Exact Mass: 272.2503872
Exact Mass Matches: 272.2503872
Found 500 metabolites which its exact mass value is equals to given mass value 272.2503872,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
16-Hydroxyhexadecanoic acid
16-Hydroxyhexadecanoic acid, also known as 16-hydroxypalmitic acid, is a hydroxylated fatty acid where the terminal (omega) carbon has been hydroxylated. In animal tissues, a family of enzymes termed cytochromes P450s are involved in fatty acid oxidation, hydroxylating with high specificity at the energetically unfavourable terminal (omega) or omega-1 carbons. Hydroxy fatty acids primarily come from the consumption of plant products (vegetables or fruits) or cow’s milk. Omega hydroxy fatty acids are found in the structure of suberin, a lipid polyester present in plant cell walls, and of cutin, a lipid polyester which is a component of the plant cuticle. These apoplastic structures are important plant-environment interfaces that act as barriers limiting water and nutrient loss and protecting plants from radiation and pathogens. 16-Hydroxyhexadecanoic acid and 18-hydroxystearic acid are particularly abundant in cutin in the plant cuticle. 16-Hydroxyhexadecanoic acid has been proposed as a biomarker of beer consumption. 16-hydroxy-hexadecanoic acid, also known as 16-hydroxypalmitic acid or 16-oh 16:0, 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. Thus, 16-hydroxy-hexadecanoic acid is considered to be a fatty acid lipid molecule. 16-hydroxy-hexadecanoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 16-hydroxy-hexadecanoic acid can be synthesized from hexadecanoic acid. 16-hydroxy-hexadecanoic acid is also a parent compound for other transformation products, including but not limited to, (3R)-3,16-dihydroxypalmitic acid, oscr#28, and 16-hydroxyhexadecanoyl-CoA. 16-hydroxy-hexadecanoic acid can be found in a number of food items such as other cereal product, hyacinth bean, red rice, and elliotts blueberry, which makes 16-hydroxy-hexadecanoic acid a potential biomarker for the consumption of these food products.
ent-8(14),15-Pimaradiene
ent-8(14),15-Pimaradiene is found in fruits. ent-8(14),15-Pimaradiene is a constituent of Aralia racemosa (American spikenard). Constituent of Aralia racemosa (American spikenard). ent-8(14),15-Pimaradiene is found in fruits.
ent-16-Kaurene
Phyllocladene is found in fats and oils. Phyllocladene is a constituent of sunflower oil.
Abietadiene
Aphidicol-15-ene
Cembrene
Cembrene is found in fats and oils. Cembrene is a constituent of oil of Pinus koraiensis (Korean pine) Cembrene A, or sometimes neocembrene, is a natural monocyclic diterpene isolated from corals of the genus Nephthea. It is a colorless oil with a faint wax-like odor.
Stemar-13-ene
Stemar-13-ene is a member of the class of compounds known as stemarane diterpenoids. Stemarane diterpenoids are diterpenoids with a structure characterized by a stemarane skeleton. Some characteristics include the bicyclic system C/D that is constituted by a bicyclo[3.2.1]octane fused to the bicyclic A/B system in a different fashion with respect to other tetracyclic diterpenes possessing the bicyclo[3.2.1]octane system. Moreover, the two contiguous quaternary carbon atoms, C(9) and C(10), are present, the former being a spirocyclic atom. Oxygenation can happen at positions C(2), C(7), C(13), C(17), C(18), and C(19). Thus, stemar-13-ene is considered to be an isoprenoid lipid molecule. Stemar-13-ene can be found in rice, which makes stemar-13-ene a potential biomarker for the consumption of this food product.
ent-Cassa-12,15-diene
Ent-cassa-12,15-diene is a member of the class of compounds known as isocopalane and spongiane diterpenoids. Isocopalane and spongiane diterpenoids are diterpenoids with a structure based on the isocopalane (Tetradecahydro-1,1,4a,7,8,8a-hexamethylphenanthrene) or the 15,16-epoxyisocopalane skeleton. Thus, ent-cassa-12,15-diene is considered to be an isoprenoid lipid molecule. Ent-cassa-12,15-diene can be found in rice, which makes ent-cassa-12,15-diene a potential biomarker for the consumption of this food product.
fusicocca-2,10(14)-diene
Elisabethatriene
miltiradiene
An abietadiene in which the two doule bonds are located at positions 8 and 12. It is a key intermediate in the biosynthesis of many important natural diterpene compounds such as triptolide, tanshinones, carnosic acid and carnosol.
