Exact Mass: 200.1889
Exact Mass Matches: 200.1889
Found 450 metabolites which its exact mass value is equals to given mass value 200.1889,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Dodecanoic acid
Dodecanoic acid, also known as dodecanoate or lauric acid, belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Dodecanoic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Dodecanoic acid is the main fatty acid in coconut oil and in palm kernel oil, and is believed to have antimicrobial properties. It is a white, powdery solid with a faint odour of bay oil. Dodecanoic acid, although slightly irritating to mucous membranes, has a very low toxicity and so is used in many soaps and shampoos. Defoamer, lubricant. It is used in fruit coatings. Occurs as glyceride in coconut oil and palm kernel oil. Simple esters are flavour ingredients Lauric acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=143-07-7 (retrieved 2024-07-01) (CAS RN: 143-07-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Lauric acid is a middle chain-free fatty acid with strong bactericidal properties. The EC50s for P. acnes, S.aureus, S. epidermidis, are 2, 6, 4 μg/mL, respectively. Lauric acid is a middle chain-free fatty acid with strong bactericidal properties. The EC50s for P. acnes, S.aureus, S. epidermidis, are 2, 6, 4 μg/mL, respectively.
Tridecanol
1-tridecanol is a long chain fatty alcohol with a C-13 carbon back bone. It was found to be the most effective for controlling cariogenic bacterium. [HMDB] 1-tridecanol is a long chain fatty alcohol with a C-13 carbon back bone. It was found to be the most effective for controlling cariogenic bacterium.
Ethyl decanoate
Present in sweet and sour cherry, pineapple, blackberry, plum, quince, cape gooseberry, pawpaw, crispbread, wines, spirits, cerimon (Monstera deliciosa) and roasted filbert. Flavouring agent. Ethyl decanoate is found in many foods, some of which are fruits, german camomile, nuts, and sweet marjoram. Ethyl decanoate, also known as ethyl caprate or ethyl capric acid, belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Ethyl decanoate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral.
Hexamethylene bisacetamide
Hexamethylene bisacetamide belongs to the family of Imines. These are compounds containing an imine functional group, with the general structure RN=CR2 (R = H, hydrocarbyl). C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer D006401 - Hematologic Agents > D006397 - Hematinics D000970 - Antineoplastic Agents
3,4-Dihydrocadalene
Constituent of hop, sweet flag, Juniperus and other oils. 3,4-Dihydrocadalene is found in many foods, some of which are root vegetables, rosemary, herbs and spices, and alcoholic beverages. 3,4-Dihydrocadalene is found in alcoholic beverages. 3,4-Dihydrocadalene is a constituent of hop, sweet flag, Juniperus and other oils.
Isobutyl octanoate
Isobutyl octanoate belongs to the family of Fatty Acid Esters. These are carboxylic ester derivatives of a fatty acid.
beta-Calacorene
beta-Calacorene belongs to the family of Sesquiterpenes. These are terpenes with three consecutive isoprene units
Hexyl hexanoate
Hexyl hexanoate, also known as capryl caproate or fema 2572, belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Hexyl hexanoate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Hexyl hexanoate is used in fruit flavouring. It is found in many fruits, parmesan cheese, alcoholic beverages and black tea. It is a volatile component from fruit ripening.
Decyl acetate
Decyl acetate is found in citrus. Decyl acetate is a flavouring agent. Decyl acetate is present in citrus peels, apple, melon, strawberry, celery and other foodstuffs. Decyl acetate is used in apple, orange and rum flavours. Decyl acetate is a flavouring agent. It is found in citrus peels, apple, melon, strawberry, celery and other foodstuffs. Used in apple, orange and rum flavours.
