Exact Mass: 291.2198174
Exact Mass Matches: 291.2198174
Found 252 metabolites which its exact mass value is equals to given mass value 291.2198174,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Penbutolol
Penbutolol is only found in individuals that have used or taken this drug. It is a medication in the class of beta blockers, used in the treatment of high blood pressure. [Wikipedia]Penbutolol competes with adrenergic neurotransmitters such as catecholamines for binding at beta(1)-adrenergic receptors in the heart and vascular smooth muscle and beta(2)-receptors in the bronchial and vascular smooth muscle. Beta(1)-receptor blockade results in a decrease in resting and exercise heart rate and cardiac output, a decrease in both systolic and diastolic blood pressure, and, possibly, a reduction in reflex orthostatic hypotension. 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 D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
Terbinafine
Terbinafine hydrochloride (Lamisil) is a synthetic allylamine antifungal. It is highly lipophilic in nature and tends to accumulate in skin, nails, and fatty tissues. Like other allylamines, terbinafine inhibits ergosterol synthesis by inhibiting the fungal squalene monooxygenase (squalene 2,3-epoxidase), an enzyme that is part of the fungal cell wall synthesis pathway. D - Dermatologicals > D01 - Antifungals for dermatological use > D01B - Antifungals for systemic use > D01BA - Antifungals for systemic use D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE standard compound; INTERNAL_ID 2712 CONFIDENCE standard compound; INTERNAL_ID 8609 D004791 - Enzyme Inhibitors Terbinafine (TDT 067) is an orally active and potent antifungal agent. Terbinafine is a potent non-competitive inhibitor of squalene epoxidase from Candida, with a Ki of 30 nM. Terbinafine also shows antibacterial activity against certain Gram-positive and Gram-negative bacteria[1][2][3]. Terbinafine is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
Bunolol
C17H25NO3 (291.18343400000003)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
Cyclopentolate
C17H25NO3 (291.18343400000003)
Cyclopentolate is only found in individuals that have used or taken this drug. It is a parasympatholytic anticholinergic used solely to obtain mydriasis or cycloplegia. [PubChem]By blocking muscarinic receptors, cyclopentolate produces dilatation of the pupil (mydriasis) and prevents the eye from accommodating for near vision (cycloplegia). S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics C78283 - Agent Affecting Organs of Special Senses > C29706 - Mydriatic Agent
variotin
C17H25NO3 (291.18343400000003)
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AA - Antibiotics C254 - Anti-Infective Agent > C514 - Antifungal Agent Same as: D01458
Levobunolol
C17H25NO3 (291.18343400000003)
Levobunolol is only found in individuals that have used or taken this drug. It is a nonselective beta-adrenoceptor antagonist used in the treatment of glaucoma. [PubChem]Levobunolols mechanism of action in reducing IOP is not clearly defined, but is believed to be due to a reduction of the production of aqueous humor via blockage of endogenous catecholamine-stimulated increases in cyclic adenosine monophosphate (AMP) concentrations within the ciliary processes. S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01ED - Beta blocking agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists C78283 - Agent Affecting Organs of Special Senses > C29705 - Anti-glaucoma Agent
Norcapsaicin
C17H25NO3 (291.18343400000003)
Isolated from the pungent principle of red pepper (Capsicum annuum). Norcapsaicin is found in many foods, some of which are herbs and spices, italian sweet red pepper, orange bell pepper, and red bell pepper. Norcapsaicin is found in herbs and spices. Norcapsaicin is isolated from the pungent principle of red pepper (Capsicum annuum
s-Triazine, 2-amino-4-((4-methyl-1-piperazinyl)methyl)-6-piperidino-
Exaprolol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
Ketocaine
C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Melitracen
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
Perlapine
N,6,6-Trimethyl-N-(1-naphthalenylmethyl)-1-hept-2-en-4-ynamine
12,13(S)-epoxylinolenate
12,13(s)-epoxylinolenate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 12,13(s)-epoxylinolenate can be found in a number of food items such as rice, wax apple, globe artichoke, and common walnut, which makes 12,13(s)-epoxylinolenate a potential biomarker for the consumption of these food products.
12-oxo-cis-10,15-phytodienoate
12-oxo-cis-10,15-phytodienoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 12-oxo-cis-10,15-phytodienoate can be found in a number of food items such as ginger, corn, moth bean, and boysenberry, which makes 12-oxo-cis-10,15-phytodienoate a potential biomarker for the consumption of these food products.
