Exact Mass: 194.1306728
Exact Mass Matches: 194.1306728
Found 500 metabolites which its exact mass value is equals to given mass value 194.1306728,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Neocnidolide
Neocnidolide, also known as neocnidilide, cis-(-)-isomer or sedanolide, is a member of the class of compounds known as isobenzofurans. Isobenzofurans are organic aromatic compounds containing an isobenzofuran moiety. Neocnidolide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Neocnidolide can be found in dill, which makes neocnidolide a potential biomarker for the consumption of this food product. Neocnidilide is a gamma-lactone. Neocnidilide is a natural product found in Petroselinum crispum and Apium graveolens with data available.
6-Hydroxypseudooxynicotine
6-Hydroxypseudooxynicotine is a member of the class of compounds known as aryl alkyl ketones. Aryl alkyl ketones are ketones that have the generic structure RC(=O)R, where R = aryl group and R = alkyl group.
Cnidilide
Cnidilide is a member of the class of compounds known as isobenzofurans. Isobenzofurans are organic aromatic compounds containing an isobenzofuran moiety. Cnidilide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cnidilide can be found in wild celery, which makes cnidilide a potential biomarker for the consumption of this food product.
Neocnidilide
Sedanolide is a member of 2-benzofurans. Sedanolide is a natural product found in Ligusticum striatum, Angelica sinensis, and other organisms with data available. Constituent of celery oil. Neocnidilide is found in many foods, some of which are dill, coriander, wild celery, and green vegetables. Neocnidilide is found in coriander. Neocnidilide is a constituent of celery oil Sedanolide, a natural compound occurring in edible umbelliferous plants, possesses anti-inflammatory and antioxidant activities[1][2]. Sedanolide, a natural compound occurring in edible umbelliferous plants, possesses anti-inflammatory and antioxidant activities[1][2].
Hexylresorcinol
Hexylresorcinol, also known as adrover or antascarin, belongs to the class of organic compounds known as resorcinols. Resorcinols are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3. The agent also demonstrates mild antiseptic activity as well as an apparent anti-inflammatory, demulcent action . Moreover, such studies have also shown that hexylresorcinol is seemingly capable of dose-dependent induction of SCC-9 cell apoptosis as well as the inhibition of transglutaminase-2 enzyme activity which can facilitate chemotherapy resistance . Hexylresorcinol is a potentially toxic compound. Hexylresorcinol belongs to the family of Resorcinols. Regarding the metabolism of hexylresorcinol, it has been reported that excretion of the compound in the urine is largely in the form of an ethereal sulfate conjugate. Ultimately, it is also reported that glutathione depletion increases tyrosinase activity in human melanoma cells, which makes hexylresorcinols effects on tyrosinase desirable . Nevertheless, it is useful for hexylresorcinol to have both anesthetic and certain antiseptic actions for its use in treating various relatively self-limiting scrapes and sore throats that are treated by the over-the-counter products that feature the compound. It is proposed that hexylresorcinol can bind to tyrosinase directly and inhibits its enzyme activity . It can be found in topical applications for minor skin infections and in oral solutions or throat lozenges for pain relief and first aid antiseptic. R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations > R02AA - Antiseptics D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
(S,Z)-Lyratol acetate
(S,Z)-Lyratol acetate is a constituent of Artemisia vulgaris (mugwort) Constituent of Artemisia vulgaris (mugwort).
Carvyl acetate
Flavouring ingredient. Carvyl acetate is found in wild celery, caraway, and peppermint. Carvyl acetate is found in caraway. Carvyl acetate is a flavouring ingredient.
Laccarin
Laccarin is found in mushrooms. Laccarin is an alkaloid from fruit bodies of the mushroom Laccaria vinaceoavellanea. Alkaloid from fruit bodies of the mushroom Laccaria vinaceoavellanea. Laccarin is found in mushrooms.
