Exact Mass: 264.1514
Exact Mass Matches: 264.1514
Found 500 metabolites which its exact mass value is equals to given mass value 264.1514,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Subaphylline
Alkaloid from Ananas comosus (pineapple). Subaphylline is found in many foods, some of which are pineapple, sweet orange, corn, and fruits. Subaphylline is found in avocado. Subaphylline is an alkaloid from Ananas comosus (pineapple). CASMI2013 Challenge_2 MS2 data; [MS1] MSJ00003 CASMI2013 Challenge_2 MS1 data; [MS2] MSJ00004
1,7-Diphenyl-4-hepten-3-one
1,7-Diphenyl-4-hepten-3-one is found in herbs and spices. 1,7-Diphenyl-4-hepten-3-one is isolated from rhizomes of Alpinia officinarum (lesser galangal 1,7-Diphenyl-4-hepten-3-one is a diarylheptanoid. 1,7-Diphenyl-4-hepten-3-one is a natural product found in Alpinia officinarum with data available.
Mianserin
Mianserin is only found in individuals that have used or taken this drug. It is a tetracyclic compound with antidepressant effects. Mianserin was previously available internationally, however in most markets it has been phased out in favor of Mirtazapine.Mianserins mechanism of therapeutic action is not well understood, although it apparently blocks alpha-adrenergic, histamine H1, and some types of serotonin receptors. D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents 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 D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants
Phenylalanylvaline
Phenylalanylvaline is a dipeptide composed of phenylalanine and valine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Valylphenylalanine
Valylphenylalanine is a dipeptide composed of valine and phenylalanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
(E,E)-1,7-Diphenyl-4,6-heptadien-3-ol
(E,E)-1,7-Diphenyl-4,6-heptadien-3-ol is found in beverages. (E,E)-1,7-Diphenyl-4,6-heptadien-3-ol is a constituent of Curcuma xanthorrhiza (Java turmeric). Constituent of Curcuma xanthorrhiza (Java turmeric). (E,E)-1,7-Diphenyl-4,6-heptadien-3-ol is found in herbs and spices, beverages, and root vegetables.
Hexyl glucoside
Constituent of Citrus subspecies and apples (Malus sylvestris). Hexyl glucoside is found in malus (crab apple), pomes, and citrus. Hexyl glucoside is found in citrus. Hexyl glucoside is a constituent of Citrus species and apples (Malus sylvestris)
Vorinostat
Vorinostat (rINN) or suberoylanilide hydroxamic acid (SAHA), is a drug currently under investigation for the treatment of cutaneous T cell lymphoma (CTCL), a type of skin cancer, to be used when the disease persists, gets worse, or comes back during or after treatment with other medicines. It is the first in a new class of agents known as histone deacetylase inhibitors. A recent study suggested that vorinostat also possesses some activity against recurrent glioblastoma multiforme, resulting in a median overall survival of 5.7 months (compared to 4 - 4.4 months in earlier studies). Further brain tumor trials are planned in which vorinostat will be combined with other drugs. [Wikipedia] L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XH - Histone deacetylase (hdac) inhibitors D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D000970 - Antineoplastic Agents
