Exact Mass: 424.3341
Exact Mass Matches: 424.3341
Found 500 metabolites which its exact mass value is equals to given mass value 424.3341,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Glutinone
Glutinone is a member of cyclohexanones. Glutinone is a natural product found in Uvaria concava, Dischidia formosana, and other organisms with data available.
alpha-Tocotrienol
alpha-Tocotrienol (CAS: 1721-51-3), also known as 5,7,8-trimethyltocotrienol, belongs to the class of organic compounds known as tocotrienols. These are vitamin E derivatives containing an unsaturated trimethyltrideca-3,7,11-trien-1-yl chain attached to the carbon C6 atom of a benzopyran ring system. They differ from tocopherols that contain a saturated trimethyltridecyl chain. Thus, alpha-tocotrienol is considered to be a quinone lipid molecule. alpha-Tocotrienol is found in the blood plasma and all lipoprotein subfractions. Compared to tocopherols, alpha-tocotrienols are poorly studied. Its presence in the blood plasma at nanomolar concentrations is thought to help to prevent stroke-related neurodegeneration (PMID: 16771695). alpha-Tocotrienol has been found to have vitamin E activity. D020011 - Protective Agents > D000975 - Antioxidants > D024508 - Tocotrienols Acquisition and generation of the data is financially supported in part by CREST/JST.
Cycloeucalenone
A pentacyclic triterpenoid that is 4alpha,14-dimethyl-9beta,19-cyclo-5alpha-ergost-24(28)-ene which is substituted by an oxo group at position 3. It has been isolated from several plant species including Quercus variabilis, Ammocharis coranica, Solanum cernuum and Tinospora crispa.
Moretenone
Moretenone is found in fats and oils. Moretenone is a constituent of Sapium sebiferum (Chinese tallowtree) Constituent of Sapium sebiferum (Chinese tallowtree). Moretenone is found in fats and oils. Moretenone is a natural product found in Patrinia villosa with data available.
31-Norcyclolaudenone
4-Epicyclomusalenone is found in fruits. 4-Epicyclomusalenone is a constituent of Musa sapientum (banana). Constituent of Musa sapientum (banana). 4-Epicyclomusalenone is found in fruits.
Taraxasterone
Isolated from dandelion root Taraxacum officinale. It is used in flavouring. Taraxasterone is found in many foods, some of which are beverages, alcoholic beverages, coffee and coffee products, and tea. Taraxasterone is found in alcoholic beverages. Taraxasterone is isolated from dandelion root Taraxacum officinale. Taraxasterone is used in flavourin Taraxasterone is a triterpenoid.
Anhydrosophoradiol
Anhydrosophoradiol is found in pulses. Anhydrosophoradiol is isolated from azuki bean (Vigna angularis) seeds. Isolated from azuki bean (Vigna angularis) seeds. Anhydrosophoradiol is found in pulses.
alpha-Amyrone
alpha-Amyrone is found in black elderberry. alpha-Amyrone is found in Sambucus nigra (elderberry). Found in Sambucus nigra (elderberry)
(22E,24R)-Stigmasta-4,22-diene-3,6-dione
(22E,24R)-Stigmasta-4,22-diene-3,6-dione is found in fruits. (22E,24R)-Stigmasta-4,22-diene-3,6-dione is isolated from Glycine max (soybean) and Pistia stratiotes (date). Isolated from Glycine max (soybean) and Pistia stratiotes (date). (22E,24R)-Stigmasta-4,22-diene-3,6-dione is found in soy bean, pulses, and fruits.
Butyrospermone
Butyrospermone is found in fats and oils. Butyrospermone is found in various vegetable oils. Found in various vegetable oils
gamma-Taraxasterone
Constituent of dandelion root (Taraxacum officinale). gamma-Taraxasterone is found in many foods, some of which are beverages, coffee and coffee products, alcoholic beverages, and tea. gamma-Taraxasterone is found in alcoholic beverages. gamma-Taraxasterone is a constituent of dandelion root (Taraxacum officinale)
Cycloeucalenone
4-Epicycloeucalenone is found in fruits. 4-Epicycloeucalenone is isolated from Musa sapientum (banana
Mangiferoleanone
Mangiferoleanone is found in fruits. Mangiferoleanone is a constituent of the root bark of Mangifera indica (mango) Constituent of the root bark of Mangifera indica (mango). Mangiferoleanone is found in fruits.
