Exact Mass: 268.2017096
Exact Mass Matches: 268.2017096
Found 485 metabolites which its exact mass value is equals to given mass value 268.2017096,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Michlers ketone
INTERNAL_ID 250; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9520; ORIGINAL_PRECURSOR_SCAN_NO 9519 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9492; ORIGINAL_PRECURSOR_SCAN_NO 9487 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9500; ORIGINAL_PRECURSOR_SCAN_NO 9498 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9534; ORIGINAL_PRECURSOR_SCAN_NO 9532 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9547; ORIGINAL_PRECURSOR_SCAN_NO 9546 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9470; ORIGINAL_PRECURSOR_SCAN_NO 9468 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9520; ORIGINAL_PRECURSOR_SCAN_NO 9519 CONFIDENCE standard compound; INTERNAL_ID 2291 CONFIDENCE standard compound; INTERNAL_ID 8123 CONFIDENCE standard compound; INTERNAL_ID 4144
Histidylleucine
C12H20N4O3 (268.15353300000004)
Histidylleucine is a dipeptide composed of histidine and leucine. 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.
N-(p-Hydroxyphenethyl)actinidine
N-(p-Hydroxyphenethyl)actinidine is found in fats and oils. Quaternary alkaloid from the roots of Valeriana officinalis (valerian
Cyclohexaneundecanoic acid
Cyclohexaneundecanoic acid is found in fats and oils. Cyclohexaneundecanoic acid is a minor constituent of butterfat and sheep perinephric fa Minor constituent of butterfat and sheep perinephric fat. Cyclohexaneundecanoic acid is found in milk and milk products and fats and oils.
9E-Heptadecenoic acid
9E-Heptadecenoic acid belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. 9E-Heptadecenoic acid is considered to be practically insoluble (in water) and relatively neutral. It has been detected in saliva. 9E-Heptadecenoic acid is found in fats and oils. It is a minor constituent of several animal and vegetable fats. Minor constituent of several animal and vegetable fats. (Z)-9-Heptadecenoic acid is found in fats and oils and italian sweet red pepper.
10-heptadecenoate (17:1n7)
10Z-Heptadecenoic acid is a monounsaturated fatty acid with an unsaturated double bond at the 10th carbon. Heptadecanoic acid, or margaric acid, is a saturated fatty acid. Its molecular formula is CH3(CH2)15COOH. It occurs as a trace component of the fat and milkfat of ruminants, but it does not occur in any natural animal or vegetable fat at concentrations over half a percent. Salts and esters of heptadecanoic acid are called heptadecanoates.
Acoric acid
Acoric acid is found in herbs and spices. Acoric acid is a constituent of Acorus calamus (sweet flag) Felypressin is a synthetic analog of lypressin or vasopressin with more vasoconstrictor activity than antidiuretic action. It is used primarily as a hemostatic. Felypressin is a non-catecholamine vasoconstrictor that is chemically related to vasopressin, the posterior pituitary hormone. Constituent of Acorus calamus (sweet flag) [DFC]. Acoric acid is found in herbs and spices and root vegetables. D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents > D014667 - Vasopressins D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
anhydroretinol
anhydroretinol, also known as Anhydrovitamin a, is classified as a member of the Sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids all-trans-Anhydro Retinol (Anhydrovitamin A) is a metabolite of Vitamin A. all-trans-Anhydro Retinol is used in synthetic multivitamin preparations[1].
7-Hexadecenoic acid, methyl ester
7-Hexadecenoic acid, methyl ester belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR, where R=fatty aliphatic tail or organyl group and R=methyl group.
4,11,13,15-Tetrahydroridentin B
Constituent of Taraxacum officinale (dandelion). 4,11,13,15-Tetrahydroridentin B is found in many foods, some of which are alcoholic beverages, beverages, coffee and coffee products, and dandelion. 4,11,13,15-Tetrahydroridentin B is found in alcoholic beverages. 4,11,13,15-Tetrahydroridentin B is a constituent of Taraxacum officinale (dandelion)
3,11,12-Trihydroxy-1(10)-spirovetiven-2-one
3,11,12-Trihydroxy-1(10)-spirovetiven-2-one is found in alcoholic beverages. 3,11,12-Trihydroxy-1(10)-spirovetiven-2-one is a constituent of potato tubers infected with Phoma exigua. Constituent of potato tubers infected with Phoma exigua. 3,11,12-Trihydroxy-1(10)-spirovetiven-2-one is found in alcoholic beverages and potato.