Tetraethylene glycol
Tetraethylene glycol, also known as 2,2’-[oxybis(2,1-ethanediyloxy)]bisethanol or 3,6,9-trioxaundecan-1,11-diol, is classified as a member of the polyethylene glycols. It is an industrial solvent/chemical with a higher boiling point and lower volatility than the lower ethylene glycols. It is especially useful in polyester resins and as a plasticizer. Tetraethylene glycol is also used as a chemical intermediate and as a solvent in the production of inks and dyes. It is often used as a process solvent in hydrocarbon purification processes and as a coupling agent in the production of textile lubricants and formulations. Tetraethylene glycol is a non-carcinogenic (not listed by IARC) potentially toxic compound. (ChemoSummarizer) D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(R)-2-Acetoxy-p-mentha-1,8-diene
(R)-2-Acetoxy-p-mentha-1,8-diene is found in citrus. (R)-2-Acetoxy-p-mentha-1,8-diene is isolated from grapefruit oil. Isolated from grapefruit oil. (R)-2-Acetoxy-p-mentha-1,8-diene is found in citrus.
Perillyl acetate
Perillyl acetate is found in mandarin orange (clementine, tangerine). Perillyl acetate is a flavouring ingredient. Flavouring ingredient. Perillyl acetate is found in sunflower.
(±)-Myrtenyl acetate
Isolated from valerian (Valeriana officinalis). (-)-Myrtenyl acetate is found in many foods, some of which are spearmint, hyssop, fats and oils, and tea. (±)-Myrtenyl acetate is a flavouring ingredient.
(S)-p-Mentha-1,8-dien-10-yl acetate
(S)-p-Mentha-1,8-dien-10-yl acetate is found in citrus. (S)-p-Mentha-1,8-dien-10-yl acetate is isolated from grapefruit, lemon and mandarin oils. Isolated from Citrus natsudaidai oil. (±)-p-Mentha-1,8-dien-10-yl acetate is found in lemon, citrus, and fats and oils.
(S)-Neolyratyl acetate
(S)-Neolyratyl acetate is a constituent of Artemisia vulgaris (mugwort). Constituent of Artemisia vulgaris (mugwort)
4-Hydroxypropofol
4-Hydroxypropofol is only found in individuals that have used or taken Propofol. 4-Hydroxypropofol is a metabolite of Propofol. 4-hydroxypropofol belongs to the family of Cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
Ethyl (2E,4E,7Z)-Decatrienoate
Ethyl (2E,4E,7Z)-Decatrienoate is found in fruits. Aroma constituent of fruits including pears and durian. Ethyl (2E,4E,7Z)-Decatrienoate is used in food flavouring (as an unspecified mixture of geometric isomers to which the name FEMA 3832 refers Aroma constituent of fruits including pears and durian. It is used in food flavouring (as an unspecified mixture of geom. isomers to which the name FEMA 3832 refers). Ethyl (2E,4E,7Z)-Decatrienoate is found in pomes and fruits.
Ethyl (2E,4Z,7Z)-Decatrienoate
Ethyl (2E,4Z,7Z)-Decatrienoate is found in fruits. Ethyl (2E,4Z,7Z)-Decatrienoate is found as aroma constituent of fruits such as durian and pears. Ethyl (2E,4Z,7Z)-Decatrienoate is used in food flavouring (as an unspecified mixture of geometric isomers to which the name FEMA 3832 refers Found as aroma constituent of fruits such as durian and pears. It is used in food flavouring (as an unspecified mixture of geom. isomers to which the name FEMA 3832 refers). Ethyl (2E,4Z,7Z)-Decatrienoate is found in pomes and fruits.
(2S,4R)-p-Mentha-1(7),5-dien-2-ol acetate
(2S,4R)-p-Mentha-1(7),5-dien-2-ol acetate is found in fats and oils. (2S,4R)-p-Mentha-1(7),5-dien-2-ol acetate is a constituent of Angelica archangelica (angelica) Constituent of Angelica archangelica (angelica). (2S,4R)-p-Mentha-1(7),5-dien-2-ol acetate is found in fats and oils, herbs and spices, and green vegetables.
Menthadienyl acetate
Menthadienyl acetate is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Menthadienyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Within the cell, menthadienyl acetate is primarily located in the membrane (predicted from logP). Menthadienyl acetate is a flavouring agent for candies.