(2E,4E,8Z,11Z)-2-hydroxy-N-isobutyl-2,4,8,11-tetradecatetraenamide|(2E,4E,8Z,11Z)-N-(2-hydroxy-2-methylpropyl)-2,4,8,11-tetradecatetraenamide|bungeanool|N-(2-methyl-2-hydroxypropyl)tetradeca-(2E,4E,8Z,11Z)-tetraeneamide
4-(3,4-Dimethoxyphenyl)octahydro-2H-quinolizine-2-ol
C17H25NO3 (291.18343400000003)
(7aR)-8c-Aethyl-11c-methyl-(7ar,8ac,11ac,11bt,11cc)-dodecahydro-azepino[3,2,1-hi]furo[3,2-e]indol-2,10-dion|(7aR)-8c-ethyl-11c-methyl-(7ar,8ac,11ac,11bt,11cc)-dodecahydro-azepino[3,2,1-hi]furo[3,2-e]indole-2,10-dione|2-oxo-stenine|2-oxostenine|rel-(7aR,8R,8aS,11S,11aS,11bR,11cR)-8-ethyldodecahydro-11-methylazepino[3,2,1-hi]furo[3,2-e]indole-2,10-dione
C17H25NO3 (291.18343400000003)
(2E,4E,8Z,11Z)-2-Hydroxy-N-isobutyl-2,4,8,11-tetradecatetraenamide
5-Hydroxy-2-methyl-6-(11-oxododecyl)-pyridine|5-hydroxy-2-methyl-6-(11-oxododecyl)pyridine
(Benzoylamino)acetic acid octyl ester
C17H25NO3 (291.18343400000003)
(-)-sessilifoliamide C|(9R,9aS)-9-((1S)-1-((2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl)propyl)octahydro-3H-pyrrolo[1,2-a]azepin-3-one|sessilifoliamide C
C17H25NO3 (291.18343400000003)
(5RS)-3-methyl-5-[(1SR,2SR,3aRS,10aSR,10bRS)-1-methyldecahydro-2H-furo[3,2-c]pyrrolo[1,2-a]azepin-2-yl]furan-2(5H)-one|neostemocochinine
C17H25NO3 (291.18343400000003)
(-)-(2S)-9-hydroxy-2-phenyl-1,5,9-triazacyclotridecan-4-one|Mayfoline
(2E,4E,8Z,10E)-12-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8,10-tetraenamide|Lanyuamide VI
(2E,4E,8Z)-12-keto-N-isobutyl-2,4,8-tetradecatrienamide|Lanyuamide II
eucatropine
C17H25NO3 (291.18343400000003)
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
Terbinafine
D - Dermatologicals > D01 - Antifungals for dermatological use > D01B - Antifungals for systemic use > D01BA - Antifungals for systemic use D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent D004791 - Enzyme Inhibitors CONFIDENCE standard compound; EAWAG_UCHEM_ID 3586 Terbinafine (TDT 067) is an orally active and potent antifungal agent. Terbinafine is a potent non-competitive inhibitor of squalene epoxidase from Candida, with a Ki of 30 nM. Terbinafine also shows antibacterial activity against certain Gram-positive and Gram-negative bacteria[1][2][3]. Terbinafine is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
C17H25NO3_Azepino[3,2,1-hi]furo[3,2-e]indole-2,10-dione, 8-ethyldodecahydro-11-methyl-, (7aR,8R,8aS,11S,11aS,11bR,11cR)
C17H25NO3 (291.18343400000003)
Penbutolol
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 D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
(2R,6R,7S,8S)-7-(but-3-en-1-yl)-2-(pent-4-en-1-yl)-1-azaspiro[5.5]undecan-8-ol
(8S,Z)-6-((R,E)-2,5-dimethyloct-4-en-1-ylidene)-8-methyloctahydroindolizin-8-ol
(7R,E)-4,7-dimethyl-8-((8R,Z)-8-methylhexahydroindolizin-6(5H)-ylidene)oct-4-en-3-ol
Norcapsaicin
C17H25NO3 (291.18343400000003)
tert-butyl 4-phenylmethoxypiperidine-1-carboxylate
C17H25NO3 (291.18343400000003)
TERT-BUTYL 4-(4-(AMINOMETHYL)PHENYL)PIPERAZINE-1-CARBOXYLATE
3-ETHYL-1-((2-(TRIMETHYLSILYL)ETHOXY)METHYL)-1H-INDAZOL-6-AMINE
8-N-BOC-5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-2-PROPYLAMINE
TERT-BUTYL 4-(3-(AMINOMETHYL)PHENYL)PIPERAZINE-1-CARBOXYLATE