Linoelaidylcarnitine
Linoelaidylcarnitine is an acylcarnitine. Numerous disorders have been described that lead to disturbances in energy production and in intermediary metabolism in the organism which are characterized by the production and excretion of unusual acylcarnitines. A mutation in the gene coding for carnitine-acylcarnitine translocase or the OCTN2 transporter aetiologically causes a carnitine deficiency that results in poor intestinal absorption of dietary L-carnitine, its impaired reabsorption by the kidney and, consequently, increased urinary loss of L-carnitine. Determination of the qualitative pattern of acylcarnitines can be of diagnostic and therapeutic importance. The betaine structure of carnitine requires special analytical procedures for recording. The ionic nature of L-carnitine causes a high water solubility which decreases with the increasing chain length of the ester group in the acylcarnitines. Therefore, the distribution of L-carnitine and acylcarnitines in various organs is defined by their function and their physicochemical properties as well. High-performance liquid chromatography (HPLC) permits screening for free and total carnitine, as well as complete quantitative acylcarnitine determination, including the long-chain acylcarnitine profile (PMID: 17508264, Monatshefte fuer Chemie (2005), 136(8), 1279-1291., Int J Mass Spectrom. 1999;188:39-52.).
Linoleyl carnitine
Linoleyl carnitine is a long-chain acyl fatty acid derivative ester of carnitine. Long-chain acyl fatty acid derivatives accumulate in the cytosol and serum of patients suffering of mitochondrial carnitine palmitoyltransferase II (CPT II, EC 2.3.1.12) deficiency, the most common inherited disorder of lipid metabolism in adults. Carnitine palmitoyltransferase II deficiency is an autosomal recessive disorder of fatty acid metabolism presenting as two clinical phenotypes: (i) a severe infantile hepatocardiomuscular form and (ii) a milder adult muscular form. Energy production from long-chain fatty acids (LCFAs) requires the transport of LCFAs into the mitochondrial matrix. This transport is carnitine-dependent and involves translocation machinery. Mitochondrial fatty acid oxidation disorders cause hypoglycaemia, hepatic dysfunction, myopathy, cardiomyopathy and encephalopathy. Patients with end-stage renal disease (ESRD) undergoing long-term haemodialysis exhibit elevated acylcarnitine concentrations (PMID: 11999976, 10682306, 15025677, 16168195). Moreover, linoleyl carnitine is found to be associated with glutaric aciduria II, which is an inborn error of metabolism. Linoleyl carnitine is a long-chain acyl fatty acid derivative ester of carnitine. Long-chain acyl fatty acid derivatives accumulate in the cytosol and serum of patients suffering of mitochondrial carnitine palmitoyltransferase II (CPT II, EC 2.3.1.12) deficiency, the most common inherited disorder of lipid metabolism in adults. carnitine palmitoyltransferase II deficiency is an autosomal recessive disorder of fatty acid metabolism presenting as two clinical phenotypes: (i) a severe infantile hepatocardiomuscular form and (ii) a milder adult muscular form. Energy production from long-chain fatty acids (LCFAs) requires the transport of LCFAs into the mitochondrial matrix. This transport is carnitine-dependent and involves translocation machinery. mitochondrial fatty acid oxidation disorders cause hypoglycaemia, hepatic dysfunction, myopathy, cardiomyopathy and encephalopathy. Patients with end-stage renal disease (ESRD) undergoing long-term haemodialysis exhibit elevated acylcarnitine concentrations. (PMID: 11999976, 10682306, 15025677, 16168195) [HMDB]
Momodicaursenol
Momodicaursenol is found in fruits. Momodicaursenol is a constituent of the seeds of the famine food Momordica dioica. Constituent of the seeds of the famine food Momordica dioica. Momodicaursenol is found in fruits.
(2R)-2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-ol
Bis(7-methyloctyl) Cyclohexane-1,2-dicarboxylate
17-Estradiol cyclooctyl acetate
Lupenone
1,2,5,14,18,18-hexamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-17-one belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. 1,2,5,14,18,18-hexamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-17-one is an extremely weak basic (essentially neutral) compound (based on its pKa). This compound has been identified in human blood as reported by (PMID: 31557052 ). Lupenone is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Lupenone is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Taraxerone
24-Methylene-31-nor-5alpha-cycloartan-3-one
24-methylene-31-nor-5alpha-cycloartan-3-one is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 24-methylene-31-nor-5alpha-cycloartan-3-one can be found in french plantain, which makes 24-methylene-31-nor-5alpha-cycloartan-3-one a potential biomarker for the consumption of this food product.
Stigmast-4,22-diene-3,6-dione
Stigmast-4,22-diene-3,6-dione is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Stigmast-4,22-diene-3,6-dione can be found in date, which makes stigmast-4,22-diene-3,6-dione a potential biomarker for the consumption of this food product.
beta-Amyrenone
Beta-amyrenone is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Beta-amyrenone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Beta-amyrenone can be found in rosemary and shea tree, which makes beta-amyrenone a potential biomarker for the consumption of these food products.
Skimmione
Taraxerone is a scalarane sesterterpenoid. It has a role as a metabolite. Taraxerone is a natural product found in Alnus pendula, Euphorbia mellifera, and other organisms with data available. See also: Myrica cerifera root bark (part of). A natural product found in Cupania cinerea.
