Exact Mass: 248.1696
Exact Mass Matches: 248.1696
Found 500 metabolites which its exact mass value is equals to given mass value 248.1696,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pindolol
Pindolol is only found in individuals that have used or taken this drug. It is a moderately lipophilic beta blocker (adrenergic beta-antagonists). It is non-cardioselective and has intrinsic sympathomimetic actions, but little membrane-stabilizing activity. (From Martindale, The Extra Pharmocopoeia, 30th ed, p638)Pindolol non-selectively blocks beta-1 adrenergic receptors mainly in the heart, inhibiting the effects of epinephrine and norepinephrine resulting in a decrease in heart rate and blood pressure. By binding beta-2 receptors in the juxtaglomerular apparatus, Pindolol inhibits the production of renin, thereby inhibiting angiotensin II and aldosterone production and therefore inhibits the vasoconstriction and water retention due to angiotensin II and aldosterone, respectively. C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents CONFIDENCE standard compound; INTERNAL_ID 4098 CONFIDENCE standard compound; INTERNAL_ID 2663 Pindolol (LB-46) is a nonselective β-blocker with partial beta-adrenergic receptor agonist activity, also functions as a 5-HT1A receptor weak partial antagonist (Ki=33nM).
lupanine
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 56 INTERNAL_ID 56; CONFIDENCE Reference Standard (Level 1) CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 42 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 35 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 27 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 20 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 12 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 5 alpha-Isolupanine is a natural product found in Listia bainesii, Thermopsis chinensis, and other organisms with data available.
Matrine
Matrine is an alkaloid. Matrine is a natural product found in Daphniphyllum oldhamii, Sophora viciifolia, and other organisms with data available. Matrine is an alkaloid found in plants from the Sophora genus. It has a variety of pharmacological effects, including anti-cancer effects, and action as a kappa opioid receptor and μ-receptor agonist. Tetracyclic bis-quinolizidine alkaloids found in the family LEGUMINOSAE, mainly in the genus SOPHORA. See also: Matrine; salicylic acid (component of). Annotation level-1 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.230 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.224 Sophoridine is a natural product found in Sophora viciifolia, Leontice leontopetalum, and other organisms with data available. Tetracyclic bis-quinolizidine alkaloids found in the family LEGUMINOSAE, mainly in the genus SOPHORA. INTERNAL_ID 2268; CONFIDENCE Reference Standard (Level 1) CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2268 Matrine (Matridin-15-one) is an alkaloid found in plants from the Sophora genus that can act as a kappa opioid receptor and u-receptor agonist. Matrine has a variety of pharmacological effects, including anti-cancer, anti-oxidative stress, anti-inflammation and anti-apoptosis effects. Matrine is potential in the research of disease like human non-small cell lung cancer, hepatoma, papillary thyroid cancer and acute kidney injury (AKI)[1][2][3][4][5]. Matrine (Matridin-15-one) is an alkaloid found in plants from the Sophora genus that can act as a kappa opioid receptor and u-receptor agonist. Matrine has a variety of pharmacological effects, including anti-cancer, anti-oxidative stress, anti-inflammation and anti-apoptosis effects. Matrine is potential in the research of disease like human non-small cell lung cancer, hepatoma, papillary thyroid cancer and acute kidney injury (AKI)[1][2][3][4][5]. Matrine (Matridin-15-one) is an alkaloid found in plants from the Sophora genus that can act as a kappa opioid receptor and u-receptor agonist. Matrine has a variety of pharmacological effects, including anti-cancer, anti-oxidative stress, anti-inflammation and anti-apoptosis effects. Matrine is potential in the research of disease like human non-small cell lung cancer, hepatoma, papillary thyroid cancer and acute kidney injury (AKI)[1][2][3][4][5]. Sophoridine is a quinolizidine alkaloid isolated from Leguminous plant Sophora flavescens. Sophoridine induces apoptosis. Sophoridine has the potential to be a novel, potent and selective antitumor agent candidate for pancreatic cancer with well-tolerated toxicity[1]. Sophoridine is a quinolizidine alkaloid isolated from Leguminous plant Sophora flavescens. Sophoridine induces apoptosis. Sophoridine has the potential to be a novel, potent and selective antitumor agent candidate for pancreatic cancer with well-tolerated toxicity[1].
17-Oxosparteine
Glechomafuran
Constituent of spinach leaves (Spinacia oleracea). Mono-trans-p-coumaroylmesotartaric acid is found in green vegetables and spinach. Glechomafuran is found in green vegetables. Glechomafuran is a constituent of Smyrnium olusatrum (alexanders).