Bisacurone epoxide
Constituent of Curcuma xanthorrhiza (Java turmeric). Bisacurone epoxide is found in herbs and spices, beverages, and root vegetables. Bisacurone epoxide is found in beverages. Bisacurone epoxide is a constituent of Curcuma xanthorrhiza (Java turmeric).
Deoxydihydro-artemisinin
Deoxydihydro-artemisinin is a metabolite of artemisinin. Artemisinin, also known as Qinghaosu, and its derivatives are a group of drugs that possess the most rapid action of all current drugs against Plasmodium falciparum malaria. Treatments containing an artemisinin derivative (artemisinin-combination therapies, ACTs) are now standard treatment worldwide for P. falciparum malaria. The starting compound artemisinin is isolated from the plant Artemisia annua, sweet wormwood, an herb employed in Chinese traditional medicine. (Wikipedia)
1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone
1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone is found in potato. 1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone is a stress metabolite from Ipomoea batatas (sweet potato). Stress metabolite from Ipomoea batatas (sweet potato). 1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone is found in root vegetables and potato.
2,4-Heptadecanedione
2,4-Heptadecanedione is found in herbs and spices. 2,4-Heptadecanedione is a constituent of Ruta graveolens (rue). Constituent of Ruta graveolens (rue). 2,4-Heptadecanedione is found in herbs and spices.
Prostaglandin lactone-diol
Prostaglandin lactone-diol is a chiral intermediate used to prepare prostaglandins (PGs) and PG analogs.
Isoleucyl-Histidine
C12H20N4O3 (268.15353300000004)
Isoleucyl-Histidine is a dipeptide composed of isoleucine and histidine. 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.
Histidylisoleucine
C12H20N4O3 (268.15353300000004)
Histidylisoleucine is a dipeptide composed of histidine and isoleucine. 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.
Leucyl-Histidine
C12H20N4O3 (268.15353300000004)
Leucyl-Histidine is a dipeptide composed of leucine and histidine. 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.
Hesperaline
Hesperaline is found in brassicas. Hesperaline is an alkaloid from seeds of damask violet (Hesperis matronalis Cruciferae
9Z-Heptadecenoic acid
9Z-Heptadecenoic acid, also known as margaroleic acid, belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. 9Z-Heptadecenoic acid is considered to be practically insoluble (in water) and relatively neutral.
N-(1,3-Dimethylbutyl)-N'-phenyl-p-phenylenediamine
Heptadec-2-enoic acid
Heptadecenoic acid, also known as heptadecenoate, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Heptadecenoic acid is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Heptadecenoic acid can be found in a number of food items such as common buckwheat, dandelion, italian sweet red pepper, and black walnut, which makes heptadecenoic acid a potential biomarker for the consumption of these food products.
Histidinyl-Leucine
C12H20N4O3 (268.15353300000004)
[(2S)-2-Amino-3-(1H-imidazol-5-yl)propanoyl] (2S,3S)-2-amino-3-methylpentanoate
C12H20N4O3 (268.15353300000004)
[4]-Gingerdiol
[4]-gingerdiol is a member of the class of compounds known as gingerdiols. Gingerdiols are compounds containing a gingerdiol moiety, which is structurally characterized by a 4-hydroxy-3-methoxyphenyl group substituted at the C6 carbon atom by an alkane-2,4-diol. [4]-gingerdiol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). [4]-gingerdiol can be found in ginger, which makes [4]-gingerdiol a potential biomarker for the consumption of this food product.