3a,5a,8,8,11a,13a-hexamethyl-3-(propan-2-yl)-1,2,3,3a,4,5,5a,5b,6,7,7a,8,10,11,11a,13,13a,13b-octadecahydro-9h-cyclopenta[a]chrysen-9-one
4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one
D:C-D-Friedomadeir-7-en-3-one|D:C-friedomadeir-7-en-3-one|isomadeiranone
3beta-hydroxy-28-norolean-12,17-dien-16-one|3beta-hydroxy-28-noroleana-12,17-dien-16-one|Maragenin II
D:C-Friedo-urs-8-en-3-on|D:C-friedo-urs-8-en-3-one|Isobauerenon|isobauerenone|Isobauereon
1(10 -> 6)abeo-ergosta-5,7,9,22-tetraen-11alpha-methoxy-3alpha-ol|citreoandrasteroid|Citreoanthrasteroid
22beta-form-22-Hydroxy-29-nor-2,4(23)-friedeladien-21-one
9(11)-dehydroaxinysterol
A 3beta-sterol having a 5alpha-ergostane skeleton with double bonds at C-6, C-9(11), C-22 and C-25 and a peroxy group between positions 5 and 8. An antineoplastic agent isolated from Okinawan sponge of the genus Axinyssa.
1-(1-methylethyl)-4-methyl-3-cyclohexenyl 3,5-bis(2-methyl-2-butenyl)-4-methoxybenzoate
3beta-hydroxy-4alpha,14alpha-dimethyl-5alpha-ergosta-7,9(11),24(28)-trien|4alpha,14alpha-Dimethyl-5alpha-ergosta-7,9(11),24(28)-trien-3beta-ol
19alpha-hydroxyferna-7,9(11)-diene|19??-Hydroxyferna-7,9(11)-diene
(4aR)-10c-Hydroxy-2.2.4ar.6at.6bc.9.9.12ac-octamethyl-(8atH.12btH)-Delta13.14a-octadecahydro-picen|(4aR)-10c-hydroxy-2.2.4ar.6at.6bc.9.9.12ac-octamethyl-(8atH.12btH)-Delta13.14a-octadecahydro-picene|3beta-11,13(18)-Oleanadien-3-ol|oleana-11:13(18)-dien-3beta-ol
6-Ketone-6beta-6-Hydroxystigmasta-4,24-dien-3-one|stigmasta-4,24(25)-dien-3,6-dione
(3beta,20S)-20-(methylamino)-3-[(2-methylbut-2-enoyl)amino]-5alpha-pregn-2-en-4-one|Pulchowkiamide A
(3Z,5S,15Z,27Z)-form-3,15,27-Triacontatriene-1,29-diyn-5-ol|(5R)-3,15,27-triacontatriene-1.29-diyn-5-ol
(3beta)-3-hydroxy-24,30-dinoroleana-4(23),12,20(29)-trien-28-oic acid|paeonenoide B
Lupenone
Lupenone, isolated from Musa basjoo, belongs to lupane type triterpenoids. Lupenone shows various pharmacological activities including anti-inflammatory, anti-virus, anti-diabetes, anti-cancer, improving Chagas disease without major toxicity[1][2]. Lupenone is an orally active lupine-type triterpenoid that can be isolated from Musa basjoo. Lupenone Lupenone plays a role through the PI3K/Akt/mTOR and NF-κB signaling pathways. Lupenone has anti-inflammatory, antiviral, antidiabetic and anticancer activities[1][2][3]. Lupenone, isolated from Musa basjoo, belongs to lupane type triterpenoids. Lupenone shows various pharmacological activities including anti-inflammatory, anti-virus, anti-diabetes, anti-cancer, improving Chagas disease without major toxicity[1][2].
2,8-Dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-5-formyl-chroman-6-ol|2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-5-formylchroman-6-ol|5-formyl-delta-tocotrienol
D:beta-Friedoolean-5(10)-enon-(1)|Glut-5(10)-en-1-on
3-hydroxy-24,28-dinor-18beta-olean-3,12-diene-2,16-dione|remangilone D
cycloart-23,25-dien-3beta-ol|cycloarta-23,25-diene-3beta,28-diol
(22E)-3beta-hydroxy-14beta-ergosta-5,8,22-trien-7,15-dione
(22E)-3beta-hydroxyergosta-5,8(14),22-trien-7,15-one
24-Ethyl-25-methylcholesta-5,22,24(28)-trien-3beta-ol
9alpha,11alpha-dihydroxyergosta-4,6,8(14),22-tetraen-3-one
An ergostanoid that is ergosta-4,6,8(14),22-tetraene substituted by hydroxy groups at positions 9 and 11 and an oxo group at position 3. Isolated from a myxobacterial strain Sorangiineae, it exhibits activity against colon adinocarcinoma cells.
lanosta-9(11),24-dien-3-one
A tetracyclic triterpenoid that is lanosta-9(11),24-diene substituted by an oxo group at position 3. It has been isolated from the roots of Rubia yunnanensis.