(S)-Pterosin A
(S)-Pterosin A is found in green vegetables. (S)-Pterosin A is a constituent of Pteridium aquilinum (bracken fern)
4-Epiisoinuviscolide
4-Epiisoinuviscolide is found in herbs and spices. 4-Epiisoinuviscolide is a constituent of Inula helenium (elecampane) Constituent of Inula helenium (elecampane). 4-Epiisoinuviscolide is found in herbs and spices.
Desacetyllaurenobiolide
Desacetyllaurenobiolide is found in herbs and spices. Desacetyllaurenobiolide is a constituent of Artemisia species. Constituent of Artemisia subspecies Desacetyllaurenobiolide is found in sweet bay and herbs and spices.
Marasmen-3-one
Marasmen-3-one is found in mushrooms. Marasmen-3-one is a metabolite of Marasmius oreades (fairy ring mushroom Metabolite of Marasmius oreades (fairy ring mushroom). Marasmen-3-one is found in mushrooms.
1alpha-1-Hydroxy-2,4(18),11(13)-eudesmatrien-12-oic acid
1alpha-1-Hydroxy-2,4(18),11(13)-eudesmatrien-12-oic acid is a constituent of Artemisia vulgaris (mugwort). Constituent of Artemisia vulgaris (mugwort)
2-Phenylethyl octanoate
2-Phenylethyl octanoate is found in alcoholic beverages. 2-Phenylethyl octanoate is found in wine and spirits. Found in wine and spirits
Furanofukinin
Constituent of Petasites japonicus (sweet coltsfoot). Furanofukinin is found in giant butterbur and green vegetables. Furanofukinin is found in giant butterbur. Furanofukinin is a constituent of Petasites japonicus (sweet coltsfoot).
Dimethylbenzyl carbinyl hexanoate
Dimethylbenzyl carbinyl hexanoate 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 .
[2-(Dimethoxymethyl)-1-heptenyl]benzene
[2-(Dimethoxymethyl)-1-heptenyl]benzene is a flavouring ingredien Flavouring ingredient
Octyl phenylacetate
Octyl phenylacetate is a flavouring ingredient. Flavouring ingredient
Bunitrolol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
(4E,7E,10E,13E)-Hexadeca-4,7,10,13-tetraenoic acid
ACETIC ACID, (2-(3,6-DIAMINO-5-HYDROXYHEXANOYL)-1-METHYLHYDRAZINO)-
2,6-dihydroxy-5-isopropyl-3,8-dimethyl-tetralin-1-one
Splendolide
cis-1,2,3,4,4a,5,6,7-Octahydro-4a,8-dimethyl-alpha-methylenenaphthaleneacetic acid methyl ester
1COOH-2But-A7EO2
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); Could be alkyl homologue of given structure; Digitised from figure: approximate intensities
(1S,5S,9R)-5-methoxycaryophylla-2(15),6(14)-dien-7-one
2-Hydroxy-3-methyl-5-(1,1,3,3-tetramethyl-butyl)-benzaldehyd|2-hydroxy-3-methyl-5-(1,1,3,3-tetramethyl-butyl)-benzaldehyde
1,3,4,5,6,6a,7,8,9,10,12,13-dodecahydro-2H-6,13-methano-dipyrido[1,2-a;3,2-e]azocin-5-ol|Nitraramin
5,6,7,8-Tetrahydro-4-methoxy-2,5-dimethyl-8-isopropyl-1-naphthol
(-)-multiflorine|(7S)-(7at,14ac)-Dodecahydro-7r,14c-methano-dipyrido[1,2-a;1,2-e][1,5]diazocin-2-on|(7S)-(7at,14ac)-dodecahydro-7r,14c-methano-dipyrido[1,2-a;1,2-e][1,5]diazocin-2-one|4-oxosparteine
(7Z,10Z,13Z)-hexadecatrien-16-olide|7Z,10Z,13Z-cyclohexadecatrien-16-olide
1beta-hydroxyeudesm-3-en-15,6alpha-olide|foveolide A
