutyryloxy)-2,4-cyclohexadien-1-one
3-hydroxy-13-methyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
Acetic acid 3-(3,4,5-trimethoxyphenyl)propyl ester
Heudelotine
Heudelotine is a natural product found in Jatropha curcas and Ricinodendron heudelotii with data available.
Diethylstilbestrol
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CC - Estrogens, combinations with other drugs G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CB - Synthetic estrogens, plain L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02A - Hormones and related agents > L02AA - Estrogens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D009676 - Noxae > D002273 - Carcinogens CONFIDENCE standard compound; INTERNAL_ID 4237 CONFIDENCE standard compound; INTERNAL_ID 4161
3,6-diphenylcyclohexane-1,2-diol [IIN-based on: CCMSLIB00000845865]
3,6-diphenylcyclohexane-1,2-diol [IIN-based: Match]
Phosphonic acid,P-(3,3-diethoxypropyl)-, diethyl ester
3,6-Bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazine
Phenol,4-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)-
tert-Butyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate
C11H19F3N2O2 (268.13985499999995)
4-(TERT-BUTYL)-2-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
1,3-bis(3-cyanopropyl)tetramethyldisiloxane
C12H24N2OSi2 (268.14270939999994)
Deanol acetamidobenzoate
C13H20N2O4 (268.14230000000003)
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
(1Z,3Z)-1,4-DIIODO-2,3-DIMETHYL-BUTA-1,3-DIENE
C11H19F3N2O2 (268.13985499999995)
N-ETHYL-N-METHYL-3-(PYRROLIDIN-3-YL)BENZAMIDE HYDROCHLORIDE
tert-butyl N-[(5,6-dimethoxypyridin-2-yl)methyl]carbamate
C13H20N2O4 (268.14230000000003)
2-METHYLIDENE-1,4-DIMORPHOLINOBUTANE-1,4-DIONE
C13H20N2O4 (268.14230000000003)
4-(1,1-Difluoroethyl)phenylboronic Acid Pinacol Ester
tert-butyl 1,3-dioxo-2,7-diazaspiro[4.5]decane-7-carboxylate
C13H20N2O4 (268.14230000000003)
1-[4-(3-METHYL-4-ISOPROPYL-PHENOXY)-PHENYL]-ETHANONE
diethyl 1-amino-3-isopropyl-1H-pyrrole-2,4-dicarboxylate
C13H20N2O4 (268.14230000000003)
2-(4-ETHOXY-PHENYL)-6-METHYL-2H-BENZOTRIAZOL-5-YLAMINE
ethyl prop-2-enoate,N-(hydroxymethyl)-2-methylprop-2-enamide,prop-2-enenitrile
C13H20N2O4 (268.14230000000003)
7-(4-METHOXYPHENYL)-5,6-DIMETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE
N-Ethyl-N-methyl-3-(3-pyrrolidinyl)benzamide hydrochloride (1:1)
cis-3-(Boc-aMino)-5-(trifluorMethyl)piperidine
C11H19F3N2O2 (268.13985499999995)
tert-butyl N-[(3R,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate
C11H19F3N2O2 (268.13985499999995)
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-4-carbonitrile
4-[(2S)-2-Methylbutyl]-[1,1-biphenyl]-4-carboxylic acid
1-METHYL-3,4-DIHYDROSPIRO[CHROMENE-2,4-PIPERIDIN]-4-AMINE HYDROCHLORIDE
4-Acetylamino-2-(bis(2-hydroxyethyl)amino)anisole
C13H20N2O4 (268.14230000000003)
1-tert-Butyl 4-methyl 4-cyanopiperidine-1,4-dicarboxylate
C13H20N2O4 (268.14230000000003)
7-Oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-[(4-methyl-1-piperazinyl)carbonyl]-, (1R,4S)-rel-
C13H20N2O4 (268.14230000000003)
D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
Ornithine phenylacetate
C13H20N2O4 (268.14230000000003)
C78275 - Agent Affecting Blood or Body Fluid
5-methyl-N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine
Dihydroxy Melphatalan-d8
C13H20N2O4 (268.14230000000003)
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds
N-(1,8-dimethyl-3-pyrazolo[3,4-b]quinolinyl)propanamide
4,6-dimethyl-N-[(E)-1-phenylethylideneamino]pyrimidine-2-carboxamide
N-(oxolan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine
(9R,13S,14R)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
(R)-2-Methylbutyric acid (S)-1,5-dimethyl-2-oxo-4-methoxy-6-hydroxy-3,5-cyclohexadienyl ester
2-(2-carboxyethyl)-4-methyl-5-pentylfuran-3-carboxylic acid
3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)
Belongs to the class of organic compounds known as furanoid fatty acids. These are fatty acids containing a 5-alkylfuran-2-alkanoic acid
3-carboxy-4-methyl-5-pentyl-2-furanpropanoic acid
Belongs to the class of organic compounds known as furanoid fatty acids. These are fatty acids containing a 5-alkylfuran-2-alkanoic acid.