(R)-Dihydrocitronellol acetate
(R)-Dihydrocitronellol acetate is found in herbs and spices. (R)-Dihydrocitronellol acetate is found in essential oil of Mentha specie Found in essential oil of Mentha subspecies
(S)-9-Hydroxy-10-undecenoic acid
(S)-9-Hydroxy-10-undecenoic acid is found in green vegetables. (S)-9-Hydroxy-10-undecenoic acid is a constituent of Corchorus olitorius (Jews mallow)
Octyl butanoate
Octyl butanoate, also known as N-octyl butyrate or fema 2807, belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. Octyl butanoate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. It is used in fruit food flavouring. Octyl butanoate is found in parsnip.
(S)-gamma-Calacorene
(S)-gamma-Calacorene is found in alcoholic beverages. (S)-gamma-Calacorene is a constituent of Humulus lupulus (hops). Constituent of Humulus lupulus (hops). (S)-gamma-Calacorene is found in alcoholic beverages.
alpha-Corocalene
Constituent of the oil of hops (Humulus lupulus). alpha-Corocalene is found in alcoholic beverages, fats and oils, and common sage. alpha-Corocalene is found in alcoholic beverages. alpha-Corocalene is a constituent of the oil of hops (Humulus lupulus).
Octyl 2-methylpropanoate
Octyl 2-methylpropanoate is used in food flavouring. It is used in food flavouring.
Spermine dialdehyde
Spermine dialdehyde,an oxidized product of spermine, is a novel ex vivo purging agent for both allogeneic and autologous bone marrow transplantations It has been identified as the immunosuppressive agent "SAF" (suppressor activation factor) present in the supernatant of amutant cell line [PMID: 1428363] [HMDB] Spermine dialdehyde,an oxidized product of spermine, is a novel ex vivo purging agent for both allogeneic and autologous bone marrow transplantations It has been identified as the immunosuppressive agent "SAF" (suppressor activation factor) present in the supernatant of amutant cell line [PMID: 1428363].
2-Hexenoylcholine
2-Hexenoylcholine is a fatty acid-choline as the ester product of 2-Hexenoic acid and cholinel. The pharmacological effects of a series of fatty acid-choline esters have been studied on the isolated rabbit heart, the isolated guinea-pig ileum and the rat stomach. The effect changed with increasing chain length, and three different types of response were observed. The shortchain compounds produced depression of the isolated rabbit heart and spasm of the isolated guinea-pig ileum. Only one, butyrylcholine, had an erratic stimulating effect on hydrochloric acid secretion by the partially vagotomized rat stomach. Medium-chain compounds had a stimulating effect on the isolated rabbit heart, a mixed spasmogenic and relaxant effect on the isolated guinea-pig ileum, and no effect on the rat stomach. Long-chain compounds blocked the effect of acetylcholine on the isolated rabbit heart and the isolated guinea-pig ileum; they also depressed spontaneous hydrochloric acid secretion by the rat stomach. 2-Hexenoylcholine is a fatty acid-choline as the ester product of 2-Hexenoic acid and cholinel.
2-Heptyl butyrate
3-Octyl butyrate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
Nonanal propyleneglycol acetal
Nonanal propyleneglycol acetal is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Isopropyl nonanoate
Isopropyl nonanoate is used in food flavouring. It is used in food flavouring.
Pentyl heptanoate
Pentyl heptanoate is a flavouring ingredien Flavouring ingredient
3-Nonanon-1-yl acetate
3-Nonanon-1-yl acetate is a flavouring ingredient. Removed from the GRAS (Generally Recognized As Safe) list (formerly *FEMA 2566*). Flavouring ingredient [DFC]
Isolongifolene, 4,5,9,10-dehydro-
Isolongifolene, 4,5,9,10-dehydro- belongs to the family of Cycloalkenes. These are compounds containing a non-aromatic closed ring of carbon atoms in which at least 2 atoms are connected by a double bond
Isohexyl isocaproate
Isohexyl isocaproate is a member of the class of compounds known as fatty acid esters. Fatty acid esters are carboxylic ester derivatives of a fatty acid. Isohexyl isocaproate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Isohexyl isocaproate can be found in a number of food items such as pepper (c. frutescens), orange bell pepper, pepper (c. annuum), and yellow bell pepper, which makes isohexyl isocaproate a potential biomarker for the consumption of these food products.