(20R,22E,24R)-3beta-hydroxystigmasta-5,22,25-trien-7-one|stigmasta-5,22,25-trien-7-on-3beta-ol
(24R)-3-hydroxy-9,10-secostigmasta-1,3,5(10),22-tetraen-9-one|sibogol B
(20R,22E,24R)-6beta-hydroxystigmasta-4,22,25-trien-3-one
4alpha,14alpha-dimethyl-5alpha-ergosta-8,24-dien-3-one|Obtusifolion|obtusifolione|oxo-3 trimethyl-4alpha,14alpha,24 cholesta-5alpha diene-8,24(28)
12beta-acetoxy-24-norcholesta-1,4,22-trien-3-one|24-Norcholesta-1,4,22,trien-12beta-acetoxy-3-one
cornusalterin F
A tirucallane triterpenoid that is (13alpha,14beta,17alpha,20S)-lanosta-2,7-dien-1-one substituted by an oxo group at position 1. It has been isolated from the stem and stem barks of Cornus walteri.
Delta12-lupeol|lup-12,20(29)-dien-3beta-ol|lupa-12,20(29)-dien-3beta-ol|Lupa-12,20(30)-dien-3beta-ol|lupeol
24(S)-24-Methyl-24-ethylcholesta-5,22,25-trien-3beta-ol
cornusalterin E
A tirucallane triterpenoid that is (13alpha,14beta,17alpha,20S)-lanosta-1,7-diene substituted by an oxo group at position 3. It has been isolated from the stem and stem barks of Cornus walteri.
2,8-Dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-7-formyl-chroman-6-ol
(2E,20S)-20-(dimethylamino)-3beta-(tigloylamino)pregn-4,14-diene|salonine-C
3-beta-form-20(29),21-Lupadien-3-ol|Lupa-21,20(29)-dien-3beta-ol
β-Amyrone
Olean-12-en-3-one is a natural product found in Diospyros morrisiana and Adiantum capillus-veneris with data available. β-Amyrone (β-Amyron) is a triterpene compound which has anti-inflammatory activity through inhibiting the expression of COX-2. β-Amyrone has antifungal activity , as well as antiviral activity against Chikungunya virus. β-Amyrone also inhibits α-glucosidase and acetylcholinesterase (AChE) activity. β-Amyrone can be used in the research of disease like inflammation, infection, and obesity[1][2][3][4]. β-Amyrone (β-Amyron) is a triterpene compound which has anti-inflammatory activity through inhibiting the expression of COX-2. β-Amyrone has antifungal activity , as well as antiviral activity against Chikungunya virus. β-Amyrone also inhibits α-glucosidase and acetylcholinesterase (AChE) activity. β-Amyrone can be used in the research of disease like inflammation, infection, and obesity[1][2][3][4].
α-tocotrienol
A tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2, 5, 7 and 8 and a farnesyl chain at position 2. It has been found in palm oil derived from Elaeis guineensis. D020011 - Protective Agents > D000975 - Antioxidants > D024508 - Tocotrienols
4α,14α-dimethyl-24-methylene-cholest-7,9(11)-dien-3β-ol
(5Z,7E,22E,24E,26E)-(1S,3R)-26a,26b-dihomo-27-nor-9,10-seco-5,7,10(19),22,24,26(26a)-cholestahexaene-1,3,26b-triol
2α-Fluoro-19-nor-22-oxa-1α,25-dihydroxyvitamin D3
Isopropyl unoprostone
Cyclomusalenone
Moretenone
Anhydrosophoradiol
Momodicaursenol
Pseudotaraxasterone
Mangiferoleanone
(22E,24R)-Stigmasta-4,22-diene-3,6-dione
Butyrospermone
(22E,24E,26E)-1alpha,26b-dihydroxy-22,23,24,25,26,26a-hexadehydro-26a,26b-dihomo-27-norvitamin D3
2alpha-Fluoro-19-nor-22-oxa-1alpha,25-dihydroxyvitamin D3
2-methylprop-2-enoic acid,octadecyl 2-methylprop-2-enoate
(Z)-(carboxymethyl)dimethyl-3-[(1-oxo-9-octadecenyl)amino]propylammonium hydroxide
2,2-Methylenebis[4,6-bis(2-methyl-2-propanyl)phenol]
Pifarnine
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent
Unoprostone Isopropyl
C78283 - Agent Affecting Organs of Special Senses > C29705 - Anti-glaucoma Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents C78568 - Prostaglandin Analogue
beta-Amyrenone
Beta-amyrenone is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Beta-amyrenone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Beta-amyrenone can be found in rosemary and shea tree, which makes beta-amyrenone a potential biomarker for the consumption of these food products. β-Amyrone (β-Amyron) is a triterpene compound which has anti-inflammatory activity through inhibiting the expression of COX-2. β-Amyrone has antifungal activity , as well as antiviral activity against Chikungunya virus. β-Amyrone also inhibits α-glucosidase and acetylcholinesterase (AChE) activity. β-Amyrone can be used in the research of disease like inflammation, infection, and obesity[1][2][3][4]. β-Amyrone (β-Amyron) is a triterpene compound which has anti-inflammatory activity through inhibiting the expression of COX-2. β-Amyrone has antifungal activity , as well as antiviral activity against Chikungunya virus. β-Amyrone also inhibits α-glucosidase and acetylcholinesterase (AChE) activity. β-Amyrone can be used in the research of disease like inflammation, infection, and obesity[1][2][3][4].