[3S-(3alpha,3aalpha,5abeta,6beta,9alpha,9aalpha,9bbeta)]-Decahydro-6,9-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
4-(3-Hydroxy-1,5-dimethylhexyl)cyclohexene-1-carboxylic acid methyl ester
2-Hydroperoxy-10-hydroxy-2,6,10-trimethyl-3,6,11-dodecatrien-5-one
Trichotriol
Naphtho[1,2-c]furan-1,5,9b(1H)-triol,3,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethyl-, (1R,5R,5aS,9aS,9bS)-
Arteincultone
Plucheinol
(2beta,5alpha,8beta,10alpha)-9(12)-Capnellene-2,5,8,10-tetrol
2a,7a-Dihydroxy-3,6,7b-trimethyl-6-(hydroxymethyl)-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]indene-4(3H)-one
(3beta,8beta,10alpha)-9(12)-Capnellene-3,8,10,14-tetrol
Arbusculin E
Dendroserin
2,3-Dicyanospiro[cyclohexane-1,5-cyclohexano[1,2-e]diazepine]
Ramacemide
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002491 - Central Nervous System Agents > D000927 - Anticonvulsants C78272 - Agent Affecting Nervous System D020011 - Protective Agents
1beta,5alpha-dihydroxy-4alpha,11alphaH-eudesma-12,8beta-olide
(3R*,3aS*,4aS*,5R*,7aS*,8R*,9aS*)-decahydro-5,8-dihydroxy-3,5,8-trimethylazuleno[6,5-b]furan-2(3H)-one|4beta,10beta-dihydroxy-1alphaH,5alphaH,11alphaH-guaian-12,8beta-olide
Cyclohexanecarboxylic acid, 4-(1,5-dimethyl-3-oxohexyl)-, methyl ester, cis-
3,4-dihydroxy-5-(1-hydroxy-1,5-dimethyl-4-hexenyl)-2-methylenecyclohexanone|antheminone C
mitissimolone|rel-(2R,3aS,4R,6S,8R,8aS)-2,8-dihydroxy-3a,6-dimethyl-4-(2-methylprop-1-en-1-yl)octahydro-5H-cyclohepta[b]furan-5-one
peroxylippidulcine C|rel-(6S,1S,4S)-6-(1-hydroxy-4-hydroperoxy-1,5-dimethyl-5-hexenyl)-3-methyl-2-cyclohexenone
2-[(1R*,4R*,4aR*,6S*,8aR*)-1,2,3,4,4a,5,6,8a-octahydro-4,6-dihydroxy-4,7-dimethylnaphthalen-1-yl]propanoic acid|2beta,9alpha-dihydroxycadin-3(4)-en-12-acid|indicumolide C
4-hydroxy-5-(1-hydroxy-1,5-dimethyl-4-hexenyl)-2-(hydroxymethyl)-2-cyclohexen-1-one|antheminone A
4-ethyl-3-oxo-hexyl-(4-ethyl hex-3-enoate)|4-ethyl-3-oxo-hexyl-<4-ethyl hex-3-enoate>
3alpha,4beta-dihydroxy-5betaH,11alphaH-eudesman-6,12-olide|3??,4??-Dihydroxy-5??H,11??H-eudesman-6,12-olide
Dihydro-5-(5-hydroxy-6-dodecenyl)-2(3H)-furanone|piliferolide B
N-methyl-2-(methylamino)-N-(2-phenylethyl)benzamide
(1S,9S)-2alpha,3beta,6alpha-trihydroxy-4alpha,11,11,8beta-tetramethyltricyclo[5.4.0.02,5]undecan-7-one|fascicularone C
1-oxo-2beta-[3-butanone]-3alpha-methyl-6beta-[2-propanol formyl ester]-cyclohexane|1-Oxo-2??-[3-butanone]-3??-methyl-6??-[2-propanol formyl ester]-cyclohexane|2-<1-(formyloxy)prop-2-yl>-5-methyl-6-(3-oxobutyl)cyclohexanone
pyxidatol B|rel-(1R,2S,2aR,4aR,6S,7aR,7bS)-2,2a,4a,5,6,7,7a,7b-octahydro-3,6-bis(hydroxymethyl)-6,7b-dimethyl-1H-cyclobut[e]indene-1,2-diol