8a-hydroxy-3,3,6,6,8,8-hexamethyl-1,2-benzodioxine-5,7-dione
(2s,3s)-2-[(1z,3s)-3-hydroxyhept-1-en-1-yl]-6-oxo-2,3-dihydropyran-3-yl acetate
(1s,2s,3r)-3-acetyl-2-(4-carboxy-4-methylbut-3-en-1-yl)-2-methylcyclobutane-1-carboxylic acid
10-hydroxy-4,4,8-trimethyl-1h,2h,3h-cyclohepta[a]naphthalen-9-one
{4-[(2r)-1,2-dihydroxypropan-2-yl]-3-hydroxyphenyl}methyl 2-methylpropanoate
(3r,4as,6r)-6,8-dihydroxy-3-(4-oxopentyl)-3,4,4a,5,6,7-hexahydro-2-benzopyran-1-one
(2s)-4-acetyl-2-[(1e,5s)-5-hydroxyhex-1-en-1-yl]-5-methoxy-2-methylfuran-3-one
4-[4-(4-hydroxyphenyl)-2,3-dimethylbut-1-en-1-yl]phenol
(2z,5e)-5-(1h-indol-3-ylmethylidene)-1,3-dimethyl-2-(methylimino)imidazolidin-4-one
(11s)-5-hydroxy-6,12,12-trimethyltricyclo[9.4.0.0³,⁸]pentadeca-1,3(8),4,6,14-pentaen-9-one
methyl 2-hydroxy-3-[4-hydroxy-2,5-bis(prop-1-en-1-yl)oxolan-3-ylidene]propanoate
methyl (2r)-2-hydroxy-3-[(2r,3e,4s,5s)-4-hydroxy-2,5-bis[(1e)-prop-1-en-1-yl]oxolan-3-ylidene]propanoate
4-[2-(4-hydroxy-2-methyl-5-oxooxolan-2-yl)ethyl]-3-propyl-5h-furan-2-one
7,8-dihydroxy-isobutyryl-thymol
{"Ingredient_id": "HBIN012986","Ingredient_name": "7,8-dihydroxy-isobutyryl-thymol","Alias": "NA","Ingredient_formula": "C14H20O5","Ingredient_Smile": "CC(C)C(=O)OCC(C)(C1=C(C=C(C=C1)CO)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5920","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
[1-(acetyloxy)-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-yl]methyl acetate
4-methoxy-1,3-dimethyl-2,6-dioxocyclohex-3-en-1-yl 2-methylbutanoate
(1r,3s,6r,8e,10s)-6,10-dihydroxy-8-[(2s)-2-hydroxypropylidene]-4,4-dimethyl-5-oxatricyclo[4.4.0.0¹,³]decan-7-one
(3s,5r,6r,6's)-5,6-dihydroxy-6,6'-dimethyl-4,5-dihydro-1h-spiro[cyclopenta[c]pyran-3,2'-oxan]-7-one
methyl (2r,5r,6r)-5-hydroxy-2-[(1s,2e)-1-hydroxybut-2-en-1-yl]-6-[(1e)-prop-1-en-1-yl]-5,6-dihydro-2h-pyran-3-carboxylate
5-(1h-indol-3-ylmethylidene)-1,3-dimethyl-2-(methylimino)imidazolidin-4-one
12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
4-acetyl-2-(5-hydroxyhex-1-en-1-yl)-5-methoxy-2-methylfuran-3-one
[(1r,4ar,7r,7as)-1-(acetyloxy)-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-yl]methyl acetate
4-acetyl-2-[(1e)-5-hydroxyhex-1-en-1-yl]-5-methoxy-2-methylfuran-3-one
(1s,3r,6s,8e,10s)-6,10-dihydroxy-8-[(2s)-2-hydroxypropylidene]-4,4-dimethyl-5-oxatricyclo[4.4.0.0¹,³]decan-7-one
4-methoxy-5-(3-methylbut-2-en-1-yl)-[1,1'-biphenyl]-3-ol
1-(3-hydroxy-8,8-dimethyl-6,7-dihydro-5h-phenanthren-2-yl)ethanone
(3e,5e)-trideca-3,5-dien-7,9,11-triyn-1-yl 3-methylbutanoate
(3s,6s,6's,7r)-6,7-dihydroxy-6,6'-dimethyl-4,7-dihydro-1h-spiro[cyclopenta[c]pyran-3,2'-oxan]-5-one
(8as)-8a-hydroxy-7-methoxy-3,3,6,8,8-pentamethyl-1,2-benzodioxin-5-one
(4s,6s)-6-[(1s,2e,4e)-1,6-dihydroxyhexa-2,4-dien-1-yl]-3,4-dihydroxy-2,4-dimethylcyclohex-2-en-1-one