2-(L-Menthoxy)ethanol
It is used as a food additive .
2-Nonanone propyleneglycol acetal
It is used as a food additive .
Methyl undecanoate
Methyl undecanoate is an internal standard in gas-liquid chromatogram[1]. Methyl undecanoate is an internal standard in gas-liquid chromatogram[1].
BUTYL OCTANOATE
An octanoate ester obtained by the formal condensation of the carboxy group of octanoic acid with the hydroxy group of butanol.
Isovaleriansaeure-(1,4-dimethyl-pentylester)|isovaleric acid-(1,4-dimethyl-pentyl ester)
Pentadeca-2t,4t,8t,10t-tetraen-6-in|pentadeca-2t,4t,8t,10t-tetraen-6-yne
(2E,9Z)-2,9-Pentadecadiene-4,6-diyne|2-trans,9-cis-Pentadecadien-(2.9)-diin-(4.6)|2-trans-9-cis-2,9-pentadecadiene-4,6-diyne|pentadeca-2t,9c-diene-4,6-diyne|pentadeca-trans-2,cis-9-diene-4,6-diyne
7-Hydroxyamino-p-menthan-2-on-oxim|7-hydroxyamino-p-menthan-2-one oxime
10-Methylundecanoic acid
A methyl-branched fatty acid that is undecanoic acid substituted by a methyl group at position 10.
3-Hydroxy-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane
methyl 2,3-dihydrogeraniol-8-oate|methyl 8-hydroxy-2,6-dimethyl-2-(E)-octenoate
(+-)-Dehydro-curcumen|(+-)-Dehydrocurcumen|(+-)-Dehydrocurcumene
Methyl undecanoate
Methyl undecanoate is a fatty acid methyl ester of undecanoic acid. It has a role as a metabolite. It is functionally related to an undecanoic acid. Methyl undecanoate is a natural product found in Astragalus mongholicus, Houttuynia cordata, and other organisms with data available. A fatty acid methyl ester of undecanoic acid. Methyl undecanoate is an internal standard in gas-liquid chromatogram[1]. Methyl undecanoate is an internal standard in gas-liquid chromatogram[1].
Lauric acid
Lauric acid, systematically dodecanoic acid, is a saturated fatty acid with a 12-carbon atom chain, thus having many properties of medium-chain fatty acids.[6] It is a bright white, powdery solid with a faint odor of bay oil or soap. The salts and esters of lauric acid are known as laurates. Lauric acid, as a component of triglycerides, comprises about half of the fatty-acid content in coconut milk, coconut oil, laurel oil, and palm kernel oil (not to be confused with palm oil),[10][11] Otherwise, it is relatively uncommon. It is also found in human breast milk (6.2\\\\% of total fat), cow's milk (2.9\\\\%), and goat's milk (3.1\\\\%). Lauric acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=143-07-7 (retrieved 2024-07-01) (CAS RN: 143-07-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Lauric acid is a middle chain-free fatty acid with strong bactericidal properties. The EC50s for P. acnes, S.aureus, S. epidermidis, are 2, 6, 4 μg/mL, respectively. Lauric acid is a middle chain-free fatty acid with strong bactericidal properties. The EC50s for P. acnes, S.aureus, S. epidermidis, are 2, 6, 4 μg/mL, respectively.
Dodecanoic acid
A straight-chain, twelve-carbon medium-chain saturated fatty acid with strong bactericidal properties; the main fatty acid in coconut oil and palm kernel oil.
Hexamethylenediacetamide
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer D006401 - Hematologic Agents > D006397 - Hematinics D000970 - Antineoplastic Agents
Tridecan-2-ol
A secondary alcohol that is tridecane substituted by a hydroxy group at position 2.