(6S,1S)-6-(1-hydroxy-5-hydroperoxy-1,5-dimethyl-3-hexenyl)-3-methyl-2-cyclohexenone|peroxylippidulcine A
(2E)-4-oxohexadec-2-enoic acid|(E)-4-oxohexadec-2-enoic acid
(1S,4R,5S,7R,10R)-1,5-epidioxy-4-hydroperoxycarot-2-ene|(5alpha,8alpha,9alpha)-form-5,9-Epidioxy-8-hydroperoxy-6-daucene|1,5-epidioxy-4-hydroperoxycarot-2-ene
(E)-4beta-methoxygermacra-5,10(14)-diene-1alpha,8alpha-diol
(1beta,7beta,8beta,10beta)-1,8,11-trihydroxy-4-guaien-3-one|(1beta,7beta,8beta,10beta)-1,8,11-trihydroxyguai-4-en-3-one|1beta-hydroxytorilolone|2-(5S,6R,8S,8aS)-4,5,6,7,8,8a-hexahydroazulen-6,8a-dihydroxy-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-2(1H)-one
1b-Ethyl-1a,1b,3,4,8c,9,10,10a-octahydro-2H-oxireno(4,5-b(pyrido(3,2-c(carbazole
4alpha,5alpha-epoxy-6alpha-hydroxy amorphan-12-oic acid|4alpha,5alpha-epoxy-6alpha-hydroxyamorphan-12-oic acid|4??,5??-Epoxy-6??-hydroxy amorphan-12-oic acid
(9E)-4-oxo-7-hydroxy-11-hydroperoxy-bisabola-2,9-diene
3-Methyl-4-hydroxy-6-(1,5-dimethyl-4-hydroperoxy-5-hexenyl)-2-cyclohexene-1-one
(5S,5aR,7S,8aS)-hexahydro-7-(hydroxymethyl)-1,7-dimethyl-1H-spiro[cyclopropane-1,9-[2]oxa[1,4]methanocyclopenta[c]oxepine]-4,5(3H)-diol|dichomilludol
(2S,4S,4aR,6R,7aS,7bR)-2,4,4a,5,6,7,7a,7b-octahydro-3,6-bis(hydroxymethyl)-6,7b-dimethyl-1H-cyclobuta[e]indene-2,4-diol|5-hydroxydichomitol|protoillud-6-ene-5alpha,8beta,13,15-tetrol
(+)-1-acetyl-2,3,6-triisopropyltetrahydropyrimidin-4(1H)-one
5alpha,8alpha-epoxy-4alpha,6beta-dihydroxyamorphan-2-one
1-methylene-8,16-dihydro-dasycarpidane|12-ethyl-2-methyl-6-methylene-2,3,4,5,6,6a,7,11b-octahydro-1H-2,6-methano-azocino[4,3-b]indole|3-Epiuleine|Uleine
1beta,4beta,5beta-trihydroxy-7(11),9-germacradien-8-one|heyneanone A
1S-(2R-hydroxymethylacetoxy)-4R, 8S-dimethylspiro[4.5]dec-7-one
4,5-dihydro-5-(hydroxymethyl)-5-[(1E)-3-(1-methylethyl)-6-oxohept-1-en-1-yl]furan-2(3H)-one
holostylactone|rel-(5S,8R)-5,9,9-trimethyl-8-(3-oxobutyl)oxonane-2,6-dione
1-hydroxy-1-(1-oxo-3-methylbutyl)-2-acetoxy-3,5,5-trimethyl-3-cyclopentene
17-nor-curane|4-ethyl-1,2,3a,4,5,6,6a,7-octahydro-3,5-ethano-pyrrolo[2,3-d]carbazole|Tubifolidin|tubifolidine
5alpha,6alpha-dihydroxy-4alphaH,11alphaH-eudesma-12,8beta-olide
3(xi)-hydroxy-hydroxyhexadeca-4(E),6(Z)-dienoic acid|3(zeta)-hydroxy-hexadeca-4(E),6(Z)-dienoic acid
(7E)-9-ketohexadec-7-enoic acid|7(E)-9-keto-hexadec-7-enoic acid
(3R,5R,6S,7S,10R)-2,6,10-Trimethyl-3,5-dioxy-7,10-epoxydodeca-1,11-dien-5-ol
(1R,2R,4aS,5R)-decahydro-5-(2-hydroxyethyl)-1-(hydroxymethyl)-1,4a-dimethyl-6-methylidenenaphthalen-2-ol|13,14,15,16-tetranor-ent-labda-8(17)-ene-3,12,19-triol
(4beta,6alpha,8alpha,11betaH)-4,6-Dihydroxy-12,8-eudesmanolide
(2R,4S,5E,7S)-2-Hydroxy-7-isopropyl-4-methyl-10-oxo-5-undecen-4-olide