Cembrene C
A fourteen-membered macrocyclic diterpene consisting of 12-isopropylidene-1,5,9-trimethylcyclotetradecane having three endocyclic double bonds located at positions 1, 5 and 9.
Tsukubadiene
(7E,11E)-3,3,7,11,13a-pentamethy1-2,3,5,6,9,10,13,13a-octahydro-1H-benzo[11]annulene
Pseudolaratriene
A bicyclic diterpene that is 1,2,3,3a,4,5,8,8a-octahydroazulene carrying two methyl substituents at positions 6 and 8a as well as a 6-methylhepta-2,5-dien-2-yl at position 3. The relative stereochemistry has been assigned tentatively.
Cycloaraneosene
A diterpene that has a dicyclopenta[a,d]cyclooctane skeleton containing a double bond at the 6a-7 position and which is substituted by methyl groups at positions 1 and 9a, a methylene group at position 4 and an isopropyl group at position 7 (the 1R,3aR,9aS,10aR isomer). A precursor for sordaricin, the aglycone of sodarin found in Sordaria araneosa.
stemod-13(17)-ene
dolabradiene
A carbotricyclic compound and diterpene that is tetradecahydrophenanthrene which is substituted by a methylene group at position 1, methyl groups at positions 4b, 7, and 10a, and a vinyl group at position 7 (the 4aS,4bR,7S,8aR,10aS stereoisomer).
beta-Pinacene
A diterpene that is cyclotetradeca-1,3,7,11-tetraene which is substituted by methyl groups at positions 1, 7, and 11, and by an isopropyl group at position 4 (the 1Z,3E,7E,11E isomer). It is a constituent of the essential oils from Pinus koraiensis and Pinus sibirica.
gamma-Pinacene
Constituent of Pinus koraiensis (Korean pine). gamma-Pinacene is found in herbs and spices and fruits. beta-Pinacene is found in fruits. beta-Pinacene is a constituent of Pinus koraiensis (Korean pine).
gamma-Camphorene
gamma-Camphorene is found in alcoholic beverages. gamma-Camphorene is a constituent of Humulus lupulus (hop). Constituent of Humulus lupulus (hop). gamma-Camphorene is found in alcoholic beverages and fats and oils.
alpha-Camphorene
Constituent of Humulus lupulus (hops) and Cymbopogon citratus (West Indian lemongrass). alpha-Camphorene is found in lemon grass, alcoholic beverages, and herbs and spices. alpha-Camphorene is found in alcoholic beverages. alpha-Camphorene is a constituent of Humulus lupulus (hops) and Cymbopogon citratus (West Indian lemongrass).
8-Hydroxyhexadecanoic acid
8-Hydroxyhexadecanoic acid is a hydroxy fatty acid. In humans, fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation.
11-Hydroxyhexadecanoic acid
11-Hydroxyhexadecanoic acid is a hydroxy fatty acid. In humans, fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation.
12-Hydroxyhexadecanoic acid
12-Hydroxyhexadecanoic acid is a hydroxy fatty acid. In humans, fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation.
2-Hydroxyhexadecanoic acid
2-Hydroxyhexadecanoic acid (CAS: 764-67-0), also known as 2-hydroxypalmitic acid, 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. The chain of 2-hydroxyhexadecanoic acid bears a hydroxyl group. 2-Hydroxyhexadecanoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 2-Hydroxyhexadecanoic acid occurs in wool fat, which is used as a chewing gum softener. 2-Hydroxypalmitic acid is an intermediate in phytosphingosine metabolism[1].
7-Hydroxyhexadecanoic acid
7-Hydroxyhexadecanoic acid is a hydroxy fatty acid. In humans, fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation.
1,17-Heptadecanediol
1,17-Heptadecanediol is found in beverages. 1,17-Heptadecanediol occurs in leaf cutin of Limonia acidissima (wood apple). Occurs in leaf cutin of Limonia acidissima (wood apple). 1,17-Heptadecanediol is found in beverages and fruits.