[(2R)-3-carboxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxypropyl]-trimethylazanium
[(2R)-3-carboxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(10E,12E)-octadeca-10,12-dienoyl]oxypropyl]-trimethylazanium
propan-2-yl (E)-7-[3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoate
[3-carboxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(9E,11E)-octadeca-9,11-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(6E,9E)-octadeca-6,9-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,4E)-octadeca-2,4-dienoyl]oxypropyl]-trimethylazanium
[3-Carboxy-2-[9-(3-methyl-5-propylfuran-2-yl)nonanoyloxy]propyl]-trimethylazanium
[3-Carboxy-2-[5-(5-heptyl-3-methylfuran-2-yl)pentanoyloxy]propyl]-trimethylazanium
[3-Carboxy-2-[7-(3-methyl-5-pentylfuran-2-yl)heptanoyloxy]propyl]-trimethylazanium
[3-Carboxy-2-[8-(5-pentylfuran-2-yl)octanoyloxy]propyl]-trimethylazanium
3-Carboxy-N,N,N-trimethyl-2-[(octadeca-9,12-dienoyl)oxy]propan-1-aminium
[3-carboxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxypropyl]-trimethylazanium
[1-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propan-2-yl] pentanoate
[1-[(11Z,14Z)-henicosa-11,14-dienoxy]-3-hydroxypropan-2-yl] acetate
[1-hydroxy-3-[(9Z,12Z)-nonadeca-9,12-dienoxy]propan-2-yl] butanoate
[1-[(9Z,12Z)-heptadeca-9,12-dienoxy]-3-hydroxypropan-2-yl] hexanoate
[1-hydroxy-3-[(11Z,14Z)-icosa-11,14-dienoxy]propan-2-yl] propanoate
[1-[(9Z,12Z)-hexadeca-9,12-dienoxy]-3-hydroxypropan-2-yl] heptanoate
(1-hydroxy-3-propanoyloxypropan-2-yl) (9Z,12Z)-nonadeca-9,12-dienoate
(1-acetyloxy-3-hydroxypropan-2-yl) (11Z,14Z)-icosa-11,14-dienoate
(1-hydroxy-3-pentanoyloxypropan-2-yl) (9Z,12Z)-heptadeca-9,12-dienoate
(1-hexanoyloxy-3-hydroxypropan-2-yl) (9Z,12Z)-hexadeca-9,12-dienoate
(1-butanoyloxy-3-hydroxypropan-2-yl) (9Z,12Z)-octadeca-9,12-dienoate
4alpha,14alpha-dimethyl-24-methylene-cholest-7,9(11)-dien-3beta-ol
LSM(15:0)
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(2r,4r,6r,7r,10r,11r,16r)-6-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadec-1(18)-ene-14,17-dione
(2r,4s,4ar,6ar,6br,8as,12as,12br,14ar,14br)-4-hydroxy-2,4a,6a,8a,12b,14a-hexamethyl-9-methylidene-2,4,5,6,6b,7,8,12,12a,13,14,14b-dodecahydro-1h-picen-3-one
12,16-dimethyl-15-(5,5,6-trimethylhept-6-en-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one
(2e)-n-[(1s,3br,7s,9ar,9bs,11ar)-1-[(1s)-1-(dimethylamino)ethyl]-9a,11a-dimethyl-1h,2h,3bh,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]-2-methylbut-2-enimidic acid
(6br,8ar,12ar,14ar)-4,4,6b,8a,11,11,12b,14a-octamethyl-2,6,6a,7,8,9,10,12,12a,13,14,14b-dodecahydro-1h-picen-3-one
(1r,3as,5ar,9ar,11ar)-3a,6,6,9a,11a-pentamethyl-1-[(2s,3e)-6-methylhept-3-en-2-yl]-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-one
4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
3-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-1h,2h,3h,4h,5h,7h,7ah,9h,10h,11h,13h,13bh-cyclopenta[a]chrysen-1-ol
methyl (2s)-2-[(3s,6s)-6-{2-[(1s,2r,4ar,8ar)-2-hydroxy-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalen-1-yl]ethyl}-6-methyl-1,2-dioxan-3-yl]propanoate
(6as,6bs,8ar,12ar,12bs,14as,14bs)-4,4,6b,8a,11,11,12b,14a-octamethyl-2,6,6a,7,8,9,10,12,12a,13,14,14b-dodecahydro-1h-picen-3-one
(4ar,4br,6ar,7r,10ar)-7-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-4a,6a-dimethyl-3h,4h,4bh,5h,6h,7h,8h,9h,11h-indeno[1,7a-a]naphthalene-2,10,12-trione
n-{9a,11a-dimethyl-1-[1-(methylamino)ethyl]-6-oxo-1h,2h,3h,3ah,3bh,4h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl}-2-methylbut-2-enimidic acid