3-[1-[(5-Ethenyl-5-methyltetrahydrofuran)-2-yl]ethyl]-6,6-dimethyl-3,6-dihydro-1,2-dioxin-3-ol
5beta-hydroxy-4,9-oxidogermacr-11alpha-H,13-6,12-olide
(1R,2S,6R,7S,10S)-1,2,6-trihydroxyeudesma-4-en-3-one
2-Me ether-(6E,8S*,9E,10R*)-2,6,10-Trimethyl-3,6,11-dodecatriene-2,8,10-triol
1alpha-aldehyde-2beta-[3-butanone]-3alpha-methyl-6beta-[2-propanoic acid]-cyclohexane|1??-Aldehyde-2??-[3-butanone]-3??-methyl-6??-[2-propanoic acid]-cyclohexane
1beta,10alpha-dihydroxy-11betaH-eremophylan-12,8beta-olide
(2-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl)acetic acid
ent-Corey PG-Lactone Diol
11-methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid
SFE 17:1
Methyl palmitoleate is a fatty acid methyl ester obtained from the formal condensation of methanol and palmitoleic acid. It is functionally related to a palmitoleic acid. Methyl palmitoleate is a natural product found in Andrographis paniculata, Ostrinia nubilalis, and other organisms with data available. Methyl palmitoleate ((Z)-Methyl hexadec-9-enoate), a fatty acid methyl ester, is an analogue of Palmitoleate with cytoprotective and growth-promoting properties[1]. Methyl palmitoleate ((Z)-Methyl hexadec-9-enoate), a fatty acid methyl ester, is an analogue of Palmitoleate with cytoprotective and growth-promoting properties[1].
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid
4,7-dihydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one
3-(6-hydroxy-7-methyloctyl)-3,6-dihydro-1H-furo[3,4-c]furan-4-one
NPE_269.1647_12.5
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1105
C15H24O4_2-(4,8-Dihydroxy-4a,8-dimethyldecahydro-2-naphthalenyl)acrylic acid
C15H24O4_2-[(4aS,7R,8R)-7,8-Dihydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]acrylic acid
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid
4,6-dihydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one
1,3-diethyldiphenylurea
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1062
8-Hydroxy-13,14,15,16-tetranor-12-labdanoic acid
Origin: Plant; SubCategory_DNP: Diterpenoids, Labdane diterpenoids
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid [IIN-based: Match]
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid [IIN-based on: CCMSLIB00000846465]
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid_major
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid_minor
Corey PG-lactone diol
His-ile
C12H20N4O3 (268.15353300000004)
His-leu
C12H20N4O3 (268.15353300000004)
A dipeptide formed from L-histidine and L-leucine residues.
Ile-his
C12H20N4O3 (268.15353300000004)
A dipeptide composed of L-isoleucine and L-histidine joined by a peptide linkage.
Leu-his
C12H20N4O3 (268.15353300000004)
A dipeptide formed from L-leucine and L-histidine residues.