(1R,4S,5R,8S)-4-hydroxyguaia-7(11),10(15)-dien-12,8-olide|multistalactone E
(1beta,5beta)-1-hydroxyguaia-4(15),11(13)-dieno-12,5-lactone|rel-(4R,7S,7aS,10aS)-octahydro-7a-hydroxy-7-methyl-3,10-bis(methylene)-4,410a-methano-10aH-cyclopent[b]oxonin-2(3H)-one
(3aR?,4aR?,8aR?,9aR?)-4a-hydroxy-8a-methyl-3,8-dimethylene-3,3a,4,4a,5,6,7,8a,9,9a-decahydro-naphtho[2,3-b]furan-2-one|(5R?,7R?,8R?,10R?)-1,15-methylene-5beta-hydroxy-eudesm-1(15),11(13)-dien-8beta-12-olide|inuloxin C
14-acetoxy-11,11-dimethylbicyclo[8.1.0]undeca-4Z(5),10Z(1)-diene|volvalerenal F
(3aR?,7aR?)-6-(5-hydroxyhexan-2-yl)-3-methylen-3a,4,7,7a-tetrahydrobenzofuran-2(3H)-one|(4S, 7R?,8R?)-1,4-dimethyl-4-hydroxy-secoeudesm-5(10),11(13)-dien-8beta-12-olide|inuloxin D
(2S,4R,5S,6R,7R,9S)-2,9-dihydroxy-1(10)-aromadendren-14-oic acid 2,14-lactone
2-(3-hydroxy-3-methylbutyl)-4-(3-methylbut-2-enyl)phenol
(3alpha,7??H)-3,12-Dihydroxy-9,11(13)-eremophiladien-8-one
15-Aldehyde-15-Hydroxy-3,11(13)-eudesmadien-12-oic acid
2-O-(13-tetradecene-2,4-diynyl)-1,2-ethanediol|dihomomontiporyne H
Allomatrine
Allomatrine is a natural product found in Gymnospermium albertii, Sophora flavescens, and other organisms with data available. Allomatrine ((+)-Allomatrine) is an alkaloid from the bark of Sophora japonica. Allomatrine has antinociceptive properties mediated mainly through the activation ofκ-opioid receptors[1][2]. Allomatrine ((+)-Allomatrine) is an alkaloid from the bark of Sophora japonica. Allomatrine has antinociceptive properties mediated mainly through the activation ofκ-opioid receptors[1][2].
Lupanin
Lupanine is the delta-lactam obtained by formal oxidation at the 2-position of sparteine. The major alkaloid from the seeds of Lupinus exaltatus, L. mexicanus and L. rotundiflorus, it is among the most important of the tetracyclic quinolizidine alkaloids. It is a quinolizidine alkaloid, a tertiary amine and a delta-lactam. It is a conjugate base of a lupanine(1+). It derives from a hydride of a sparteine. Lupanine is a natural product found in Leptolobium panamense, Ormosia fordiana, and other organisms with data available. See also: Cytisus scoparius flowering top (part of). The delta-lactam obtained by formal oxidation at the 2-position of sparteine. The major alkaloid from the seeds of Lupinus exaltatus, L. mexicanus and L. rotundiflorus, it is among the most important of the tetracyclic quinolizidine alkaloids.
MLS001048956-01!1-(6-methylsulfinylhexyl)-3-propan-2-ylurea
pindolol
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Pindolol (LB-46) is a nonselective β-blocker with partial beta-adrenergic receptor agonist activity, also functions as a 5-HT1A receptor weak partial antagonist (Ki=33nM).
2-Piperidinecarboxamide, N-(3-hydroxy-2,6-dimethylphenyl)-, (S)-
4-Nonylphenylboronic acid
FAAH/MAGL-IN-4 (Compound 13) is a potent fatty acid amide hydrolase (FAAH) and monoglyceride lipase (MGL) inhibitor with IC50s of 9.1 nM and 7.9 μM, respectively. FAAH/MAGL-IN-4 can be used for the research of pain and CNS disorders[1].