(3ar,5ar,5br,11ar)-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)-tetradecahydro-1h-cyclopenta[a]chrysen-9-one
(4ar,6bs,8as,12as,12bs,14ar,14br)-4,4,6b,8a,9,9,12b,14b-octamethyl-2,4a,5,7,8,10,11,12,12a,13,14,14a-dodecahydro-1h-picen-3-one
4,4,6b,8a,11,12,12b,14b-octamethyl-1,2,4a,5,6,7,8,9,10,11,12,12a,13,14-tetradecahydropicen-3-one
(3s,3as,5ar,5br,7as,11as,11br,13as,13br)-5a,5b,8,8,11a-pentamethyl-3-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysene-13b-carbaldehyde
3-isopropyl-5a,5b,8,8,11a,13b-hexamethyl-1h,2h,4h,5h,6h,7h,7ah,10h,11h,11bh,12h,13h,13ah-cyclopenta[a]chrysen-9-one
(1r,3r,6s,16r)-7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadec-10-en-6-ol
3-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-1h,2h,3h,4h,5h,5bh,7h,7ah,9h,10h,11h,13h,13bh-cyclopenta[a]chrysen-6-one
1-{2-[2-(5,6-dimethylhept-3-en-2-yl)-1-methyl-5-oxocyclopentyl]ethyl}-8a-methyl-7,8-dihydro-1h-naphthalene-2,6-dione
3a,6,6,9a,11a-pentamethyl-1-(6-methylhept-5-en-2-yl)-1h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-2-one
(3as,5ar,9ar,9br)-3a,3b,6,6,9a-pentamethyl-1-[(2s)-6-methylhept-5-en-2-yl]-2h,3h,4h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
(1r,5r,6r,9s,10s,13s,15s)-6-[(2r,3e,5s)-5-ethyl-6-methylhept-3-en-2-yl]-5,9-dimethylpentacyclo[11.4.1.0¹,¹³.0²,¹⁰.0⁵,⁹]octadec-2-en-15-ol
(1r,3ar,7s,9as,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-7-hydroxy-9a,11a-dimethyl-1h,2h,3ah,6h,7h,8h,9h,10h,11h-cyclopenta[a]phenanthrene-3,4-dione
(1r,3as,3bs,7s,9ar,9bs,11ar)-1-[(2r,3e,5r)-5-ethyl-6-methylideneoct-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol
(1r,3ar,3br,5ar,9ar,9br,11ar)-3a,3b,6,6,9a-pentamethyl-1-(6-methylhepta-1,5-dien-2-yl)-dodecahydrocyclopenta[a]phenanthren-7-one
6-(5-ethyl-6-methylhept-3-en-2-yl)-5,9-dimethylpentacyclo[11.4.1.0¹,¹³.0²,¹⁰.0⁵,⁹]octadec-2-en-15-ol
4,4,6b,8a,9,9,12b,14b-octamethyl-2,4a,5,7,8,10,11,12,12a,13,14,14a-dodecahydro-1h-picen-3-one
(6as)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,6,7,8,8a,10,11,12,12b,13-dodecahydropicen-5-one
(3s,3as,5bs,11as,13ar)-3-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-1h,2h,3h,4h,5h,5bh,6h,7h,7ah,10h,11h,13h,13bh-cyclopenta[a]chrysen-9-one
(4ar,6ar,6bs,8as,12ar,14ar,14br)-3-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,4a,5,6,7,8a,9,10,12,12a,14,14a-dodecahydropicene-2,8-dione
(5ar,5br,7ar,11ar,11br,13as,13br)-3-isopropyl-5a,5b,8,8,11a,13b-hexamethyl-1h,2h,4h,5h,6h,7h,7ah,10h,11h,11bh,12h,13h,13ah-cyclopenta[a]chrysen-9-one
(4as,6ar,6bs,8ar,12ar,14as,14br)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1h-picen-3-one
(6ar,6bs,8ar,12as,12br,14ar)-4,4,6b,8a,11,11,12b,14a-octamethyl-2,5,6,6a,7,8,9,10,12,12a,13,14-dodecahydro-1h-picen-3-one
(3as,5ar,5br,7ar,11ar,11br,13ar,13br)-1-isopropyl-3a,5a,5b,8,8,11a-hexamethyl-3h,4h,5h,6h,7h,7ah,10h,11h,11bh,12h,13h,13ah,13bh-cyclopenta[a]chrysen-9-one
(3r,8s,11s,12s,16r)-15-(5,6-dimethylhept-6-en-2-yl)-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-one
4-hydroxy-2,4a,6a,8a,12b,14a-hexamethyl-9-methylidene-2,4,5,6,6b,7,8,12,12a,13,14,14b-dodecahydro-1h-picen-3-one
12-(2-hydroxy-3,5-dimethylphenyl)-6,10-dimethyl-2-(4-methylpent-3-en-1-yl)dodeca-2,6,10-trienoic acid
3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)-tetradecahydro-1h-cyclopenta[a]chrysen-9-one
(1r,3ar,5as,5br,7ar,9s,11ar,11bs,13bs)-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)-1h,2h,3h,4h,5h,6h,7h,7ah,9h,10h,11h,11bh,12h,13bh-cyclopenta[a]chrysen-9-ol