5-(Cycloocten-1-yl)-5-ethyl-barbituric acid
Propacetamol
N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BE - Anilides C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Ivangulinic acid
Maritimin (sesquiterpene)
5alpha-Hydroperoxy-4(15),11(13)-eudesmadien-12,8beta-olide
3beta,4beta-Epoxy-2beta-hydroxy-1(10)-guaien-12,6alpha-olide
4,6-dihydroxy-6,9-dimethyl-3-methylidene-3a,4,5,6,6a,7,9a,9b-octahydroazuleno[4,5-b]furan-2(3h)-one
Helicobasidin
(11S)-10alpha-Hydroxy-3-oxoguaia-4-eno-12,6alpha-lactone
[3aS-(3aalpha,5beta,5abeta,6beta,9aalpha,9bbeta)]-Decahydro-5,6-dihydroxy-5a-methyl-3,9-bis(methylene)-naphtho[1,2-b]furan-2(3H)-one
Pulchellin C
[3R-(3alpha,3aalpha,4aalpha,6beta,7aalpha,9abeta)]-Decahydro-4a,6-dihydroxy-3-methyl-5,8-bis(methylene)-azuleno[6,5-b]furan-2(3H)-one
6alpha-Hydroxy-14-oxo-1(10)E,4E,germacradien-12,8alpha-olide
1beta,10beta-Epoxy-2beta-hydroxy-3-guaien-12,6alpha-olide
1beta,10beta-epoxy-8alpha-hydroxyeremophil-7(11)-en-8beta,12-olide
10alpha-Hydroxy-1alpha,2alpha-epoxyeremophil-11(13)-en-12,8beta-olide
Pseudosantonin
Nehipediol
1alpha-Hydroxy-4alpha-hydroperoxy-11betaH-guaia-2,10(14)-dien-6alpha,12-olide
5-(4-Hydroxy-2-methyl-2-butenyl)-3-(4-methyl-5-oxo-3-pentenyl)-2(4H)-furanone
4alpha,5alpha-Epoxy-13-hydroxy-1(10),7(11)-germacratrien-12,6alpha-olide
Dihydroxyalloalantolactone
2alpha-Hydroxy-1beta,10beta-epoxyeremophil-11(13)-en-12,8beta-olide
7-Hydroxy-6,9a-dimethyl-3-methylene-decahydro-azuleno[4,5-b]furan-2,9-dione
5alpha,8beta-Dihydroxyeudesma-4(15),7(11)-diene-8,12-olide
8alpha-Hydroxytaurin
[10S-(6E,10R*,11aS*)]-5,8,11,11a-Tetrahydro-3-(hydroxymethyl)-6,10-dimethylcyclodeca[b]furan-2,9(4H,10H)-dione
8alpha,13-Dihydroxy-1(10)E,4E,7(11)-germacratrien-12,6alpha-olide
(+)-Artecalin
[3aR-(3aalpha,5abeta,7alpha,9balpha)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one
Cybrodic acid
Benghalensin B
1alpha,9alpha-Dihydroxy-alpha-cyclocostunolide
1,1,5-Trimethyl-2-formyl-6-((E)-3-hydroxymethyl-2-butenoyloxy)-2,4-cyclohexadiene
[3aR-(3aalpha,5alpha,7alpha,7aalpha,8alpha,9abeta)]-3a,5,6,7,7a,8,9,9a-Octahydro-5,7-dihydroxy-5,8-dimethyl-3-methylene-azuleno[6,5-b]furan-2(3H)-one
herbolide E
5-Deoxy-5-hydroperoxy-5-epitelekin
4-Epivulgarin
[3R-(3alpha,3abeta,5alpha,6abeta,8alpha,9abeta,9balpha)]-Decahydro-5,8-dihydroxy-3-methyl-6,9-bis(methylene)-azuleno[4,5-b]furan-2(3H)-one
[3R-(3alpha,3abeta,5alpha,6abeta,9beta,9abeta,9balpha)]-Octahydro-5-hydroxy-3,9-dimethyl-6-methylene-azuleno[4,5-b]furan-2,8(3H,4H)-dione
Carpesiolin
A sesquiterpene lactonethat is 2,3-dihydroaromaticin substituted by an alpha-hydroxy group at position 6. It has been isolated from the aerial parts of Inula hupehensis.