10-Hydroxyhexadecanoic acid
10-Hydroxyhexadecanoic acid is a hydroxy fatty acid. In humans, fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation.
(R)-3-Hydroxy-hexadecanoic acid
In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation. (R)-3-Hydroxy-hexadecanoic acid is an intermediate in fatty acid biosynthesis. Specifically, (R)-3-Hydroxy-hexadecanoic acid is converted from 3-Oxo-tetradecanoic acid via fatty-acid Synthase and 3-oxoacyl- [acyl-carrier-protein] reductase. (EC: 2.3.1.85 and EC: 2.3.1.41) [HMDB] In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation. (R)-3-Hydroxy-hexadecanoic acid is an intermediate in fatty acid biosynthesis. Specifically, (R)-3-Hydroxy-hexadecanoic acid is converted from 3-Oxo-tetradecanoic acid via fatty-acid Synthase and 3-oxoacyl- [acyl-carrier-protein] reductase. (EC: 2.3.1.85 and EC: 2.3.1.41).
Undecanoylcholine
Undecanoylcholine is a fatty acid-choline as the ester product of undecanoic 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. Undecanoylcholine is a fatty acid-choline as the ester product of undecanoic acid and cholinel.
Hexanal hexyl isoamyl acetal
Hexanal hexyl isoamyl acetal 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 .
3-Hydroxyhexadecanoic acid
3-Hydroxyhexadecanoic acid (CAS: 2398-34-7) is a long-chain hydroxy fatty acid that is the 3-hydroxy derivative of palmitic acid. In humans, fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation.
5-Hydroxyhexadecanoic acid
5-Hydroxyhexadecanoic acid is a hydroxy fatty acid. In humans, fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation.
9-Hydroxyhexadecanoic acid
9-Hydroxyhexadecanoic acid is a hydroxy fatty acid. In humans, fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation.
13-Hydroxyhexadecanoic acid
13-Hydroxyhexadecanoic acid is a hydroxy fatty acid. In humans, fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation.
6-Hydroxyhexadecanoic acid
6-Hydroxyhexadecanoic acid is a hydroxy fatty acid. In humans, fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation.
(1S,4S,9R,10S,13R,14R)-5,5,9,14-Tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-6-ene
9beta-Pimara-7,15-diene
9beta-pimara-7,15-diene is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. 9beta-pimara-7,15-diene can be found in rice, which makes 9beta-pimara-7,15-diene a potential biomarker for the consumption of this food product.
ent-Sandaracopimaradiene
Ent-sandaracopimaradiene, also known as (-)-8(14),15-isopimaradiene or (-)-isopimara-8(14),15-diene, is a member of the class of compounds known as diterpenoids. Diterpenoids are terpene compounds formed by four isoprene units. Thus, ent-sandaracopimaradiene is considered to be an isoprenoid lipid molecule. Ent-sandaracopimaradiene can be found in rice, which makes ent-sandaracopimaradiene a potential biomarker for the consumption of this food product.
taxa-4,11-diene
Taxa-4,11-diene belongs to taxanes and derivatives class of compounds. Those are diterpenoids with a structure based either on the taxane skeleton, or a derivative thereof. In term of phytochemistry, several derivatives of the taxane skeleton exist: 2(3->20)-abeotaxane, 3,11-cyclotaxane, 11(15->1),11(10->9)-abeotaxane, 3,8-seco-taxane, and 11(15->1)-abeotaxane, among others. More complex skeletons have been found recently, which include the taxane-derived [3.3.3] propellane ring system. Taxa-4,11-diene can be found in a number of food items such as peach, tronchuda cabbage, european cranberry, and arrowroot, which makes taxa-4,11-diene a potential biomarker for the consumption of these food products. Enzymatically, taxadiene is produced from geranylgeranyl pyrophosphate by taxadiene synthase. A biochemical gram-scale production of taxadiene has been reported in 2010 using genetically engineered Escherichia coli .