(2S,6S)-2,6-dibenzyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
tert-butyl 4-(aminomethyl)-4-pyridin-2-ylpiperidine-1-carboxylate
tert-butyl 3-(2-hydroxyethyl)-3-phenylpyrrolidine-1-carboxylate
C17H25NO3 (291.18343400000003)
tert-butyl 4-benzyl-4-hydroxypiperidine-1-carboxylate
C17H25NO3 (291.18343400000003)
N,N,N-Trimethyl-1-tetradecanaminium chloride
C17H38ClN (291.26926180000004)
N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine,2-methyloxirane,oxirane
TERT-BUTYL4-(2-AMINOPHENYLAMINO)PIPERIDINE-1-CARBOXYLATE
1-(2-(Pyrrolidin-1-yl)ethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
tert-butyl 4-(hydroxymethyl)-4-phenylpiperidine-1-carboxylate
C17H25NO3 (291.18343400000003)
tert-Butyl 4-[2-(aminomethyl)phenyl]piperazine-1-carboxylate
[1-(3-AMINO-PHENYL)-PIPERIDIN-3-YL]-CARBAMIC ACID TERT-BUTYL ESTER
4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-yl]morpholine
1,2-bis(ethenyl)benzene,1-(2-ethenylphenyl)-N,N-dimethylmethanamine
TERT-BUTYL 4-((PYRIDIN-3-YLMETHYL)AMINO)PIPERIDINE-1-CARBOXYLATE
1H-PYRROLO[2,3-B]PYRIDINE, 4-[4-(PHENYLMETHYL)-1-PIPERIDINYL]-
TERT-BUTYL 4-(3-AMINOBENZYL)PIPERAZINE-1-CARBOXYLATE
4-(4-Aminobenzyl)piperazine-1-carboxylic acid tert-butyl ester
tert-butyl 2-cyclopentyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
trans-4-[5-(4-ethylcyclohexyl)-2-pyrimidyl]benzonitrile
1-(4-tert-butylphenyl)-3-[3-(propan-2-ylamino)propyl]urea
methyl (3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinepropanoate
C17H25NO3 (291.18343400000003)
N-(4-FLUORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZYL)CYCLOPROPANAMINE
4-methoxy-2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine
2-(4-morpholino)pyrimidine-5-boronic acid pinacol ester
1-(3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrrolidine
(R)-3-(1-Pyridin-2-yl-ethylaMino)-pyrrolidine-1-carboxylic acid tert-butyl ester
N,N-Dimethyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)ethanamine
2-Methoxy-N-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)ethanamine
3-Nitro-1-(4-octylphenyl)-1-propanone
C17H25NO3 (291.18343400000003)
TERT-BUTYL4-BENZYL-3-HYDROXYPIPERIDINE-1-CARBOXYLATE
C17H25NO3 (291.18343400000003)
2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)aniline
(Z)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine
s-Triazine, 2-amino-4-((4-methyl-1-piperazinyl)methyl)-6-piperidino-
3,4-Dimethoxy-alpha-pyrrolidinopentiophenone
C17H25NO3 (291.18343400000003)
(+)-Penbutolol
(+)-Penbutolol is a β-adrenoceptor antagonist, with an IC50 of 0.74 μM[1]. (+)-Penbutolol is an optical isomer of l-penbutolol with Na+ channel-blocking action[2].
Pecilocin
C17H25NO3 (291.18343400000003)
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AA - Antibiotics C254 - Anti-Infective Agent > C514 - Antifungal Agent
4-Amino-2-octyloxy-6-hydroxymethyl-tetrahydro-pyran-3,5-diol
Melitracen
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
(9Z,15Z)-(13S)-12,13-epoxyoctadeca-9,11,15-trienoate
Colnelenate
A oxa fatty acid anion and the conjugate base of colnelenic acid, arising from deprotonation of the carboxylic acid group.
(15Z)-12-Oxophyto-10,15-dienoate
Conjugate base of (15Z)-12-oxophyto-10,15-dienoic acid.