9alpha-Hydroxy-4beta,15,11beta,13-tetrahydro-dehydrozaluzanin C
15-Hydroxymarasmen-3-one
(9E)-11a-hydroxy-3,6,10-trimethyl-6,7,8,11-tetrahydro-4H-cyclodeca[b]furan-2,5-dione
1beta,3beta-dihydroxy-4alphaH-eudesma-5(6),11(13)-dien-12,8beta-olide
7alpha,11alpha-dihydroxy-4(13),8-coloratadien-12,11-olide
2-oxo-11beta,13-dihydrosantamarin|2-Oxo-1alpha-hydroxy-5alpha-sant-3-enolid
(Z)-1-(2,6-dihydroxy-4-methoxyphenyl)-oct-5-en-1-one|syzygiol A
(1alpha,5beta,6beta,10beta)-1-Hydroxy-4-oxo-7(11)-pseudoguaien-12,6-olide|1,6beta-dihydroxy-4-oxo-10alphaH-ambros-7(11)-en-12-oic acid-6-lactone|1,6beta-Dihydroxy-4-oxo-10alphaH-ambros-7(11)-en-12-saeure-6-lacton|dihydroisoparthenin
Azuleno(4,5-b)furan-2,8(3H,4H)-dione, octahydro-5-hydroxy-3,9-dimethyl-6-methylene-
4,9-dihydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
1beta,3beta-dihydroxy-eudesma-4(5),11(13)-dien-12,8beta-olide
1alpha,2alpha-epoxy-4beta-hydroxy-5alphaH,7alphaH,8alphaH,10alphaH-guaia-11(13)-en-8beta,12-olide
(1alpha,3alpha,5alpha,8beta)-4alpha,15-dihydroxy-1H-lindan-7(11)-en-12,8alpha-olide|chlorojapolide D
4alpha,10beta-dihydroxy-5alpha(H)-1,11(13)-guaidien-8beta,12-olide
3-Methylene-6-(1-hydroxy-3-oxobutyl)-7-methyl-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-2-one
4,5-dioxo-11beta-H-xanth-1(10)-en-12,8beta-olide|4,5-dioxo-xanth-1(10)-en-13alpha-methyl-12,8beta-olide
(1alpha,6alpha)-1,13-Dihydroxy-3,7(11)-eudesmadien-12,6-olide|praeteritenolide
1beta,2beta-dihydroxy-5alpha,6beta,7alphaH-eudesma-4(15),11(13)-dien-12,6-olide
1beta,2beta-dihydroxyeudesma-4(5),11(13)-dien-12,8beta-olide
alpha,4-Dimethoxy-3-(2-hydroxy-3-methyl-3-butenyl)acetophenone
(E)-15-hydroxy-2-oxo-6betaH,11alphaH-13-norgermacra-1(10),4-dien-11,6-carbolactone
8-Oxo-15-hydroxygermacra-1(10),E,4Z-dien-11??H-12,6??-olide|8-oxo-15-hydroxygermacra-1(10)E,4Z-dien-11betaH-12,6alpha-olide
(2alpha,5alpha)-form-2,5-Ep-idioxy-3,11(13)-eudesmadien-12-oic acid
6alpha,14-Dihydroxy-1(10)E,4E-germacradien-12,8alpha-olide|Schkuhriolide
(delta-Phenyl-butyl)-styryl-keton|(E)-1,7-diphenylhept-1-en-3-one|1,7-diphenyl-4E-hepten-3-one|1,7-Diphenyl-hept-1-en-3-on|1,7-diphenyl-hept-1-en-3-one|gamma-Oxo-alpha.eta-diphenyl-alpha-heptylen
8alpha,9beta-dihydroxy-trans,trans-germacra-1(10),4-dien-trans-6,12-olide
2alpha,4alpha-dihydroxy-7alpha,8alphaH,10alphaH-guaia-1(5),11(13)-dien-8beta,12-olide
(1aS*,5S*,6aS*,9aS*,10aR*)-decahydro-5-hydroxy-10a-methyl-4,7-dimethylideneoxireno[8,9]cyclodeca[1,2-b]furan-8(2H)-one|3beta,4beta-epoxy-9beta-hydroxygermacra-10(14),11(13)-dien-12,6beta-olide|anomalactone B
(S)-(+)-11-dehydrosydonic acid|(S)-(+)-3-hydroxy-4-(2-hydroxy-6-methylhept-6-en-2-yl)benzoic acid
