Exact Mass: 335.1652
Exact Mass Matches: 335.1652
Found 162 metabolites which its exact mass value is equals to given mass value 335.1652,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Senecionine
Senecionine is a pyrrolizidine alkaloid isolated from the plant species of the genus Senecio. It has a role as a plant metabolite. It is a lactone, a pyrrolizidine alkaloid and a tertiary alcohol. It is functionally related to a senecionan. It is a conjugate base of a senecionine(1+). Senecionine is a natural product found in Dorobaea pimpinellifolia, Crotalaria micans, and other organisms with data available. Senecionine is an organic compound with the chemical formula C18H25NO5. It is classified as a pyrrolizidine alkaloid. See also: Petasites hybridus root (part of); Tussilago farfara flower (part of); Tussilago farfara leaf (part of). A pyrrolizidine alkaloid isolated from the plant species of the genus Senecio. D000970 - Antineoplastic Agents Annotation level-1 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2251 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 122 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 102 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 142 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 152 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 162 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 172 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 132 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 112 [Raw Data] CB082a_Senecionine_pos_40eV_CB000034.txt [Raw Data] CB082a_Senecionine_pos_10eV_CB000034.txt [Raw Data] CB082a_Senecionine_pos_30eV_CB000034.txt [Raw Data] CB082a_Senecionine_pos_20eV_CB000034.txt [Raw Data] CB082a_Senecionine_pos_50eV_CB000034.txt Senecionine (Senecionan-11,16-dione, 12-hydroxy-) is a pyrrolizidine alkaloid could be isolated from Senecio vulgaris. Senecionine decreases the activities of glutathione S-transferase, aminopyrine demethylase and arylhydrocarbon hydroxylase (AHH)[1][2][3]. Senecionine (Senecionan-11,16-dione, 12-hydroxy-) is a pyrrolizidine alkaloid could be isolated from Senecio vulgaris. Senecionine decreases the activities of glutathione S-transferase, aminopyrine demethylase and arylhydrocarbon hydroxylase (AHH)[1][2][3].
isopentenyl adenosine
Riboprine, also known as isopentenyladenosine or ipa, is a member of the class of compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. Riboprine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Riboprine can be found in a number of food items such as peppermint, chinese mustard, custard apple, and green bean, which makes riboprine a potential biomarker for the consumption of these food products. C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins Acquisition and generation of the data is financially supported in part by CREST/JST. Same as: D05726 N6-Isopentenyladenosine (Riboprine), an RNA modification found in cytokinins, which regulate plant growth/differentiation, and a subset of tRNAs, where it improves the efficiency and accuracy of translation. N6-Isopentenyladenosine, an end product of the mevalonate pathway, is an autophagy inhibitor with an interesting anti-melanoma activity[1][2][3].
Senecivernine
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2276
Naratriptan
Naratriptan is only found in individuals that have used or taken this drug. It is a triptan drug used for the treatment of migraine headaches. It is a selective 5-hydroxytryptamine1 receptor subtype agonist.Three distinct pharmacological actions have been implicated in the antimigraine effect of the triptans: (1) stimulation of presynaptic 5-HT1D receptors, which serves to inhibit both dural vasodilation and inflammation; (2) direct inhibition of trigeminal nuclei cell excitability via 5-HT1B/1D receptor agonism in the brainstem and (3) vasoconstriction of meningeal, dural, cerebral or pial vessels as a result of vascular 5-HT1B receptor agonism. N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents
(+)-Validoxylamine-A
An amino cyclitol that is (1R,2S,3S,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol in which one of the hydrogens attached to the nitrogen is replaced by a (1R,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl group. Validoxylamine A is an amino cyclitol that is (1R,2S,3S,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol in which one of the hydrogens attached to the nitrogen is replaced by a (1R,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl group. It has a role as an EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor, a bacterial metabolite, an antibiotic insecticide and an animal metabolite. It is an amino cyclitol and a secondary amino compound. It is functionally related to a validamine. It is a conjugate base of a validoxylamine A(1+). Validoxylamine A is a natural product found in Apis ceran
Almotriptan
Almotriptan is a triptan drug for the treatment of migraine headaches. Almotriptan is in a class of medications called selective serotonin receptor agonists. It works by narrowing blood vessels in the brain, stopping pain signals from being sent to the brain, and stopping the release of certain natural substances that cause pain, nausea, and other symptoms of migraine. Almotriptan does not prevent migraine attacks. N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist Almotriptan is a selective agonist of 5-HT 1B/1D Receptor. Almotriptan can used in study of migraine attacks[1].