trimecaine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
TERT-BUTYL (1,2,3,4-TETRAHYDROQUINOLIN-3-YL)CARBAMATE
1-(n-benzyloxycarbonyl)-trans-cyclohexane-1,2-diamine
butan-1-ol,2-methyloxirane,oxirane,prop-2-enoic acid
tert-butyl 5,6,7,8-tetrahydroquinolin-8-ylcarbamate
6-(Dimethylamino)pyridine-3-boronic acid pinacol ester
3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheno l
1,3-Bis(3-aminopropyl)-1,1,3,3-tetramethyldisiloxane
ethyl 1-(pyridin-2-ylmethyl)piperidine-4-carboxylate
TERT-BUTYL (1,2,3,4-TETRAHYDROQUINOLIN-4-YL)CARBAMATE
5-Methyl-6-(methylamino)pyridine-3-boronic acid pinacol ester
N-(4-HYDROXY-3-(1-PIPERIDINYLMETHYL) PHENYL)ACETAMIDE
N-(cyclopropylmethyl)-3-methyl-4-nitro-N-propylaniline
TERT-BUTYL 4-AMINO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE
4-HYDROXY-3,5-DIMETHYLPHENYLBORONIC ACID PINACOL ESTER
3-AMINO-1-BENZYL-PIPERIDINE-3-CARBOXYLIC ACID METHYL ESTER
9,10-Dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
2-Methyl-2-propanyl 5,6,7,8-tetrahydro-9H-pyrido[2,3-b]azepine-9- carboxylate
Carbamic acid, (4-aminocyclohexyl)-, phenylmethyl ester (9CI)
tert-Butyl 4-amino-3,4-dihydroquinoline-1(2H)-carboxylate
1-(4-(4-AMINO-3-METHOXYPHENYL)PIPERIDIN-1-YL)ETHANONE
4-(4-HYDROXY-PIPERIDIN-1-YL)-BENZIMIDIC ACID ETHYL ESTER
4-(Hydroxymethyl)-3-methylphenylboronic Acid Pinacol Ester
4-Amino-3-methyl-1-piperidinecarboxylic acid benzyl ester
1-Pyrrolidinecarboxylic acid, 3-(4-pyridinyl)-, 1,1-dimethylethyl ester
tert-Butyl 5-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate
TERT-BUTYL (1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)CARBAMATE
3-(4-METHYL-[1,4]DIAZEPAN-1-YLMETHYL)-BENZOIC ACID
N-[(4-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
7,14-Methano-2H,6H-dipyrido[1,2-a:1,2-e][1,5]diazocin-6-one,dodecahydro-, (7R,7aR,14S,14aS)-
benzyl (3R)-3-(dimethylamino)pyrrolidine-1-carboxylate
2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethanol
Acetamide,N,N-[(4,6-dimethyl-1,3-phenylene)bis(methylene)]bis- (9CI)
ETHYL 4-(PYRIDIN-4-YLMETHYL)PIPERAZINE-1-CARBOXYLATE
N-[4-[3-(dimethylamino)-2-methylpropanoyl]phenyl]acetamide
2-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
1-(4-(4-(2-Hydroxyethyl)piperazin-1-yl)phenyl)ethanone
(4-ETHOXY-BENZYL)-(1-METHYL-1H-BENZOIMIDAZOL-5-YL)-AMINE
tert-butyl 3-(5-methylpyridin-2-yl)azetidine-1-carboxylate
5-AMino-2-Methyl-piperidine-1-carboxylic acid benzyl ester
tert-butyl 7-(aminomethyl)-2,3-dihydroindole-1-carboxylate
tert-butylmethyl((5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)methyl)carbamate
7-Methyl-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester
benzyl (3S)-3-(dimethylamino)pyrrolidine-1-carboxylate
L-NMMA acetate
C471 - Enzyme Inhibitor > C29574 - Nitric Oxide Synthase Inhibitor
Piperidin-3-ylmethyl-carbamic acid benzyl ester hydrochloride
tert-butyl 5-(aminomethyl)-2,3-dihydro-1H-isoindole-2-carboxylate
(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-5-YL)-CARBAMIC ACID TERT-BUTYL ESTER
tert-Butyl 7-amino-3,4-dihydroquinoline-1(2H)-carboxylate
TERT-BUTYL 1,2,3,4-TETRAHYDROISOQUINOLIN-7-YLCARBAMATE
(2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol
(2S,5R)-Benzyl 5-amino-2-methylpiperidine-1-carboxylate hydrochloride
1-Piperidinecarboxylic acid, 3-amino-2-methyl-, phenylmethyl ester, (2R,3R)-
3-Methoxy-4-methylphenylboronic acid, pinacol ester
2-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ETHANOL
1-Piperidinecarboxylic acid, 5-amino-2-Methyl-, phenylmethyl est
tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate
(5-AMINO-INDAN-2-YL)-CARBAMIC ACID TERT-BUTYL ESTER
4-[2-(4-Methyl-piperazin-1-yl)-ethoxy]-benzaldehyde
1-Cyclobutyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
1-(Cyclopropylmethyl)-1H-pyrazole-4-boronic acid pinacol ester
1-(2-FURYLMETHYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
6-(Ethylamino)pyridine-3-boronic acid pinacol ester
3-(METHOXYMETHYL)PHENYLBORONIC ACID, PINACOL ESTER
tert-Butyl 6-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate
3-Piperidinecarboxamide,N-(1-methylethyl)-1-(2-pyrimidinyl)-(9CI)
1-(4-AMINOMETHYL-PHENYL)-PIPERIDINE-4-CARBOXYLICACIDETHYLESTER
4-PIPERIDINECARBOXYLICACID, 1-(4-PYRIDINYLMETHYL)-, ETHYL ESTER
tert-butyl 3-(4-aminophenyl)azetidine-1-carboxylate
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
Etryptamine Acetate
C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
(4E,7E,10E,13E)-Hexadeca-4,7,10,13-tetraenoic acid
(S)-(-)-pindolol
l-Pindolol ((-)-pindolol) is a reversible, competitive and orally active 5-HT1A/1B antagonist. l-Pindolol is a partial β-adrenoceptor agonist. l-Pindolol can be used for the research of neurological disease[1][2][3].