(1alpha,8beta,10beta,11alpha)-1-Hydroxy-3-oxo-4-guaien-12,8-olide|11beta,13-Dihydro-1alpha-hydroxy-8-epi-xerantholid
(Z)-6alpha,7alpha-epoxy-1beta,13-dihydroxyeremophila-9,11-dien-8-one|xylarenone A
3alpha,4-epoxy-13-hydroxyeudesma-7(11)-en-12,8alpha-olide
7-Hydroxy-4a,8-dimethyl-3-methylenedecahydroazuleno[6,5-b]furan-2,5-dione #
(1R,4S,5R,6R,7R,8S)-8,15-dihydroxyguaia-10(14),11(13)-dien-12,6-olide
(4S,5R,8S,10R)-4-hydroxy-1-oxoeudesm-7(11)-en-12,8-olide|multistalactone B
3-(4-Hydroxypentyl)-8-methoxy-3,4-dihydro-1H-2-benzopyran-1-one
3,4-dioxo-5alpha,7alphaH-3,4-secoeudesma-1,11(13)-dien-12-oic acid
4alpha,13-dihydroxy-5,7(11)-eudesmadien-12,8-olide
(4R,4aR,5S,5aS,6aR,6bS,7aS)-3,4,5,6b-tetramethyl-2-methylene-2,4,4a,5,5a,6,6a,6b,7,7a-decahydrocyclopropa[2,3]indeno[5,6-b]furan-4,5-diol|linderolide K
(1S,4aR,5S,8aR)-1,3,4,4a,5,8a-hexahydro-5-(hydroxymethyl)-1,4a,6-trimethyl-5,1-(epoxymethano)naphthalene-8,10(2H)-dione|loxocalyxins C
1alpha-hydroxy-3betaH-3alpha,4alpha-epoxy-4,10-dimethyl-5alphaH,7alphaH,8betaH,10alphaH-guai-11(13)-ene-7,8-olide
(1S,4S,5S,8S,10R)-1,10-epoxy-4-hydroxyguaia-7(11)-en-12,8-olide|multistalactone F
(2S)-13-hydroxypterosin A|(2S)-6-(1,2-dihydroxyethyl)-2,3-dihydro-2-(hydroxymethyl)-2,5,7-trimethyl-1H-inden-1-one
(1R,5S,7R,10R)-1-hydroxy-2-oxoeudesma-3,11(13)-dien-12-oic acid*dichloromethane
12-Demethylmulticaulin
A diterpenoid that is multicaulin in which the methoxy group at position 12 is replaced by a hydroxy group. A norabietane derivative, it is isolated from the roots of Salvia multicaulis and exhibits antitubercular activity.
Pentifylline
C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators > C04AD - Purine derivatives C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
3alpha-hydroxy-2-oxo-eremophila-1(10),11(13)-dien-12-oic acid
(1alpha,4alpha,8beta)-1,4-Dihydroxy-2,11(13)-eudesmadien-12,8-olide|1alpha,4alpha-dihydroxy-2,3-dehydro-5,6-dihydroalantolactone
(+)-(5R,7S,9R,10S)-7-hydroxy-7,12-epidioxycadinan-3,6(11)-dien-2-one|7-hydroxy-7,12-epidioxycadinan-3,6(11)-dien-2-one
(6??OH)-form-6-Hydroxy-3-oxo-5(10)-pinguisen-11, 6-olide|6alpha-hydroxy-3-oxo-pinguis-5(10)-ene-11,6-olide
6alpha,9alpha-dihydroxy-4(13),7-coloratadien-11,12-dial|6alpha,9alpha-dihydroxy-4(13),7-coloratadiene-11,12-dial
1-(2,2-Dimethyl-5,7-dimethoxy-2H-1-benzopyran-8-yl)ethanol
3-Isobutyryl-6,7-dihydro-2-isopropylpyrazolo[1,5-a]pyridine-6,7-diol
Zedoarofuran
Zedoarofuran is a natural product found in Curcuma zedoaria with data available.
Curcolonol
Curcolonol is a sesquiterpenoid. Curcolonol is a natural product found in Chloranthus multistachys and Curcuma zedoaria with data available.