4,4,6a,6b,9,9,12a,14b-octamethyl-2,4a,5,6,7,10,11,12,12b,13,14,14a-dodecahydro-1h-picen-3-one
(3s,4ar,6ar,6bs,8ar,12r,12ar,14ar,14br)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
(1s,3r,6r,7r,10r,11r)-6-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadec-15-ene-14,17-dione
(1r,3ar,5ar,5br,7ar,11ar,11br,13ar,13bs)-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)-tetradecahydro-1h-cyclopenta[a]chrysen-9-one
(3r,3ar,5ar,5bs,7as,11as,11br,13as,13br)-3-isopropyl-3a,5a,7a,11b,13a-pentamethyl-1h,2h,3h,4h,5h,5bh,6h,7h,10h,11h,11ah,12h,13h,13bh-cyclopenta[a]chrysene-8-carbaldehyde
1-(furan-3-yl)-3b,6,6,9a,11a-pentamethyl-1h,2h,3h,3ah,4h,5h,5ah,7h,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl acetate
3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)-1h,4h,5h,6h,7h,7ah,9h,10h,11h,11bh,12h,13h,13ah,13bh-cyclopenta[a]chrysen-9-ol
(1r,3ar,5ar,5br,9s,11as,11br,13ar,13br)-3a,5a,5b,8,8,11a-hexamethyl-1-(prop-1-en-2-yl)-1h,2h,3h,4h,5h,6h,7h,7ah,9h,10h,11h,11bh,13ah,13bh-cyclopenta[a]chrysen-9-ol
(1s,3ar,5ar,5br,7as,11as,11bs,13as,13bs)-1-isopropyl-3a,5a,5b,8,8,11a-hexamethyl-1h,2h,3h,4h,5h,6h,7h,7ah,11bh,12h,13h,13ah,13bh-cyclopenta[a]chrysen-11-one
(1r,3as,5ar,9ar,11ar)-3a,6,6,9a,11a-pentamethyl-1-[(2s)-6-methylhept-3-en-2-yl]-1h,2h,3h,4h,5h,5ah,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-one
(2e)-n-[(1s,3as,3bs,9ar,9bs,11as)-9a,11a-dimethyl-1-[(1s)-1-(methylamino)ethyl]-6-oxo-1h,2h,3h,3ah,3bh,4h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]-2-methylbut-2-enimidic acid
1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2h-2,4-methanophthalene
{"Ingredient_id": "HBIN001019","Ingredient_name": "1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2h-2,4-methanophthalene","Alias": "NA","Ingredient_formula": "C25H44O5","Ingredient_Smile": "CC1CCC2C(CCCC2(C1(CCC3(CCC(O3)C(C)(C(=O)OC)O)C)O)C)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31098","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
19α-hydroxyferna-7,9(11)-diene
{"Ingredient_id": "HBIN002171","Ingredient_name": "19\u03b1-hydroxyferna-7,9(11)-diene","Alias": "NA","Ingredient_formula": "C30H48O","Ingredient_Smile": "CC(C)C1CC(C2C1(CCC3(C2(CC=C4C3=CCC5C4(CCCC5(C)C)C)C)C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10118","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-friedelen-3-one
{"Ingredient_id": "HBIN002547","Ingredient_name": "1-friedelen-3-one","Alias": "1-friedelen 3-one","Ingredient_formula": "C30H48O","Ingredient_Smile": "CC1C(=O)C=CC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7952;30979","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
25-Nor-5(10)-dehydroisokarounidiol
{"Ingredient_id": "HBIN004692","Ingredient_name": "25-Nor-5(10)-dehydroisokarounidiol","Alias": "(3R,6aS,6bS,8aS,11R,12aR)-4,4,6a,6b,8a,11-hexamethyl-11-methylol-2,3,7,8,9,10,12,12a,13,14-decahydro-1H-picen-3-ol; (3R,6aS,6bS,8aS,11R,12aR)-11-(hydroxymethyl)-4,4,6a,6b,8a,11-hexamethyl-2,3,7,8,9,10,12,12a,13,14-decahydro-1H-picen-3-ol; AIDS-113416; AIDS113416; (3R,6bS,8aS,11R,12aR,12bS)-11-Hydroxymethyl-4,4,6b,8a,11,12b-hexamethyl-1,2,3,4,6b,7,8,8a,9,10,11,12,12a,12b,13,14-hexadecahydro-picen-3-ol","Ingredient_formula": "C29H44O2","Ingredient_Smile": "CC1(C(CCC2=C1C=CC3=C2CCC4(C3(CCC5(C4CC(CC5)(C)CO)C)C)C)O)C","Ingredient_weight": "424.7 g/mol","OB_score": "20.65665518","CAS_id": "NA","SymMap_id": "SMIT13130","TCMID_id": "NA","TCMSP_id": "MOL012370","TCM_ID_id": "NA","PubChem_id": "489922","DrugBank_id": "NA"}