8-Ocimenyl acetate
8-Ocimenyl acetate is a flavouring ingredient for alcoholic or nonalcoholic beverages, chewing gum and candy with fruity aroma. Flavouring ingredient for alcoholic or nonalcoholic beverages, chewing gum and candy with fruity aroma
1-(2-Furanyl)-1-octanone
1-(2-Furanyl)-1-octanone is a thermal degradation product of laminated polyethylene terephthalate food packaging materials. Thermal degradation product of laminated polyethylene terephthalate food packaging materials
(2,2-Diethoxyethyl)benzene
(2,2-Diethoxyethyl)benzene is a perfumery ingredient. (2,2-Diethoxyethyl)benzene is a flavouring ingredient [CCD]. Perfumery ingredient. Flavouring ingredient [CCD]
alpha-(4-Pyridyl-1-oxide)-N-tert-butylnitrone
cis-Carvyl acetate
Cis-carvyl acetate is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Cis-carvyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cis-carvyl acetate can be found in spearmint and wild celery, which makes cis-carvyl acetate a potential biomarker for the consumption of these food products.
Pinocarvyl acetate
Pinocarvyl acetate is a member of the class of compounds known as bicyclic monoterpenoids. Bicyclic monoterpenoids are monoterpenoids containing exactly 2 rings, which are fused to each other. Pinocarvyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Pinocarvyl acetate can be found in wild celery, which makes pinocarvyl acetate a potential biomarker for the consumption of this food product.
trans-Carvyl acetate
Trans-carvyl acetate is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Trans-carvyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Trans-carvyl acetate can be found in spearmint and wild celery, which makes trans-carvyl acetate a potential biomarker for the consumption of these food products.
Dodecatrienoic acid
Dodecatrienoic acid, also known as dodecatrienoate, is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Dodecatrienoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Dodecatrienoic acid can be found in common buckwheat, which makes dodecatrienoic acid a potential biomarker for the consumption of this food product.
Sabinyl acetate
Sabinyl acetate, also known as sabinyl acetic acid or sabinyl acetate, (1alpha,3beta,5alpha)-isomer, is a member of the class of compounds known as bicyclic monoterpenoids. Bicyclic monoterpenoids are monoterpenoids containing exactly 2 rings, which are fused to each other. Sabinyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Sabinyl acetate can be found in common sage and rosemary, which makes sabinyl acetate a potential biomarker for the consumption of these food products.
(1alpha,5alpha,6alpha)-(-)-2,6-dimethylbicyclo[3.1.1]hept-2-ene-6-methanol acetate
6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Octylphosphonic acid
CONFIDENCE standard compound; INTERNAL_ID 290; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4819; ORIGINAL_PRECURSOR_SCAN_NO 4814 CONFIDENCE standard compound; INTERNAL_ID 290; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4820; ORIGINAL_PRECURSOR_SCAN_NO 4817 CONFIDENCE standard compound; INTERNAL_ID 290; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4849; ORIGINAL_PRECURSOR_SCAN_NO 4845 CONFIDENCE standard compound; INTERNAL_ID 290; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4834; ORIGINAL_PRECURSOR_SCAN_NO 4830 CONFIDENCE standard compound; INTERNAL_ID 290; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4905; ORIGINAL_PRECURSOR_SCAN_NO 4902 CONFIDENCE standard compound; INTERNAL_ID 290; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4853; ORIGINAL_PRECURSOR_SCAN_NO 4848