6β-Hydroxytomentosin
Mianserin
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents 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 D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants CONFIDENCE standard compound; EAWAG_UCHEM_ID 3274
Abscisic Acid
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.880 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.877 Abscisic acid ((S)-(+)-Abscisic acid), an orally active phytohormone in fruits and vegetables, is an endogenously produced mammalian hormone. Abscisic acid is a growth inhibitor and can regulate many aspects of plant growth and development. Abscisic acid inhibits proton pump (H+-ATPase) and leads to the plasma membrane depolarization in a Ca2+-dependent manner. Abscisic acid, a LANCL2 natural ligand, is a potent insulin-sensitizing compound and has the potential for pre-diabetes, type 2 diabetes and metabolic syndrome[1][2]. Abscisic acid ((S)-(+)-Abscisic acid), an orally active phytohormone in fruits and vegetables, is an endogenously produced mammalian hormone. Abscisic acid is a growth inhibitor and can regulate many aspects of plant growth and development. Abscisic acid inhibits proton pump (H+-ATPase) and leads to the plasma membrane depolarization in a Ca2+-dependent manner. Abscisic acid, a LANCL2 natural ligand, is a potent insulin-sensitizing compound and has the potential for pre-diabetes, type 2 diabetes and metabolic syndrome[1][2].
(3aR,6R,7aR)-6-methyl-3-methylidene-6-(4-oxopentyl)-3a,4,7,7a-tetrahydro-1-benzofuran-2,5-dione
2-[(2-amino-3-methylbutanoyl)amino]-3-phenylpropanoic acid
(E)-2,6-dihydroxy-2-(2-hydroxy-4-methylphenyl)-6-methylhept-4-en-3-one
(2R,3R,4S,5S,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol
LID_265.1546_9.2
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 803 INTERNAL_ID 803; CONFIDENCE Tentative identification: most likely structure (Level 3)
C15H20O4_Azuleno[5,6-c]furan-1(3H)-one, 4,4a,5,6,7,9-hexahydro-3,4-dihydroxy-6,6,8-trimethyl
C15H20O4_2(3H)-Furanone, dihydro-3-methylene-4-[(2E)-3-methyl-4-(tetrahydro-4-methyl-5-oxo-2-furanyl)-2-buten-1-yl]-, (4R)
C15H20O4_(9E)-11a-Hydroxy-3,6,10-trimethyl-7,8,11,11a-tetrahydrocyclodeca[b]furan-2,5(4H,6H)-dione
C15H20O4_1H-3a,6-Epoxyazulene-7-acetic acid, octahydro-4,8a-dimethyl-alpha-methylene-1-oxo-, (3aR,4S,6S,7R,8aS)
C15H20O4_Spiro[4.5]dec-6-ene-1-carboxylic acid, 6-ethyl-7,9-dimethyl-4,8-dioxo
C15H20O4_(6Z,10E)-4-Hydroxy-6-(hydroxymethyl)-10-methyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one
C15H20O4_Cyclodeca[b]furan-6-carboxylic acid, 2,3,3a,4,5,8,9,11a-octahydro-3,10-dimethyl-2-oxo-, (3S,3aS,6Z,10E,11aS)
C15H20O4_3a-Hydroxy-3,5a,9-trimethyl-3a,5,5a,6,7,9b-hexahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
C15H20O4_1a,5,7a-Trimethyl-2,2a,6,6a,7a,8,9,9a-octahydrobisoxireno[4,5:8,9]cyclodeca[1,2-b]furan-4(1aH)-one
(5E)-4,9-dihydroxy-6-methyl-3,10-dimethylidene-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
(6Z,10E)-4-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
3a-hydroxy-3,5a,9-trimethyl-3,4,5,6,7,9b-hexahydrobenzo[g][1]benzofuran-2,8-dione
(4R)-3-methylidene-4-[(E)-3-methyl-4-(4-methyl-5-oxooxolan-2-yl)but-2-enyl]oxolan-2-one
(3aR,4R,5aS,6S,9aR,9bS)-4,6-dihydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.0³,⁵.0⁸,¹⁰]pentadec-1(15)-en-14-one
1alpha-Hydroxy-1-desoxotamirin
Origin: Plant; SubCategory_DNP: Sesquiterpenoids
(3aR,6R,7aR)-6-methyl-3-methylidene-6-(4-oxopentyl)-3a,4,7,7a-tetrahydro-1-benzofuran-2,5-dione [IIN-based on: CCMSLIB00000847575]
(3aR,6R,7aR)-6-methyl-3-methylidene-6-(4-oxopentyl)-3a,4,7,7a-tetrahydro-1-benzofuran-2,5-dione [IIN-based: Match]