1,1,4a-Trimethyl-6-methylene-5-(3-methylene-4-pentenyl)decahydronaphthalene #
Phenanthrene, 7-ethenyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,1,4a,7-tetramethyl-
7,11,15-trimethyl-3-methylene-1,6,10,14-hexadecatetraene
16-hydroxypalmitic acid
An omega-hydroxy-long-chain fatty acid that is hexadecanoic acid (also known as palmitic acid) which is substituted at position 16 by a hydroxy group. It is a key monomer of cutin in the plant cuticle. 16-Hydroxy hexadecanoic acid is a hydroxylated fatty acid where the terminal (omega) carbon has been hydroxylated. In animal tissues, a family of enzymes termed cytochromes P450s are involved in fatty acid oxidation, hydroxylating with high specificity at the energetically unfavorable terminal (omega) or omega-1 carbons. Hydroxy fatty acids primarily come from consumption of plant products (vegetables or fruits) or from cows milk. Omega hydroxy fatty acids are found in the structure of suberin, a lipid polyester present in plant cell walls, and of cutin, a lipid polyester which is a component of the plant cuticle. These apoplastic structures are important plant-environment interfaces which act as barriers limiting water and nutrient loss and protecting plants from radiation and pathogens. [HMDB] Acquisition and generation of the data is financially supported in part by CREST/JST.
(4abeta,4balpha,8abeta,10aalpha)-8-ethenyl-7-methylene-tetradecahydro-1,1,4a-trimethylphenanthrene
14-Methyl-hexadecandiol-(1,2)|14-methyl-hexadecane-1,2-diol
(+)-1-methyl-4-(5,9-dimethyl-1-methylenedeca-4,8-dienyl)cyclohexene|(+)-axinyssene|(-)-axinyssene|(4S)-1-methyl-4-[(4E)-5,9-dimethyl-1-methylene-4,8-decadienyl]cyclohexene
14-hydroxypalmitic acid
A hydroxy fatty acid that is palmitic (hexadecanoic) acid carrying a single hydroxy substituent at position 14.
phomopsene
A tetracyclic diterpene that is (6aS,6bR,10aR)-1,2,3,5,6,6a,6b,7,8,9,9a,10-dodecahydrodicyclopenta[a,d]indene substituted by methyl groups at positions 1, 4, 7, 7 and 9a, respectively.
1-(1,5-dimethylhex-4-enyl)-4,8-dimethylspiro[4.5]-deca-1,7-diene|Viscida-3,9,14-triene|viscida-4,9,14-triene
lobophytumin D
A diterpenoid that is 1,2,3,4,4a,5,6,8a-octahydronaphthalene substituted by methyl groups at positions 4a and 8 and a 6-methylhepta-1,5-dien-2-yl group at position 2 (the 2S,4aR,8aR-stereoisomer). It has been isolated from from the Hainan soft coral Lobophytum cristatum.
lobophytumin C
A diterpenoid that is decahydronaphthalene substituted by a methyl group at position 4a, a methylidiene group at position 1 and a 6-methylhepta-1,5-dien-2-yl group at position 7 (the 4aS,7S,8aR-stereoisomer). It has been isolated from the Hainan soft coral Lobophytum cristatum.
1-((2-(Diethylamino)ethyl)amino)-3-(4-methyl-1-piperazinyl)-2-propanol
(10bR)-2abeta,4,4,6abeta,10-Pentamethyl-2,2a,3,4,4aalpha,5,6,6a,7,8,9,10-dodecahydropentaleno[1,6-cd]azulene
(+)-beta-araneosene|(1S*,11R*)-dolabella-3(E),7(E),12(18)-triene
1,5-Dimethyl-8-(5-methyl-1-methylene-4-hexenyl)-1,5-cyclodecadiene|13-prenylgermacra-4Z,1(10Z),11-triene
1,8-dimethylhex-4-(5-methyl-1-methylenehex-4-enyl)spiro[4.5]-dec-7-ene|viscida-3,11(18),14-triene
(3R,3aS,5aS,9R,9aS,11aR)-3,5a,9,11a-tetramethyl-2-methylenedodecahydro-4H-pentaleno[6a,1-c]indene|waihoensene
2-hydroxy Palmitic Acid
A 2-hydroxy fatty acid comprising a C16 straight chain carrying a hydroxy substituent at position 2. 2-Hydroxypalmitic acid is an intermediate in phytosphingosine metabolism[1].
Jalapinolic acid
A hydroxypalmitic acid that is palmitic acid substituted by hydroxy group at position 11 (the 11S stereoisomer).
ent-8(14),15-Pimaradiene
stemar-13-ene
Boric acid (H3BO3),tripentyl ester
C15H33BO3 (272.25226180000004)
(R)-2-hydroxypalmitic acid
Occurs in wool fat, which is used as a chewing gum softener.