C12:0
Lauric acid is a middle chain-free fatty acid with strong bactericidal properties. The EC50s for P. acnes, S.aureus, S. epidermidis, are 2, 6, 4 μg/mL, respectively. Lauric acid is a middle chain-free fatty acid with strong bactericidal properties. The EC50s for P. acnes, S.aureus, S. epidermidis, are 2, 6, 4 μg/mL, respectively.
n-methyl-n-trimethylsilylmethyl-n-tert-butylformamidine
(2R,4R)-TERT-BUTYL 4-AMINO-2-METHYLPYRROLIDINE-1-CARBOXYLATE
((1R,3S)-3-Aminocyclopentyl)carbamic acid tert-butyl ester
tert-Butyl ((3S)-3-methylpyrrolidin-3-yl)carbamate
Silane, (cyclopentyloxy)(1,1-dimethylethyl)dimethyl- (9CI)
trans-tert-butyl (3-(aminomethyl)cyclobutyl)carbamate
tert-butyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
3-(4-HYDROXY-CYCLOHEXYL)-PROPIONIC ACID ETHYL ESTER
tert-butyl (3S,4S)-4-Methylpyrrolidin-3-ylcarbamate
tert-butyl (3R,4R)-4-Methylpyrrolidin-3-ylcarbamate
2-Amino-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
3-AMINO-4-METHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
tert-butyl 3-amino-3-methylpyrrolidine-1-carboxylate
Cyclopentanemethanol, 2-[(tetrahydro-2H-pyran-2-yl)oxy]- (9CI)
1-(TERT-BUTOXYCARBONYL)-3-(DIMETHYLAMINO)AZETIDINE
tert-butyl 3-[(methylamino)methyl]azetidine-1-carboxylate
tert-butyl 3-(2-aminoethyl)azetidine-1-carboxylate
(5S)-5,6-DIHYDRO-5,6-DIHYDROXY-6-METHYLHEPTAN-2-ONE ACETONIDE
(R)-tert-butyl 3-(aminomethyl)pyrrolidine-1-carboxylate
3-[(1-isopropylpiperidin-4-yl)oxy]propan-1-amine(SALTDATA: FREE)
tert-butyl N-[(3-methylazetidin-3-yl)methyl]carbamate
Carbamic acid, [2-(cyclopropylamino)ethyl]-, 1,1-dimethylethyl ester (9CI)
5,6,7,7a,8,9,10,11-octahydro-4H-benzo[ef]heptalene
1-Pyrrolidinecarboxylic acid,4-amino-2-methyl-,1,1-dimethylethylester,(2S,4R)-(9CI)
Carbamic acid, (3-methyl-3-pyrrolidinyl)-, 1,1-dimethylethyl ester, (+)- (9CI)
tert-butyl N-[(1S,3S)-3-aminocyclopentyl]carbamate
Dimethyl suberimidate
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007096 - Imidoesters
3-Methylundecanoic acid
A methyl-branched fatty acid that is undecanoic acid bearing a methyl substituent at position 3.
Diazene, [1-[2,2-bis(1-methylethyl)hydrazino]ethyl]ethyl-
C-1297
Lauric acid is a middle chain-free fatty acid with strong bactericidal properties. The EC50s for P. acnes, S.aureus, S. epidermidis, are 2, 6, 4 μg/mL, respectively. Lauric acid is a middle chain-free fatty acid with strong bactericidal properties. The EC50s for P. acnes, S.aureus, S. epidermidis, are 2, 6, 4 μg/mL, respectively.
U0250_SIGMA
Methyl undecanoate is an internal standard in gas-liquid chromatogram[1]. Methyl undecanoate is an internal standard in gas-liquid chromatogram[1].
(2E,10R)-10-hydroxyundec-2-enoic acid
An (omega-1)-hydroxy fatty acid that is trans-undec-2-enoic acid in which the 10-pro-R hydrogen is replaced by a hydroxy group.
Propionic acid 1-tert-butyl-2,2-dimethyl-propyl ester
HEXYL HEXANOATE
A hexanoate ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with hexan-1-ol. It is a constituent found in passion fruit, apples, strawberries and wine.