Integerrimine
Acarviosin
Alkaloid A
Dansylcadaverine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
2-(4-(Benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-imidazol-5-yl)-6-methylpyridine
N-6-Isopent-2-enyl-adenosine
N-6-isopent-2-enyl-adenosine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). N-6-isopent-2-enyl-adenosine can be found in wild celery, which makes N-6-isopent-2-enyl-adenosine a potential biomarker for the consumption of this food product.
Pyrrolo[2,1-b]quinazolin-9(1H)-one, 3-[o-(dimethylamino)phenyl]-2,3-dihydro-5-methoxy-
3-Deoxy-3-methylaminoxylose-1,2-O-Isopropylidene, N-Ac, 5-benzyl
7-Senecioyl-9-sarracinoyl retronecine|7-senecioyl-9-sarracinylretronecine
2-Deoxyribosylzeatin|2-Deoxyzeatin 9-beta-D-ribofuranoside|2-deoxyzeatin riboside|6-(4-hydroxy-3-methylbut-trans-2-enylamino)-9-beta-2-deoxy-D-ribofuranosylpurine|9-(2-deoxy-beta-D-ribofuranosyl)-trans-zeatin|cytokinin
3alpha-hydroxy-6beta-(3-hydroxy-2-methyl-3-phenylpropionyloxy)-7beta-hydroxytropane
Squalidin
Integerrimine is a macrolide. Integerrimine is a natural product found in Crotalaria micans, Tussilago farfara, and other organisms with data available. See also: Petasites hybridus root (part of). D000970 - Antineoplastic Agents
isopentenyl-Adenosine-[d6]
Acquisition and generation of the data is financially supported by the Max-Planck-Society
Isopentenyl-Adenosine
Acquisition and generation of the data is financially supported by the Max-Planck-Society
Isopentenyladenosine
N6-Isopentenyladenosine (Riboprine), an RNA modification found in cytokinins, which regulate plant growth/differentiation, and a subset of tRNAs, where it improves the efficiency and accuracy of translation. N6-Isopentenyladenosine, an end product of the mevalonate pathway, is an autophagy inhibitor with an interesting anti-melanoma activity[1][2][3].
(E)-methyl 11-(5-carbamoyl-4-oxo-4H-pyran-2-yl)undec-10-enoate_120105
N6-Isopentenyladenosine
N6-Isopentenyladenosine (Riboprine), an RNA modification found in cytokinins, which regulate plant growth/differentiation, and a subset of tRNAs, where it improves the efficiency and accuracy of translation. N6-Isopentenyladenosine, an end product of the mevalonate pathway, is an autophagy inhibitor with an interesting anti-melanoma activity[1][2][3].
Riboprine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins Same as: D05726 CONFIDENCE standard compound; INTERNAL_ID 306 N6-Isopentenyladenosine (Riboprine), an RNA modification found in cytokinins, which regulate plant growth/differentiation, and a subset of tRNAs, where it improves the efficiency and accuracy of translation. N6-Isopentenyladenosine, an end product of the mevalonate pathway, is an autophagy inhibitor with an interesting anti-melanoma activity[1][2][3].
Almotriptan
N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist Almotriptan is a selective agonist of 5-HT 1B/1D Receptor. Almotriptan can used in study of migraine attacks[1].
(3R,4S)-tert-Butyl 3-(1-ethoxyethoxy)-2-oxo-4-phenylazetidine-1-carboxylate
2-N-BOC-8-METHOXY-2-METHYLAMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE-2-CARBOXYLICACID
4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]benzoic acid
2-((tert-Butyldimethylsilyloxy)methyl)-6-(trimethylsilyl)furo[3,2-b]pyridine
3-BENZYLOXY-1-TERT-BUTOXYCARBONYLAMINO-CYCLOPENTANECARBOXYLIC ACID
N6-Cyclopentyladenosine
N6-Cyclopentyladenosine (CPA) is a selective Adenosine A1 receptor agonist, with Ki values of 2.3 nM, 790 nM and 43 nM for human A1, A2A and A3 receptors, respectively[1][2]. N6-Cyclopentyladenosine (CPA) is a selective Adenosine A1 receptor agonist, with Ki values of 2.3 nM, 790 nM and 43 nM for human A1, A2A and A3 receptors, respectively[1][2].