N-(p-Hydroxyphenethyl)actinidine
4,11,13,15-Tetrahydroridentin B
3,11,12-Trihydroxy-1(10)-spirovetiven-2-one
Bisacurone epoxide
Ustusol A
1-Propene,3,3,3,3-[1,3-propanediylidenetetrakis(oxy)]tetrakis- (9CI)
tert-Butyl 2-oxo-1,9-diazaspiro[5.5]undecane-9-carboxylate
C14H24N2O3 (268.17868339999995)
TRANS-2,3-DIFLUORO-1-METHOXY-4-(4-PROPYL-CYCLOHEXYL)-BENZENE
1-ethoxy-4-(4-ethylcyclohexyl)-2,3-difluorobenzene
tert-Butyl (1-(cyclopropanecarbonyl)piperidin-4-yl)carbamate
C14H24N2O3 (268.17868339999995)
TERT-BUTYL 1,8-DIAZASPIRO[5.6]DODECANE-1-CARBOXYLATE
2-Methyl-2-propanyl (2S)-2-(1-pyrrolidinylcarbonyl)-1-pyrrolidine carboxylate
C14H24N2O3 (268.17868339999995)
1,4-Dioxaspiro[4.5]decane-8-boronic acid pinacol ester
C14H25BO4 (268.18458000000004)
TERT-BUTOXYCARBONYLAMINO-(4-TERT-BUTOXYCARBONYLAMINO-PHENYL)-ACETICACID
Benzenamine,4,4-(1,2-diazenediyl)bis[N,N-dimethyl-
6,10,16,19-tetraoxatrispiro[4.2.2.411.28.25]nonadecane
(1-(3-phenylpyrazin-2-yl)piperidin-4-yl)methanamine
2-Methyl-2-propanyl 2-methyl-1-oxo-2,7-diazaspiro[4.5]decane-7-ca rboxylate
C14H24N2O3 (268.17868339999995)
(4-Pentyl-4-biphenylyl)boronic acid
C17H21BO2 (268.16345160000003)
2-Methylnaphthalene-1-boronic Acid Pinacol Ester
C17H21BO2 (268.16345160000003)
2,5,11,14-tetraoxa-8-azoniabicyclo[13.4.0]nonadeca-1(19),15,17-triene
tert-butyl 4-(cyclopropylcarbamoyl)piperidine-1-carboxylate
C14H24N2O3 (268.17868339999995)
1-Hexyl-2,3-Dimethylimidazolium Tetrafluoroborate
C11H21BF4N2 (268.17338240000004)
1,3-di-tert-Butylimidazolium tetrafluoroborate
C11H21BF4N2 (268.17338240000004)
Ciclopirox Olamine
C14H24N2O3 (268.17868339999995)
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
5-(4-aminophenyl)-N-cyclopentyl-2-methylpyrimidin-4-amine
4-[(4-ethoxyphenyl)iminomethyl]-N,N-dimethylaniline
1-(2-BENZO[1,3]DIOXOL-5-YL-IMIDAZO[1,2-A]PYRIDIN-3-YLMETHYL)-PIPERIDINE-4-CARBOXYLICACID
4,4,5,5-Tetramethyl-2-(naphthalen-1-ylmethyl)-1,3,2-dioxaborolane
C17H21BO2 (268.16345160000003)
4,4,5,5-Tetramethyl-2-(naphthalen-2-ylmethyl)-1,3,2-dioxaborolane
C17H21BO2 (268.16345160000003)
4,4,5,5-TETRAMETHYL-2-(3-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)PROP-1-EN-1-YL)-1,3,2-DIOXABOROLANE
C14H25BO4 (268.18458000000004)
2,8-Diazaspiro[4.5]decane-8-carboxylic acid, 2-methyl-, 1,1-dimethylethyl ester
8-Boc-2,8-DIAZA-SPIRO[5.5]UNDECAN-1-ONE
C14H24N2O3 (268.17868339999995)
3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 8-oxo-, 1,1-dimethylethyl ester
C14H24N2O3 (268.17868339999995)
3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 9-methyl-, 1,1-dimethylethyl ester
N-(4-(DIMETHYLAMINO)BENZYL)-4-ISOPROPYLBENZENAMINE
N-[1-(4,4-dimethyl-2-propan-2-yl-1,3-oxazolidin-3-yl)-2-methylpropan-2-yl]-2-methylpropan-1-imine
poly(1-vinylpyrrolidone-co-2-dimethylaminoethyl methacrylate)
C14H24N2O3 (268.17868339999995)
2-Boc-2,9-DIAZASPIRO[5.5]UNDECAN-1-ONE
C14H24N2O3 (268.17868339999995)
(2E,4E,7S)-11-Methoxy-3,7,11-trimethyl-2,4-dodecadienoic acid
AI3-36450
Methyl palmitoleate ((Z)-Methyl hexadec-9-enoate), a fatty acid methyl ester, is an analogue of Palmitoleate with cytoprotective and growth-promoting properties[1]. Methyl palmitoleate ((Z)-Methyl hexadec-9-enoate), a fatty acid methyl ester, is an analogue of Palmitoleate with cytoprotective and growth-promoting properties[1].