7-Methyl-oct-6-enoic acid 4-hydroxy-3-methoxy-benzylamide
C17H25NO3 (291.18343400000003)
(9R,13R)-12-oxophytodienoate
Conjugate base of (9R,13R)-12-oxophytodienoic acid.
6-amino-2-[(5-amino-5-carboxypentan-2-yl)amino]-5-hydroxyhexanoic acid
tert-butyl N-[(E)-[4-(diethylamino)phenyl]methylideneamino]carbamate
1-[(E)-1-(4-Tert-butylphenyl)ethylideneamino]-3-propan-2-ylthiourea
(9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoate
An unsaturated fatty acid anion resulting from the removal of a proton from the carboxy group of (9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoic acid.
1-(3,4-dimethoxyphenyl)-N-propan-2-yl-1-cyclopentanecarboxamide
C17H25NO3 (291.18343400000003)
2-Hydroxy-2-phenylacetic acid (1,2,6,6-tetramethyl-3-piperidinyl) ester
C17H25NO3 (291.18343400000003)
5-methyl-2-[(3S)-piperidin-3-yl]-3-pyridin-4-yl-1H-indole
(4Z,7Z,10Z,13Z)-N-(2-hydroxyethyl)hexadeca-4,7,10,13-tetraenamide
cyclopentolate
C17H25NO3 (291.18343400000003)
S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics C78283 - Agent Affecting Organs of Special Senses > C29706 - Mydriatic Agent
LEVOBUNOLOL
C17H25NO3 (291.18343400000003)
S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01ED - Beta blocking agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists C78283 - Agent Affecting Organs of Special Senses > C29705 - Anti-glaucoma Agent
methyl 8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.0³,¹².0⁷,¹²]pentadec-10-ene-10-carboxylate
C17H25NO3 (291.18343400000003)
(2e)-n-{4-[(3-aminopropyl)amino]butyl}-3-(4-hydroxyphenyl)prop-2-enimidic acid
(2z,7as)-2-[(2e)-1-hydroxydec-2-en-1-ylidene]-tetrahydropyrrolizine-1,3-dione
C17H25NO3 (291.18343400000003)
(2e,4e)-n-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenimidic acid
(2e,4e,8e,11e)-n-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenimidic acid
(2r)-2-heptyl-2-hydroxy-6-methoxy-4-methyl-1h-indol-3-one
C17H25NO3 (291.18343400000003)
methyl (1s,7s,8r,12r,14s)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.0³,¹².0⁷,¹²]pentadec-10-ene-10-carboxylate
C17H25NO3 (291.18343400000003)
12-hydroxy-n-(2-methylpropyl)tetradeca-2,4,8,10-tetraenimidic acid
(9r,9as)-9-[(1s)-1-[(2r)-4-methyl-5-oxo-2h-furan-2-yl]propyl]-octahydropyrrolo[1,2-a]azepin-3-one
C17H25NO3 (291.18343400000003)
(2r,3r,4r,5s,6r)-2-(hydroxymethyl)-6-(8-hydroxyoctyl)piperidine-3,4,5-triol
(2e,4 e,8z,11e)-2'-hydroxy-n-isobutyl-2,4,8,11-tetradecatetraenamide
{"Ingredient_id": "HBIN005558","Ingredient_name": "(2e,4 e,8z,11e)-2'-hydroxy-n-isobutyl-2,4,8,11-tetradecatetraenamide","Alias": "NA","Ingredient_formula": "C18H29NO2","Ingredient_Smile": "CCC=CCC=CCCC=CC=CC(=O)NCC(C)(C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10235","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2e,4 e,8z,11z)-2'-hydroxy-n-isobutyl-2,4,8,11-tetradecatetraenamide
{"Ingredient_id": "HBIN005559","Ingredient_name": "(2e,4 e,8z,11z)-2'-hydroxy-n-isobutyl-2,4,8,11-tetradecatetraenamide","Alias": "NA","Ingredient_formula": "C18H29NO2","Ingredient_Smile": "CCC=CCC=CCCC=CC=CC(=O)NCC(C)(C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10236","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-hydroxy-2-methyl-6-(11'-oxododecyl)-pyridine