(3R,4S)-1-tert-butoxycarbonyl-3-(2-ethoxyethoxy)-4-phenyl-2-azetidione
1-[[2,4,6-Tris(isopropyl)phenyl]sulfonyl]-1H-1,2,4-triazole
Nylidrin hydrochloride
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
tert-butyl N-tert-butoxycarbonyl-n-(7h-purin-6-yl)carbamate
9,9-dimethyl-N-(naphthalen-2-yl)-9H-fluoren-2-amine
4-(4,4-Difluoro-1,3,5,7-tetraMethyl-4-bora-3a,4a-diaza-s-indacene-8-yl)-butyric Acid
4-Ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
2-{5-[Amino(iminio)methyl]-1H-indol-2-YL}-6-(cyclopentyloxy)benzenolate
3-[4-(1-Formylpiperazin-4-yl)-benzylidenyl]-2-indolinone
4-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine
(1R,4Z,6R,7R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-5,6-dimethyl(1,6)dioxacyclododecino(2,3,4-gh)-
D000970 - Antineoplastic Agents
5-(2-hydroxy-3,5-dimethylphenyl)-N-(4-methylbenzyl)-1H-pyrazole-3-carboxamide
1-[(4-Tert-butylphenyl)methyl]-4-(4-nitrophenyl)imidazole
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propyl-2-pyridinecarboxamide
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-yl-4-pyridinecarboxamide
4-[4-[(2S,3S,4S)-2-cyano-4-(hydroxymethyl)-3-azetidinyl]phenyl]-N,N-dimethylbenzamide
Ethyl (Z)-2-cyano-3-(2-piperidin-1-ylquinolin-3-yl)prop-2-enoate
4-[(Z)-[(2,6-dimethylquinolin-4-yl)hydrazinylidene]methyl]-2-ethoxyphenol
naratriptan
N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents
Dansylcadaverine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
2-[6-(Cyclopentylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
N(6)-(delta(2)-Isopentenyl)adenosine
A nucleoside analogue in which adenosine has been modified by substitution at the 6-amino nitrogen by a Delta(2)-isopentenyl group.
NL-1
NL-1 is a mitoNEET inhibitor with antileukemic effect. NL-1 inhibits REH and REH/Ara-C cells growth with IC50s of 47.35 μM and 56.26 μM, respectively. NL-1-mediated death in leukemic cells requires the activation of the autophagic pathway[1].
PPARγ-IN-2
PPARγ-IN-2 (Compound 5a) is a PPARγ inhibitor. PPARγ-IN-2 inhibits TG accumulation in 3T3-L1 preadipocytes (EC50: 0.106 μM). PPARγ-IN-2 inhibits high-cholesterol diet (HFC)-induced obesity and related metabolic syndrome, and reduces lipid accumulation in adipose tissue[1].
VU0364289
VU0364289 is a highly selective mGlu5 positive allosteric modulator (PAM) (binds to the MPEP (HY-14609A) site), with an EC50 of 1.6 μM. VU0364289 can reverse amphetamine-induced hyperlocomotion in a dose-dependent manner, which can be used for schizophrenia and other psychiatric research[1][2][3].
5-(1-aminoethylidene)-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.0²,⁹.0³,⁷.0¹⁵,¹⁸]octadeca-1(17),11(18),12,14-tetraene-4,6-dione
2-{2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazole-5-carbonyl}aniline
(2r,3s,5r)-5-(6-{[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]amino}purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
(1r,4e,6s,7r,17s)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
(1'r,2r,4s,4'r,7's)-4-methyl-4'-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-11'-oxa-5'-azaspiro[oxolane-2,10'-tricyclo[5.3.1.0¹,⁵]undecan]-5-one
5-{5-[(acetyloxy)methyl]-6-methyl-4-oxatricyclo[3.3.1.0²,⁷]nonan-2-yl}-2-methyl-4-oxopent-2-enimidic acid
(1r,4e,7r,11s,17r)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,8-dione
(4e)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
3α-(3',4',5'-trimethoxybenzoyloxy)tropane
{"Ingredient_id": "HBIN007914","Ingredient_name": "3\u03b1-(3',4',5'-trimethoxybenzoyloxy)tropane","Alias": "NA","Ingredient_formula": "C18H25NO5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21880","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
adhatodine
{"Ingredient_id": "HBIN014711","Ingredient_name": "adhatodine","Alias": "NA","Ingredient_formula": "C20H21N3O2","Ingredient_Smile": "CNC1=C(C=C(C=C1)C2CCN3C2=NC4=CC=CC=C4C3)C(=O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "627","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