N-Methyl-N-[3-phenyl-3-(2-pyridinyl)propyl]acetamide
2-(7,8-Dihydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoic acid
4,7-Dihydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one
2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoic acid
C12H20N4O3 (268.15353300000004)
cis-8-Heptadecenoic acid
A heptadecenoic acid in which the double bond is located at the 8-9 position and has Z configuration.
(2S)-2-[[(2S,3S)-2-azaniumyl-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoate
C12H20N4O3 (268.15353300000004)
2-[(2R,3R,4aR)-3,8-dihydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
(2R)-2-[(1S,4R,4aS)-7-hydroperoxy-4,7-dimethyl-2,3,4,4a,5,6-hexahydro-1H-naphthalen-1-yl]propanoic acid
(3aR,4R,5R,6aS)-5-Hydroxy-4-((S,E)-3-hydroxyoct-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-2-one
[(2S)-2-Amino-3-(1H-imidazol-5-yl)propanoyl] (2S,3S)-2-amino-3-methylpentanoate
C12H20N4O3 (268.15353300000004)
(2E,4E)-11-Methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid
N-butylharmine
A member of the class of beta-carbolines that is 9H-beta-carboline substituted by a butyl group at position 9, methoxy group at position 7 and a methyl group at position 1. It is semisynthetic derivative of harmine and has been shown to exhibit significant anti-HIV activity.
2-tert-butyl-N-(phenylmethyl)-4-pyridinecarboxamide
(2S,3S,4S)-4-(hydroxymethyl)-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]cyclohexanone
6-Cyclohexyl-4-methyl-1-oxidopyridin-2-one;2-hydroxyethylazanium
C14H24N2O3 (268.17868339999995)
(2R,3R,4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile
[(2S,3S,6S)-3-amino-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-2-oxanyl]methanol
C13H24N4O2 (268.18991639999996)
(2S,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
3-(6-hydroxy-7-methyloctyl)-3,6-dihydro-1H-furo[3,4-c]furan-4-one
[(2S,3S,6R)-3-amino-6-[2-(4-propan-2-yl-1-triazolyl)ethyl]-2-oxanyl]methanol
C13H24N4O2 (268.18991639999996)
(E,2R,3R)-2-ethyl-8-(2-ethylcyclopropyl)-3-hydroxy-5-methyloct-6-enoic acid
4,4-Pentamethylene-2,2-dimethyl-1,2,3,4-tetrahydro-gamma-carboline
5,6-Dihydro-6-hydroxymethyl-3-methyl-6-nonyl-2H-pyran-2-one
5-Methyl-1-nonyl-6,8-dioxabicyclo(3.2.1)octan-3-one
3-(Ethoxycarbonyl)-6-isopropyloctahydro-2H-cyclohepta[b]furan-2-one
Anhydrovitamin a
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids all-trans-Anhydro Retinol (Anhydrovitamin A) is a metabolite of Vitamin A. all-trans-Anhydro Retinol is used in synthetic multivitamin preparations[1].
His-Leu zwitterion
C12H20N4O3 (268.15353300000004)
A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of His-Leu. Major species at pH 7.3.
(9Z)-heptadecenoic acid
A heptadecenoic acid in which the double bond is located at the 9-10 position and has Z configuration.
methyl (Z)-7-hexadecenoate
A fatty acid methyl ester resulting from the formal condensation of the carboxy group of (Z)-hexadec-7-enoic acid with methanol.
10-Heptadecenoic acid
A heptadecenoic acid having its double bond in the 10-position.