4-{2-[(2r,4r)-4-hydroxy-2-methyl-5-oxooxolan-2-yl]ethyl}-3-propyl-5h-furan-2-one
butyl 4-{5-[(1r)-1-hydroxyethyl]furan-2-yl}-4-oxobutanoate
4-methoxy-1,5-dimethyl-2,6-dioxocyclohex-3-en-1-yl 2-methylbutanoate
6,7-dihydroxy-6,6'-dimethyl-4,7-dihydro-1h-spiro[cyclopenta[c]pyran-3,2'-oxan]-5-one
(3z,6r,9z,12s)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
(2s,3r,4r,5r,6r)-2-methyl-6-(2-phenylethoxy)oxane-3,4,5-triol
(3r)-2-{3-methoxy-2,6-dimethyl-7ah-furo[2,3-b]pyran-4-yl}butane-2,3-diol
(3z,11z)-2,13-dihydroxy-7-methyl-6,15-dioxabicyclo[12.1.0]pentadeca-3,11-dien-5-one
[4-(1,2-dihydroxypropan-2-yl)-3-hydroxyphenyl]methyl 2-methylpropanoate
(5r,6r,7r,8s)-8-ethyl-5,6,7-trihydroxy-2,3,8-trimethyl-6,7-dihydro-5h-chromen-4-one
(8ar)-8a-hydroxy-3,3,6,6,8,8-hexamethyl-1,2-benzodioxine-5,7-dione
8-ethyl-5,6,7-trihydroxy-2,3,8-trimethyl-6,7-dihydro-5h-chromen-4-one
8-(4-hydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
5,6-dihydroxy-6,6'-dimethyl-4,5-dihydro-1h-spiro[cyclopenta[c]pyran-3,2'-oxan]-7-one
7-hexyl-4-methoxy-4ah,7h,7ah-furo[3,4-b]pyran-2,5-dione
(1s,2z,4s)-1-hydroxy-1-[(2s)-5-oxo-2h-furan-2-yl]oct-2-en-4-yl acetate
butyl 4-[5-(1-hydroxyethyl)furan-2-yl]-4-oxobutanoate
3-[(3s,5s)-3,5-dihydroxyhexanimidoyl]-5-(propan-2-ylidene)pyrrole-2,4-diol
C13H20N2O4 (268.14230000000003)
(2s)-4-acetyl-2-[(5s)-5-hydroxyhex-1-en-1-yl]-5-methoxy-2-methylfuran-3-one
6,7-dihydroxy-6-methyl-2-(2-methylpropanoyl)-4,5,7,7a-tetrahydro-3ah-1-benzofuran-3-carbaldehyde
[(1s,4as,7s,7ar)-1-(acetyloxy)-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-yl]methyl acetate
(1r)-4-methoxy-1,5-dimethyl-2,6-dioxocyclohex-3-en-1-yl 2-methylbutanoate
(3z,6r,9z,11r,13r)-11-(hydroxymethyl)-6,13-dimethyl-1,7-dioxacyclotrideca-3,9-diene-2,8-dione
(1r)-4-methoxy-1,3-dimethyl-2,6-dioxocyclohex-3-en-1-yl (2r)-2-methylbutanoate
1-hydroxy-1-(5-oxo-2h-furan-2-yl)oct-2-en-4-yl acetate
(6r,7s,8s)-8-(4-hydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
5-methoxy-4-(3-methylbut-2-en-1-yl)-[1,1'-biphenyl]-3-ol
6-(1,6-dihydroxyhexa-2,4-dien-1-yl)-3,4-dihydroxy-2,4-dimethylcyclohex-2-en-1-one
3-(3,5-dihydroxyhexanimidoyl)-5-(propan-2-ylidene)pyrrole-2,4-diol
C13H20N2O4 (268.14230000000003)
(3s,6s,6's,7s)-6,7-dihydroxy-6,6'-dimethyl-4,7-dihydro-1h-spiro[cyclopenta[c]pyran-3,2'-oxan]-5-one
(8s)-14-hydroxy-7,7,13-trimethyltricyclo[9.4.0.0³,⁸]pentadeca-1(11),2,4,12,14-pentaen-6-one
(2r)-2,3-dihydroxy-2-(2-hydroxy-4-methylphenyl)propyl 2-methylpropanoate
(1r)-4-methoxy-1,3-dimethyl-2,6-dioxocyclohex-3-en-1-yl 2-methylbutanoate
(8as)-8a-hydroxy-3,3,6,6,8,8-hexamethyl-1,2-benzodioxine-5,7-dione
5,5'-dihydroxy-4,4',8,8-tetramethyl-7-oxaspiro[bicyclo[3.2.1]octane-6,2'-oxolan]-3-en-2-one
n-[(3s,9z)-8-hydroxy-10-methyl-2-oxo-1-oxa-7-azacyclododeca-7,9-dien-3-yl]ethanimidic acid
C13H20N2O4 (268.14230000000003)