(E,E)-7,11,15-Trimethyl-3-methylene-hexadeca-1,6,10,14-tetraene
(4aS,4bS)-1,1,4a-trimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene
(3E,7E)-dolathalia-3,7,11-triene
A bicyclic diterpene consisting of 2,3,5,6,9,10,13,13a-octahydro-1H-benzo[11]annulene carrying five methyl substituents at positions 3, 3, 7, 11 and 13a.
(1Z,5Z,9E)-1,5,9-trimethyl-12-propan-2-ylidenecyclotetradeca-1,5,9-triene
Lycosantalene
A carbotricyclic compound that is tricyclo[2.2.1.0(2,6)]heptane carrying methyl groups at position 1 and 7 and a (6Z)-2,6-dimethylnona-2,6-dien-9-yl group at position 7. It is a diterpene produced by a terpenoid biosynthetic gene cluster in tomatoes.
(4aS,8R,8aS)-4,4,8a-trimethyl-7-methylidene-8-(3-methylidenepent-4-enyl)-2,3,4a,5,6,8-hexahydro-1H-naphthalene
(1RS,3aSR,8aRS)-3a,6-dimethyl-1-(6-methylhepta-2,5-dien-2-yl)-1,2,3,3a,4,7,8,8a-octahydrohydroazulene
(1Z,5Z,9E,12R)-1,5,9-trimethyl-12-(prop-1-en-2-yl)cyclotetradeca-1,5,9-triene
(4R,9R,10R)-5,5,9-trimethyl-13-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane
(3R,5aS,8aR,10bS)-3,5a,8a-trimethyl-10-methylidene-2,3,3a,4,5,6,7,8,9,10a,10b,10c-dodecahydro-1H-pyrene
(1S,4S,9R,10S,13R,14R)-5,5,9,14-Tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-6-ene
(E,E,E)-3,7,11,15-Tetramethylhexadeca-1,3,6,10,14-pentaene
(4aS,5R,9R,11S)-1,1,5,8,11-pentamethyl-8-vinyl-1,2,3,4,4a,5,6,7,8,9-decahydro-5,9-methanobenzocyclooctene
Lydicene
A carbotricyclic compound that is 2,3,4,4a,5,6,6a,7,10,11-decahydro-1H-cyclohepta[a]naphthalene substituted by methyl groups at positions 2, 2, 4a, 6a, and 9, respectively (the 4aR,6aS-stereoisomer).
(1S,3aR,5E,12aS)-3a,6,10-trimethyl-1-prop-1-en-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulene
1,5,9-Cyclotetradecatriene, 13-isopropenyl-2,6,10-trimethyl-, (-)-
(1s,2R,3aS,3bR,5S,6aR)-2,4,4,5,6a-pentamethyl-2,3,3a,3b,4,5,6,6a-octahydrospiro[cyclopentane-1,1-cyclopenta[a]pentalene]
4,6,10-Trimethyl-1-(propan-2-yl)-1,2,3,4,5,8,9,9a-octahydro-5,9,4a-(propane[1,1,3]triyl)benzo[7]annulene
(3R,10S)-3,10,14-trimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),6-diene
(1S,4S,10S,11S,14R)-4,8,14-trimethyl-11-propan-2-yltricyclo[8.4.0.01,5]tetradeca-5,8-diene
Hexadecasphing-4-enine(1+)
A cationic sphingoid that is the conjugate acid of hexadecasphing-4-enine, obtained by protonation of the primary amino function; major species at pH 7.3.
Talarodiene
A diterpene that is produced by a cryptic type I diterpene synthase in marine-derived fungus Aspergillus flavipes.