(1S,2R,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-yl acetate|cis-2-Acetoxy-pinen-(3)|cis-pin-3-en-2-yl acetate|cis-Pinen-(3)-ol-(2)-acetat
All-trans-Dodeca-2,4,6,8-tetraen-1,12-diol|dodeca-2t,4t,6t,8t-tetraene-1,12-diol
2,7,7-Trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate
(2,3-dimethyl-2,6-cyclo-norbornan-3-yl)-acetic acid methyl ester|(2,3-Dimethyl-2,6-cyclo-norbornan-3-yl)-essigsaeure-methylester
rel-4a,5,6,7,8,8a-hexahydro-4a-hydroxy-5,8a-dimethylnaphthalen-2(1H)-one
(4R,5R,10R)-4,15-epoxy-11,12,13-trinoreudesman-8-one
(+-)-tricycloekasantalic acid|(+-)-Tricycloekasantalsaeure|1.2-Dimethyl-3.6-methylen-bicyclo-[0.1.3]-hexan-(beta-propionsaeure)-(2)|3-(2,3-dimethyl-2,6-cyclo-norbornan-3-yl)-propionic acid|3-(2,3-Dimethyl-2,6-cyclo-norbornan-3-yl)-propionsaeure|tricyclische Eksantalsaeure|Tricycloeksantalsaeure
(1RS,5SR,6RS,Z)-6-(2-pentenyl)-2-oxabicyclo<3.3.0>octan-3-one (tuberolide)|(1RS,5SR,6RS,Z)-6-(2-pentenyl)-2-oxabicyclo[3.3.0]octan-3-one (tuberolide)|Tuberolide
5-Methyl-2-isopropenyl-cyclohexen-(4)-ol-(1)-acetat |p-Mentha-1,8-dien-5-ol-acetat
1,1,4,4,5,5,6,6-Octahydro-5-methoxy-2,3-bipyridine
7,7-Dimethyl-2-methylenebicyclo[3.1.1]heptane-6-ol acetate
hexylresorcinol
R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations > R02AA - Antiseptics D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
Methyl (2,4,5,6,7-2H5)-1H-indol-3-ylacetate
C11H6D5NO2 (194.11036049000003)
Azimexon
C26170 - Protective Agent > C2459 - Chemoprotective Agent > C2080 - Cytoprotective Agent C308 - Immunotherapeutic Agent > C2139 - Immunostimulant C26170 - Protective Agent > C797 - Radioprotective Agent D007155 - Immunologic Factors
trans-2-Cyclopropylvinylboronic acid pinacol ester
C11H19BO2 (194.14780240000002)
N-(3-fluorophenyl)piperidin-4-amine
C11H15FN2 (194.12192019999998)
4-(3-ETHYL-5-METHYL-4H-1,2,4-TRIAZOL-4-YL)PIPERIDINE
1-[1-(2-furylmethyl)-3-piperidinyl]methanamine(SALTDATA: FREE)
acetamidopropyl trimonium chloride
C8H19ClN2O (194.11858339999998)
(5-ETHYL-1,3,4-OXADIAZOL-2-YL)METHYLAMINE HYDROCHLORIDE
TRIMETHYL(2,3,4,5-TETRAMETHYL-2,4-CYCLOPENTADIEN-1-YL)SILANE
2-[2-(aminomethyl)phenoxy]-N,N-dimethyl-ethanamine
alpha,alpha,alpha,alpha-tetramethyl-m-xylene-alpha,alpha-diol
ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
Ethyl 4,5,6,7-tetrahydro-1H-benzo[d]imidazole-6-carboxylate
1H-Pyrazole-3-boronic acid pinacol ester
C9H15BN2O2 (194.12265200000002)
2-Amino-3-(pyridin-2-yl)propionic acid ethyl ester
(5-methyl-1,2-oxazol-4-yl)-piperidin-1-ylmethanone
Pyrazole-4-boronic acid pinacol ester
C9H15BN2O2 (194.12265200000002)
N-(5-HYDROXY-PYRIDIN-2-YL)-2,2-DIMETHYL-PROPIONAMIDE
N-(4-HYDROXY-PYRIDIN-3-YL)-2,2-DIMETHYL-PROPIONAMIDE
ETHYL 4,5,6,7-TETRAHYDRO-1H-INDAZOLE-3-CARBOXYLATE
2-(1-Pentynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C11H19BO2 (194.14780240000002)
Benzeneacetic acid, 4-hydrazino-, ethyl ester (9CI)
1-Methyl-1H-pyrazole-5-boronic acid neopentyl glycol ester
C9H15BN2O2 (194.12265200000002)
ETHYL 5-CYCLOPROPYL-1-METHYL-1H-PYRAZOLE-3-CARBOXYLATE