{"Ingredient_id": "HBIN011591","Ingredient_name": "5-hydroxy-2-methyl-6-(11'-oxododecyl)-pyridine","Alias": "NA","Ingredient_formula": "C18H29NO2","Ingredient_Smile": "CC1=NC(=C(C=C1)O)CCCCCCCCCCC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10509","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
annopodine
C17H25NO3 (291.18343400000003)
{"Ingredient_id": "HBIN016230","Ingredient_name": "annopodine","Alias": "NA","Ingredient_formula": "C17H25NO3","Ingredient_Smile": "CC1CC23C4CCCN2CC1CC3=C(CC4O)C(=O)OC","Ingredient_weight": "291.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1323","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "12306652","DrugBank_id": "NA"}
6-methyl-1-(2-oxopyrrolidin-1-yl)dodeca-4,6-diene-1,8-dione
C17H25NO3 (291.18343400000003)
7-(but-3-en-1-yl)-2-(pent-4-en-1-yl)-1-azaspiro[5.5]undecan-8-ol
methyl (2s)-3-[(8r,9s,13s)-8-hydroxy-1-azatricyclo[7.3.1.0⁵,¹³]trideca-3,5-dien-13-yl]-2-methylpropanoate
C17H25NO3 (291.18343400000003)
(1s,4s,6r,9s,15r)-15-hydroxy-6-methyl-13-azatetracyclo[11.3.1.0¹,⁹.0⁴,⁹]heptadecane-2,8-dione
C17H25NO3 (291.18343400000003)
(1r,5s,6s,9s,15r,16s)-16-isopropyl-15-methyl-3,14-dioxa-11-azapentacyclo[7.5.1.1²,⁵.0¹,¹¹.0⁶,¹⁵]hexadecan-4-one
C17H25NO3 (291.18343400000003)
(2e,4e,11e)-n-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenimidic acid
6-ethyl-2-hydroxy-6a,8,10-trimethyl-6h,7h,8h,9h,10h,10ah-isochromeno[4,3-c]pyridin-1-one
C17H25NO3 (291.18343400000003)
(1s,4s,5s,6s,9s)-5-hydroxy-6-methyl-13-azatetracyclo[11.3.1.0¹,⁹.0⁴,⁹]heptadecane-2,8-dione
C17H25NO3 (291.18343400000003)
4-isopropyl-1-isothiocyanato-1,4a,6,8a-tetramethyl-3,4,7,8-tetrahydro-2h-naphthalene
(2e,4e)-1-(piperidin-1-yl)tetradeca-2,4-dien-1-one
n-(2-methylpropyl)-12-oxotetradeca-2,4,8-trienimidic acid
methyl 8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.0³,¹².0⁷,¹²]pentadec-11(15)-ene-10-carboxylate
C17H25NO3 (291.18343400000003)
(6r,6as,8s,10r,10as)-6-ethyl-2-hydroxy-6a,8,10-trimethyl-6h,7h,8h,9h,10h,10ah-isochromeno[4,3-c]pyridin-1-one
C17H25NO3 (291.18343400000003)
n,n-dimethyl-2-{1h,2h,3h,9h-pyrrolo[2,1-b]quinazolin-3-yl}aniline
(8r)-7-(but-3-en-1-yl)-2-(pent-4-en-1-yl)-1-azaspiro[5.5]undecan-8-ol
(2e,4e,8z,10e,12r)-12-hydroxy-n-(2-methylpropyl)tetradeca-2,4,8,10-tetraenimidic acid
(5e)-n-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloct-5-enimidic acid
C17H25NO3 (291.18343400000003)
(1r,15r)-16-isopropyl-15-methyl-3,14-dioxa-11-azapentacyclo[7.5.1.1²,⁵.0¹,¹¹.0⁶,¹⁵]hexadecan-4-one
C17H25NO3 (291.18343400000003)
5-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-hexahydrofuro[3,2-b]pyridin-2-ol
C17H25NO3 (291.18343400000003)
1-[6-methyl-7-(oxan-2-yl)hepta-4,6-dienoyl]pyrrolidin-2-one
C17H25NO3 (291.18343400000003)
(6s,6ar,8r,10s,10as)-2-methoxy-6,6a,8,10-tetramethyl-6h,7h,8h,9h,10h,10ah-isochromeno[4,3-c]pyridin-1-one
C17H25NO3 (291.18343400000003)
(2e,4e,8z,11e)-n-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenimidic acid