(5E,14R)-6,11,11,14-tetramethyl-2-methylidenetricyclo[7.6.0.010,14]pentadec-5-ene
(5aR,9aS,10aR)-5a,10a-dimethyl-9-methylidene-3-propan-2-yl-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[f]azulene
(1Z,5E,14R)-2,6,11,11,14-pentamethyltricyclo[7.6.0.010,14]pentadeca-1,5-diene
(1R,4S,4aR,7E,11E,12aR)-4,7,11-trimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,9,10,12a-decahydrobenzo[10]annulene
(1S,2S,9S,10S)-2,6,12-trimethyl-9-propan-2-yltricyclo[8.4.0.01,5]tetradeca-5,11-diene
4,8,14,15,15-Pentamethylbicyclo(9.3.1)pentadeca-4(E),8(E),14-triene
(1E,5Z,9E,12R)-1,5,9-trimethyl-12-prop-1-en-2-ylcyclotetradeca-1,5,9-triene
Ent-atiserene
A diterpene that is the enantiomer of atisane which has undergone formal dehydrogenation to indroduce an exocyclic double bond at position 16.
isopimara-8(14),15-diene
A diterpene derived from pimarane by dehydrogenation across the C(8)-C(14) and C(15)-C(16) bonds
(R)-2-Hydroxyhexadecanoic acid
The R-enantiomer of 2-hydroxypalmitic acid.
para-camphorene
A cycloalkene that is cyclohexene substituted by 2-methylpent-2-en-5-yl and 6-methylhepta-1,5-dien-2-yl groups at positions 1 and 4, respectively. It is a diterpene isolated from several plant species.
(S)-2-Hydroxyhexadecanoic acid
The S-enantiomer of 2-hydroxypalmitic acid.
gamma-Camphorene
A cycloalkene that is cyclohexene substituted by 2-methylpent-2-en-5-yl and 6-methylhepta-1,5-dien-2-yl groups at positions 1 and 5, respectively. It is a diterpene isolated from several plant species.
15-hydroxypalmitic acid
A hydroxy fatty acid that is palmitic (hexadecanoic) acid carrying a single hydroxy substituent at position 15.
rel-(1R,2E,4R,7E,11S,12R)-2,7,18-Dolabellatriene
A natural product found in Dilophus spiralis.
hydroxypalmitic acid
A hydroxy fatty acid that is palmitic (hexadecanoic) acid substituted with one hydroxy group.
(1R,3E,7E,11S,12S)-3,7,18-Dolabellatriene
A natural product found in Dilophus spiralis.
(15R)-15-hydroxypalmitic acid
An (omega-1)-hydroxy fatty acid that is hexadecanoic acid in which the 15-pro-R hydrogen is replaced by a hydroxy group.
(R)-cembrene A
A fourteen-membered macrocyclic diterpene consisting of 1,5,9-trimethyl-12-(prop-1-en-2-yl)cyclotetradecane having three endocyclic double bonds located at positions 1, 5 and 9.
variediene
A tricyclic diterpene that was initially produced by a chimeric terpene synthase gene found in the fungus Emericella variecolor which was heterologously expressed in Aspergillus oryzae.
10-hydroxypalmitic acid
A hydroxypalmitic acid that is palmitic (hexadecanoic) acid carrying a single hydroxy substituent at position 10.
3-Hydroxypalmitic acid
A long-chain fatty acid that is the 3-hydroxy derivative of palmitic acid.
3-isopropyl-3a,9-dimethyl-6-methylidene-1h,2h,3h,4h,5h,6ah,7h,8h,10ah,10bh-cyclohexa[e]azulene
1,1-dimethyl-2-(3-methyl-7-methylidenenona-3,8-dien-1-yl)-3-methylidenecyclohexane
(1s,2s,7s,10s,12r)-2,6,6,13-tetramethyltetracyclo[10.3.1.0¹,¹⁰.0²,⁷]hexadec-13-ene
(1r,4r,9r,10s,13r)-5,5,9,13-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-ene
(4s)-4-[(5e)-6,10-dimethylundeca-1,5,9-trien-2-yl]-1-methylcyclohex-1-ene