ETHYL 3-CYCLOPROPYL-1-METHYL-1H-PYRAZOLE-5-CARBOXYLATE
tert-butyl 3-(cyanomethylidene)azetidine-1-carboxylate
Ethyl 4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
3-Azabicyclo[3.3.1]nonan-9-one,3-cyclopropyl-,oxime(9CI)
(3,4-DIMETHOXY-BENZYL)-(1,2-DIMETHYL-1H-BENZOIMIDAZOL-5-YL)-AMINE
[2-(4-AMINO-PHENYL)-ETHYL]-CARBAMIC ACID METHYL ESTER
4-METHOXY-6-(PIPERAZIN-1-YL)PYRIMIDINE HYDROCHLORIDE
ethyl 3-amino-5-cyclopropyl-1H-pyrrole-2-carboxylate
1H-Imidazole-4-carboxylicacid,2-cyclopentyl-,hydrazide(9CI)
1-Cyclopentenylboronic acid pinacol ester
C11H19BO2 (194.14780240000002)
2-(hydroxyamino)-2-methyl-1-phenylpropan-1-one oxime
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
C9H15BN2O2 (194.12265200000002)
Benzoic acid, 4-hydrazino-3-(1-methylethyl)- (9CI)
5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-iMidazole
C9H15BN2O2 (194.12265200000002)
N-(6-HYDROXY-PYRIDIN-2-YL)-2,2-DIMETHYL-PROPIONAMIDE
1H-Cyclopenta[c]furan-5(3H)-one,tetrahydro-4-(2-methyl-1-methylenepropyl)-,(3aR,4R,6aR)-rel-(9CI)
Solriamfetol
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BA - Centrally acting sympathomimetics C78272 - Agent Affecting Nervous System
Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-8a-(2-propenyl)-, (8aR)-
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D054659 - Diketopiperazines NNZ 2591 is a synthetic analogue of a small peptide of cyclic glycine proline (cGP). NNZ 2591 shows orally active and cross the blood-brain barrier. NNZ 2591 shows neuroprotective after ischemic brain injury. NNZ 2591 improves motor function in a rat model of Parkinson's disease. NNZ 2591 has the potential for the research of ischemic brain injury and angelman syndrome[1][2][3].
6,6-Dimethyl-2-methylenebicyclo[3.1.1]hept-3-yl acetate
2,5,7-Octatrien-1-ol, 2,6-dimethyl-, acetate, (2E,5E)-
(1S-cis)-2-Methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl acetate
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, cis-
4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-yl acetate
PEG-4
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2E,5S,6E,8E,10E)-1-aminododeca-2,6,8,10-tetraen-5-ol
(3Z,5S,6E,8E,10E)-1-aminododeca-3,6,8,10-tetraen-5-ol
(2S)-2-methyl-4-(4-methylcyclohexa-2,5-dien-1-yl)butanoic acid
2-Hydroxymethyl-3-pentylphenol
A member of the class of phenols that is phenol substituted by hydroxymethyl and pentyl groups at positions 2 and 3, respectively.
Leuvalin
A member of the class of pyrazinones that is pyrazin-2(1H)-one substituted by isopropyl and isobutyl groups at positions 3 and 6, respectively. It is a natural product found in Staphylococcus aureus.
Heliamine(1+)
A secondary ammonium ion that is the conjugate acid of heliamine resulting from the protonation of the amino group; Major species at pH 7.3.
3-Acetyl-7-methyl-5,6,7,7a-tetrahydro-pyrrolo[3,2-b]pyridin-2-one
4-Isopropyl-2-methyl-6,6a-dihydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
Tetraglycol
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3,8-dimethyldeca-4,6-diyne-3,8-diol
An acetylenic compound that is deca-4,6-diyne substituted by methyl groups at positions 3 and 8 and hydroxy groups at positions 3 and 8 respectively.
4-Hydroxypropofol
A hydroquinone that is propofol which is substituted by a hydroxy group at position 4. It is a metabolite of the short acting anaesthetic drug, propofol.