2,8-dimethyl-2-[(3 e,7 e)-4,8,12-trimethyltrideca-3,7,11-trienyl]-5-formyl-chroman-6-ol
{"Ingredient_id": "HBIN005054","Ingredient_name": "2,8-dimethyl-2-[(3 e,7 e)-4,8,12-trimethyltrideca-3,7,11-trienyl]-5-formyl-chroman-6-ol","Alias": "NA","Ingredient_formula": "C28H40O3","Ingredient_Smile": "CC1=CC(=C(C2=C1OC(CC2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6414","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,8-dimethyl-2-[(3 e,7 e)-4,8,12-trimethyltrideca-3,7,11-trienyl]-7-formyl-chroman-6-ol
{"Ingredient_id": "HBIN005055","Ingredient_name": "2,8-dimethyl-2-[(3 e,7 e)-4,8,12-trimethyltrideca-3,7,11-trienyl]-7-formyl-chroman-6-ol","Alias": "NA","Ingredient_formula": "C28H40O3","Ingredient_Smile": "CC1=C2C(=CC(=C1C=O)O)CCC(O2)(C)CCC=C(C)CCC=C(C)CCC=C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6415","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
28-nor-β-amyrenone
{"Ingredient_id": "HBIN005067","Ingredient_name": "28-nor-\u03b2-amyrenone","Alias": "NA","Ingredient_formula": "C30H48O","Ingredient_Smile": "CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1)C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37302","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3β-hydroxy-olean-9(11),12-diene
{"Ingredient_id": "HBIN008254","Ingredient_name": "3\u03b2-hydroxy-olean-9(11),12-diene","Alias": "NA","Ingredient_formula": "C30H48O","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10548","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4,14-dimethyl-9,19-cycloergost-25-en-3-ol,9ci; (3α,4β,5α)-form,3-ketone
{"Ingredient_id": "HBIN009816","Ingredient_name": "4,14-dimethyl-9,19-cycloergost-25-en-3-ol,9ci; (3\u03b1,4\u03b2,5\u03b1)-form,3-ketone","Alias": "NA","Ingredient_formula": "C30H48O","Ingredient_Smile": "NA","Ingredient_weight": "424.7","OB_score": "NA","CAS_id": "2315-18-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7940","PubChem_id": "NA","DrugBank_id": "NA"}
7-multifloren-3-ol; 3β-form,3-ketone
{"Ingredient_id": "HBIN013369","Ingredient_name": "7-multifloren-3-ol; 3\u03b2-form,3-ketone","Alias": "NA","Ingredient_formula": "C30H48O","Ingredient_Smile": "NA","Ingredient_weight": "424.7","OB_score": "NA","CAS_id": "5945-53-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7430","PubChem_id": "NA","DrugBank_id": "NA"}
9(11)-fernen-12-one
{"Ingredient_id": "HBIN013970","Ingredient_name": "9(11)-fernen-12-one","Alias": "NA","Ingredient_formula": "C30H48O","Ingredient_Smile": "NA","Ingredient_weight": "424.7","OB_score": "NA","CAS_id": "58207-92-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7321","PubChem_id": "NA","DrugBank_id": "NA"}
antiquol c
{"Ingredient_id": "HBIN016384","Ingredient_name": "antiquol c","Alias": "NA","Ingredient_formula": "C30H48O","Ingredient_Smile": "CC(CCC=C(C)C)C1CCC2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)O)C)C)C","Ingredient_weight": "424.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1464","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102024455","DrugBank_id": "NA"}
arborinone
{"Ingredient_id": "HBIN016598","Ingredient_name": "arborinone","Alias": "NA","Ingredient_formula": "C30H48O","Ingredient_Smile": "CC(C)C1CCC2C1(CCC3(C2(CC=C4C3CCC5C4(CCC(=O)C5(C)C)C)C)C)C","Ingredient_weight": "424.7","OB_score": "NA","CAS_id": "25465-81-0","SymMap_id": "NA","TCMID_id": "1616","TCMSP_id": "NA","TCM_ID_id": "6714;21649","PubChem_id": "12305183","DrugBank_id": "NA"}