(2s)-1-[(2s,6r)-6-[(2s)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]butan-2-ol
n-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenimidic acid
[1-(carboxylatomethyl)-2-(non-8-en-1-yl)pyridin-4-ylidene](methyl)oxidanium
C17H25NO3 (291.18343400000003)
(1r,4r,4ar,8as)-4-isopropyl-1-isothiocyanato-1,4a,6,8a-tetramethyl-3,4,7,8-tetrahydro-2h-naphthalene
(1r,4s,5s,6s,9s)-5-hydroxy-6-methyl-13-azatetracyclo[11.3.1.0¹,⁹.0⁴,⁹]heptadecane-2,8-dione
C17H25NO3 (291.18343400000003)
2-heptyl-2-hydroxy-6-methoxy-4-methyl-1h-indol-3-one
C17H25NO3 (291.18343400000003)
methyl 3-{8-hydroxy-1-azatricyclo[7.3.1.0⁵,¹³]trideca-3,5-dien-13-yl}-2-methylpropanoate
C17H25NO3 (291.18343400000003)
methyl (1s,7s,8r,10s,12s)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.0³,¹².0⁷,¹²]pentadec-11(15)-ene-10-carboxylate
C17H25NO3 (291.18343400000003)
9-[1-(4-methyl-5-oxo-2h-furan-2-yl)propyl]-octahydropyrrolo[1,2-a]azepin-3-one
C17H25NO3 (291.18343400000003)
10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadecane-3,13-dione
C17H25NO3 (291.18343400000003)
(2e,4e)-n-(2-methylpropyl)-12-oxotetradeca-2,4,8-trienimidic acid
(1r,2r,5s,6s,9s,15r,16s)-16-isopropyl-15-methyl-3,14-dioxa-11-azapentacyclo[7.5.1.1²,⁵.0¹,¹¹.0⁶,¹⁵]hexadecan-4-one
C17H25NO3 (291.18343400000003)
(2s,3as,5s,7as)-5-[(2s)-2-hydroxy-2-phenylethyl]-2,4-dimethyl-hexahydrofuro[3,2-b]pyridin-2-ol
C17H25NO3 (291.18343400000003)
(2e,4e,8z)-n-(2-methylpropyl)-12-oxotetradeca-2,4,8-trienimidic acid
(2r,3ar,5r,7ar)-5-[(2r)-2-hydroxy-2-phenylethyl]-2,4-dimethyl-hexahydrofuro[3,2-b]pyridin-2-ol
C17H25NO3 (291.18343400000003)
1-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]butan-2-ol
n-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloct-5-enimidic acid
C17H25NO3 (291.18343400000003)
(1r,2r,10s,11r,13s,15r)-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadecan-11-yl acetate
(1ar,5s,6s,7s,7ar,7bs)-5-[(1e,3e)-4-cyclopropyl-2-methylbuta-1,3-dien-1-yl]-7-methyl-hexahydro-1ah-oxireno[2,3-g]indolizine-6,7-diol
C17H25NO3 (291.18343400000003)
15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadecan-11-yl acetate
(2e,4e,8z)-n-[(2s)-butan-2-yl]-12-oxotetradeca-2,4,8-trienimidic acid
methyl 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]acetate
C17H25NO3 (291.18343400000003)
2-methoxy-6,6a,8,10-tetramethyl-6h,7h,8h,9h,10h,10ah-isochromeno[4,3-c]pyridin-1-one
C17H25NO3 (291.18343400000003)
(6s,6ar,8r,10s,10ar)-2-methoxy-6,6a,8,10-tetramethyl-6h,7h,8h,9h,10h,10ah-isochromeno[4,3-c]pyridin-1-one
C17H25NO3 (291.18343400000003)
methyl (1s,7s,8r,10s,12s,14s)-8-hydroxy-14-methyl-3-azatetracyclo[9.3.1.0³,¹².0⁷,¹²]pentadec-11(15)-ene-10-carboxylate
C17H25NO3 (291.18343400000003)
n,n-dimethyl-2-[(3r)-1h,2h,3h,9h-pyrrolo[2,1-b]quinazolin-3-yl]aniline
(2e,4e,8z,11z)-n-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenimidic acid
(2e,4e,8z,10e)-12-hydroxy-n-(2-methylpropyl)tetradeca-2,4,8,10-tetraenimidic acid
(1r,9r,10r,11s,14s,15s,16r)-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadecane-3,13-dione
C17H25NO3 (291.18343400000003)