1-[4-(1-oxoprop-2-enyl)-1-piperazinyl]-2-propen-1-one
(2s,4s)-4-(hydroxymethyl)-5-methylhexane-1,2,4,5-tetrol
(1r,3s)-1-isopropyl-4-methylidenebicyclo[3.1.0]hexan-3-yl acetate
(2e,4s)-4-ethenyl-2,5-dimethylhexa-2,5-dien-1-yl acetate
(2z,4r)-4-ethenyl-2,5-dimethylhexa-2,5-dien-1-yl acetate
(1r,2r,5s)-1-isopropyl-4-methylidenebicyclo[3.1.0]hexan-2-yl acetate
3-(2-methylpropyl)-3a,4,5,6-tetrahydro-3h-2-benzofuran-1-one
4-ethenyl-4,7a-dimethyl-tetrahydro-3h-1-benzofuran-2-one
(1s,3r,5s)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-yl acetate
1-[(7s,7ar)-2-hydroxy-7-methyl-4h,5h,6h,7h,7ah-pyrrolo[3,2-b]pyridin-3-yl]ethanone
(1r,5s,6s)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-yl acetate
4-(pent-2-en-1-yl)-hexahydrocyclopenta[b]furan-2-one
1-[3-(pyrrolidin-2-yl)-5,6-dihydro-4h-pyridin-1-yl]ethanone
1-[(2r,7ar)-4,4-dimethyl-5,7a-dihydro-2h-1-benzofuran-2-yl]ethanol
(1s,2r,4s)-5,5-dimethyl-6-methylidenebicyclo[2.2.1]heptan-2-yl acetate
(5z,9z)-5,9-dimethyl-1-oxacycloundeca-5,9-dien-2-one
n-(hexahydro-1h-indolizin-8-ylidenemethyl)ethanimidic acid
3-(4-isopropylcyclohexa-1,3-dien-1-yl)propanoic acid
2-methyl-6-methylene-2,7-octadienol acetate
{"Ingredient_id": "HBIN006014","Ingredient_name": "2-methyl-6-methylene-2,7-octadienol acetate","Alias": "NA","Ingredient_formula": "C12H18O2","Ingredient_Smile": "CC(=CCCC(=C)C=C)COC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14590","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3(s)-3-butyl-3,5-dihydrophthalide
{"Ingredient_id": "HBIN009610","Ingredient_name": "3(s)-3-butyl-3,5-dihydrophthalide","Alias": "NA","Ingredient_formula": "C12H18O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30692","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3(S)-3-Butyl-4,5-dihydrophthalide
{"Ingredient_id": "HBIN009612","Ingredient_name": "3(S)-3-Butyl-4,5-dihydrophthalide","Alias": "3(s)-3-butyl-4,5-dihydrophthalide; 3-butyl-4,5,6,7-tetrahydro-3H-2-benzofuran-1-one; SCHEMBL5037143; AC1NST76","Ingredient_formula": "C12H18O2","Ingredient_Smile": "CCCCC1C2=C(CCCC2)C(=O)O1","Ingredient_weight": "194.27 g/mol","OB_score": "25.7608388","CAS_id": "NA","SymMap_id": "SMIT04470;SMIT14530","TCMID_id": "2791","TCMSP_id": "MOL002173","TCM_ID_id": "NA","PubChem_id": "5315566","DrugBank_id": "NA"}
6-acetyl-4,4,7-trimethylbicyclo[4.1.0]heptan-2-one
{"Ingredient_id": "HBIN012161","Ingredient_name": "6-acetyl-4,4,7-trimethylbicyclo[4.1.0]heptan-2-one","Alias": "NA","Ingredient_formula": "C12H18O2","Ingredient_Smile": "CC1C2C1(CC(CC2=O)(C)C)C(=O)C","Ingredient_weight": "194.27 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40810","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "538983","DrugBank_id": "NA"}
6-methyl-7-(3-oxobutyl)-bicyclo[4,1,0]heptan-3-one
{"Ingredient_id": "HBIN012554","Ingredient_name": "6-methyl-7-(3-oxobutyl)-bicyclo[4,1,0]heptan-3-one","Alias": "NA","Ingredient_formula": "C12H18O2","Ingredient_Smile": "NA","Ingredient_weight": "194.3","OB_score": "24.89831746","CAS_id": "NA","SymMap_id": "SMIT01099","TCMID_id": "NA","TCMSP_id": "MOL004329","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
actinidol
{"Ingredient_id": "HBIN014640","Ingredient_name": "actinidol","Alias": "NA","Ingredient_formula": "C12H18O2","Ingredient_Smile": "CC(C1C=C2C(O1)C=CCC2(C)C)O","Ingredient_weight": "194.27 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "584","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "91753284","DrugBank_id": "NA"}
Bicyclo(3.1.0)hexan-3-ol
{"Ingredient_id": "HBIN018425","Ingredient_name": "Bicyclo(3.1.0)hexan-3-ol","Alias": "NA","Ingredient_formula": "C12H18O2","Ingredient_Smile": "CC(C)C12CC1C(=C)C(C2)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14379","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}