(1s,4s,9s,10s,13r)-5,5,9,13-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-ene
6-methyl-4-(6-methylhept-5-en-2-yl)-1-methylidene-3,4,4a,7,8,8a-hexahydro-2h-naphthalene
12-isopropyl-1,5-dimethyl-9-methylidenecyclotetradeca-1,5,10-triene
(1e,3e,6z,10e,14s)-14-isopropyl-3,7,11-trimethylcyclotetradeca-1,3,6,10-tetraene
(1e,3z,6e,10z)-14-isopropyl-3,7,11-trimethylcyclotetradeca-1,3,6,10-tetraene
(4r,4as,8ar)-1,6-dimethyl-4-[(2r)-6-methylhept-5-en-2-yl]-3,4,4a,7,8,8a-hexahydronaphthalene
(1s,4s,8r,9s,12r,15r)-4,8,12,15-tetramethyl-14-methylidenetetracyclo[7.6.0.0¹,¹².0⁴,⁹]pentadecane
(1r,4s,9s,10s,13r)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane
(3s,3ar,5ar,10ar,10br)-5a,8,10b-trimethyl-3-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,6h,9h,10h,10ah-cyclohepta[e]indene
(1e,3e,11e)-4-isopropyl-1,7,11-trimethylcyclotetradeca-1,3,7,11-tetraene
(9s,12r)-5,5,9,13-tetramethylpentacyclo[11.2.1.0¹,¹⁰.0⁴,⁹.0¹²,¹⁴]hexadecane
(1r,2r,4s)-1-ethenyl-1-methyl-4-(6-methylhepta-2,6-dien-2-yl)-2-(prop-1-en-2-yl)cyclohexane
(3r,3as,6as,10as,10br)-3-isopropyl-3a,6,9-trimethyl-1h,2h,3h,4h,6ah,7h,8h,10ah,10bh-cyclohexa[e]azulene
1,7-dimethyl-4-methylidene-1-(4-methylpent-3-en-1-yl)-octahydro-1ah-cyclopropa[e]azulene
(2s,6s,7s,8s)-1,3-dimethyl-8-[(2s)-6-methylhept-5-en-2-yl]tricyclo[4.4.0.0²,⁷]dec-3-ene
(1r,4s,9s,10s,13s)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane
(4as,5s,8as)-1,1,4a-trimethyl-6-methylidene-5-[(2z)-3-methylpenta-2,4-dien-1-yl]-hexahydro-2h-naphthalene
(1s,4s,9s,10r,13r)-5,5,9,13-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-ene
(1s,4s,9s,10s,13s)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane
7-ethenyl-1,1,4a,7-tetramethyl-3,4,6,8,8a,9,10,10a-octahydro-2h-phenanthrene
1-[(2s,5e)-6,10-dimethylundeca-5,9-dien-2-yl]-4-methylcyclohexa-1,3-diene
1,3-dimethyl-8-(6-methylhept-5-en-2-yl)tricyclo[4.4.0.0²,⁷]dec-3-ene
1,5a,8a-trimethyl-4-methylidene-dodecahydro-1h-pyrene
(4ar,4br,7r,10ar)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,8,10,10a-octahydro-2h-phenanthrene
(4as,7s,10as)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,5,6,8,9,10,10a-octahydro-2h-phenanthrene
2,6,11,11,14-pentamethyltetracyclo[7.6.0.0¹,⁵.0¹⁰,¹⁴]pentadec-5-ene
1,3,6,10-Cyclotetradecatetraene, 14-isopropyl-3,7,11-trimethyl
{"Ingredient_id": "HBIN001078","Ingredient_name": "1,3,6,10-Cyclotetradecatetraene, 14-isopropyl-3,7,11-trimethyl","Alias": "NA","Ingredient_formula": "C20H32","Ingredient_Smile": "CC1=CCCC(=CCC=C(C=CC(CC1)C(C)C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41921","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,6,11,15-Tetramethyl-hexadeca-2,6,8,10,14-pentaene
{"Ingredient_id": "HBIN004831","Ingredient_name": "2,6,11,15-Tetramethyl-hexadeca-2,6,8,10,14-pentaene","Alias": "(6E,8E,10E)-2,6,11,15-tetramethylhexadeca-2,6,8,10,14-pentaene; (6E,8E,10E)-2,6,11,15-Tetramethyl-2,6,8,10,14-hexadecapentaene","Ingredient_formula": "C20H32","Ingredient_Smile": "CC(=CCCC(=CC=CC=C(C)CCC=C(C)C)C)C","Ingredient_weight": "272.5 g/mol","OB_score": "4.649508007","CAS_id": "NA","SymMap_id": "SMIT05976","TCMID_id": "NA","TCMSP_id": "MOL003983","TCM_ID_id": "NA","PubChem_id": "5365927","DrugBank_id": "NA"}