Hexamethylene bisacetamide
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer D006401 - Hematologic Agents > D006397 - Hematinics D000970 - Antineoplastic Agents
11-methyldodecan-1-ol
A long-chain fatty alcohol that is dodecan-1-ol bearing a methyl substituent at position 11.
tridecan-6-ol
A secondary alcohol that is tridecane substituted by a hydroxy group at position 6.
(2E)-11-hydroxyundec-2-enoic acid
An omega-hydroxy fatty acid that is trans-undec-2-enoic acid in which one of the hydrogens attached to the terminal methyl group is replaced by a hydroxy group.
4,5,9,10-dehydroisolongifolene
A carbotricyclic compound that is 1,5-dihydro-2H-2,4a-methanonaphthalene carrying four methyl groups at positions 1,1,5, and 5.
Tridecan-1-ol
A long-chain primary fatty alcohol that is tridecane substituted by a hydroxy group at position 1.
tridecan-4-ol
A secondary alcohol that is tridecane substituted by a hydroxy group at position 4.
tridecan-7-ol
A secondary alcohol that is tridecane substituted by a hydroxy group at position 7.
1-isopropyl-4-methoxy-4-methylbicyclo[3.1.0]hexane-2,3-diol
(1s)-1-[(2s,3ar,6r,6as)-6-(hydroxymethyl)-hexahydro-2h-cyclopenta[b]furan-2-yl]propan-1-ol
(4r)-4-isopropyl-1,6-dimethyl-3,4-dihydronaphthalene
[(1e)-hex-1-en-1-yl-oxo-λ⁵-azanylidene][(2r,3s)-3-hydroxybutan-2-yl]amine
1,2,3,4,5,6,7,8-octahydro-1-methylphenanthrene
{"Ingredient_id": "HBIN000565","Ingredient_name": "1,2,3,4,5,6,7,8-octahydro-1-methylphenanthrene","Alias": "NA","Ingredient_formula": "C15H20","Ingredient_Smile": "CC1CCCC2=C1C=CC3=C2CCCC3","Ingredient_weight": "200.32 g/mol","OB_score": "17.38321093","CAS_id": "NA","SymMap_id": "SMIT04199","TCMID_id": "NA","TCMSP_id": "MOL001846","TCM_ID_id": "NA","PubChem_id": "604000","DrugBank_id": "NA"}
1,3,5,7(14),10-bisabolapentaene
{"Ingredient_id": "HBIN001043","Ingredient_name": "1,3,5,7(14),10-bisabolapentaene","Alias": "NA","Ingredient_formula": "C15H20","Ingredient_Smile": "NA","Ingredient_weight": "200.32","OB_score": "NA","CAS_id": "4999-58-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9563","PubChem_id": "NA","DrugBank_id": "NA"}
1- octen- 3- o
{"Ingredient_id": "HBIN002882","Ingredient_name": "1- octen- 3- o","Alias": "NA","Ingredient_formula": "C11H24OSi","Ingredient_Smile": "CCCCCC(C=C[Si](C)(C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35523","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-isopropyl-6,6-dimethyl-hept-3-ene-2,5-diol
{"Ingredient_id": "HBIN011727","Ingredient_name": "5-isopropyl-6,6-dimethyl-hept-3-ene-2,5-diol","Alias": "NA","Ingredient_formula": "C12H24O2","Ingredient_Smile": "CC(C)C(C=CC(C)O)(C(C)(C)C)O","Ingredient_weight": "200.32 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40987","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5363341","DrugBank_id": "NA"}
bisabola-1,3,5,7,11-pentaene
{"Ingredient_id": "HBIN018569","Ingredient_name": "bisabola-1,3,5,7,11-pentaene","Alias": "NA","Ingredient_formula": "C15H20","Ingredient_Smile": "CC1=CC=C(C=C1)C(=CCCC(=C)C)C","Ingredient_weight": "200.32 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2404","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "91749985","DrugBank_id": "NA"}