2-Hexyloxy-6-hydroxymethyl-tetrahydro-pyran-3,5-diol
(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoic acid
A polyunsaturated fatty acid that is hexadecanoic acid with unsaturation at positions 4, 7, 10 and 13. It is found in Daphnia galeata.
Diaminomethylidene-[3-(2-methyl-1-oxopyrrolo[1,2-a]pyrazin-3-yl)propyl]azanium
[(2R)-3-carboxy-2-[(3-hydroxybutanoyl)oxy]propyl]trimethylazanium
[(2S)-3-carboxy-2-[(3R)-3-hydroxybutanoyl]oxypropyl]-trimethylazanium
(10S)-7,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
[3-Carboxy-2-(3-hydroxybutanoyloxy)propyl]-trimethylazanium
(7Z,9Z,11E,13E)-hexadeca-7,9,11,13-tetraenoic acid
3-Methyl-1-(p-tolyl)-2-(trimethylsilyloxy)-2-butene
[3-Hydroxy-2-isopropenyl-3-phenylpropyl]trimethylsilane
(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoic acid
7,14-Methano-2H,6H-dipyrido[1,2-a:1,2-E][1,5]diazocin-6-one, dodecahydro-, [7R-(7alpha,7aalpha,14alpha,14abeta)]-
Bunitrolol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
n-(5,7a-dimethyl-1-oxo-6,7-dihydro-5h-pyrrolizin-3-yl)-3-methylbut-2-enamide
(1r,2r,9s,10s)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-8-one
methyl (1s,2s,5s,8r)-2,6,8-trimethyltricyclo[6.3.0.0¹,⁵]undec-6-ene-5-carboxylate
(1r,2r,9r)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-8-one
methyl (2z,4e)-3-methyl-5-[(1r)-2,6,6-trimethylcyclohex-2-en-1-yl]penta-2,4-dienoate
(1r,4z,9r)-4-(methoxymethyl)-11,11-dimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-3-one
1-isopropyl-6-methoxy-4,7-dimethyl-3,4-dihydro-2h-naphthalen-1-ol
4-methoxy-5-methyl-2-[(1s)-1,2,2-trimethylcyclopentyl]phenol
11-(but-3-en-1-yl)-2,11-diazatricyclo[7.3.1.0²,⁷]tridecan-8-one
methyl 2-[(2r,4ar,8as)-4a-methyl-8-methylidene-octahydronaphthalen-2-yl]prop-2-enoate
3,6,6a,9-tetramethyl-3h,3ah,4h,5h,6h,7h,8h-naphtho[4a,4-b]furan-2-one
(1r,4s)-1-isopropyl-6-methoxy-4,7-dimethyl-3,4-dihydro-2h-naphthalen-1-ol
(1s,2r,9r,10s)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-8-one
(1r,9s)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-6-one
(1r,2r,9r)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-6-one
7,7,10a-trimethyl-1h,4h,6h,6ah,8h,9h,10h,10bh-naphtho[2,1-c]pyran-2-one
(2z)-2-methyl-3-(1,3,7-trimethyl-2,4,5,6,7,7a-hexahydro-1h-inden-4-yl)prop-2-enoic acid
(1s,2s,9r,17s)-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecan-6-one
(5s,8r)-8-isopropyl-4-methoxy-2,5-dimethyl-5,6,7,8-tetrahydronaphthalen-1-ol
(1r,2r,9s,10r)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-8-one
methyl (2e)-5-[(4r)-4-isopropylcyclohexa-1,5-dien-1-yl]-2-methylpent-2-enoate
(1s,2s,9s,10r)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-6-one
aphylline
{"Ingredient_id": "HBIN016405","Ingredient_name": "aphylline","Alias": "NA","Ingredient_formula": "C15H24N2O","Ingredient_Smile": "C1CCN2CC3CC(C2C1)C(=O)N4C3CCCC4","Ingredient_weight": "248.36 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1474","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "118701428","DrugBank_id": "NA"}