Hulupinic acid
[Raw Data] CBA94_Hulupinic-acid_neg_50eV.txt [Raw Data] CBA94_Hulupinic-acid_neg_40eV.txt [Raw Data] CBA94_Hulupinic-acid_neg_30eV.txt [Raw Data] CBA94_Hulupinic-acid_neg_20eV.txt [Raw Data] CBA94_Hulupinic-acid_neg_10eV.txt [Raw Data] CBA94_Hulupinic-acid_pos_50eV.txt [Raw Data] CBA94_Hulupinic-acid_pos_40eV.txt [Raw Data] CBA94_Hulupinic-acid_pos_30eV.txt [Raw Data] CBA94_Hulupinic-acid_pos_20eV.txt [Raw Data] CBA94_Hulupinic-acid_pos_10eV.txt
5,10,15-trimethyl-4,9,13-trioxatetracyclo[10.3.0.0³,⁵.0⁸,¹⁰]pentadec-1(15)-en-14-one_major
(5E)-4,9-dihydroxy-6-methyl-3,10-dimethylidene-4,7,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-2-one_major
(6Z,10E)-4-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one_major
(6Z,10E)-4-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one_minor
Vorinostat
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XH - Histone deacetylase (hdac) inhibitors D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D000970 - Antineoplastic Agents
2H-Indol-2-one, 1,3-dihydro-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-
Dormin
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids D006133 - Growth Substances > D010937 - Plant Growth Regulators (±)-Abscisic acid is an orally active plant hormone that is present also in animals. (±)-Abscisic acid (ABA) contributes to the regulation of glycemia in mammals[1]. (±)-Abscisic acid is an orally active plant hormone that is present also in animals. (±)-Abscisic acid (ABA) contributes to the regulation of glycemia in mammals[1]. Abscisic acid ((S)-(+)-Abscisic acid), an orally active phytohormone in fruits and vegetables, is an endogenously produced mammalian hormone. Abscisic acid is a growth inhibitor and can regulate many aspects of plant growth and development. Abscisic acid inhibits proton pump (H+-ATPase) and leads to the plasma membrane depolarization in a Ca2+-dependent manner. Abscisic acid, a LANCL2 natural ligand, is a potent insulin-sensitizing compound and has the potential for pre-diabetes, type 2 diabetes and metabolic syndrome[1][2]. Abscisic acid ((S)-(+)-Abscisic acid), an orally active phytohormone in fruits and vegetables, is an endogenously produced mammalian hormone. Abscisic acid is a growth inhibitor and can regulate many aspects of plant growth and development. Abscisic acid inhibits proton pump (H+-ATPase) and leads to the plasma membrane depolarization in a Ca2+-dependent manner. Abscisic acid, a LANCL2 natural ligand, is a potent insulin-sensitizing compound and has the potential for pre-diabetes, type 2 diabetes and metabolic syndrome[1][2].
Phe-Val
A dipeptide formed from L-phenylalanine and L-valine residues.
Val-phe
A dipeptide formed from L-valine and L-phenylalanine residues.
Pterosin L
O-Formyloreadone
(1beta,8beta)-1,8-Dihydroxy-3,7(11)-eudesmadien-12,8-olide
3-Epiarmefolin
Istanbulin A
Umbellifolide
(8betaOH,10beta)-8-Hydroxy-3-oxo-7(11)-eremophilen-12,8-olide
2-(2-Methylpropanoyl)-4-prenylphloroglucinol
1a,5,7a-Trimethyl-2,2a,6,6a,7a,8,9,9a-octahydrobisoxireno[4,5:8,9]cyclodeca[1,2-b]furan-4(1aH)-one
(R)-2-trans-abscisic acid
Graphilane
n-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimidamide
tert-Butyl 2-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-8-ylcarbamate
1-[2-AMINO-1-(2-METHOXY-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID
4-Boc-7-Hydroxy-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
(s)-6-methoxy-2,5,7,8-tetramethylchromane-2-carboxylic acid
4-(5,5-DIMETHYL-[1,3,2]DIOXABORINAN-2-YL)-1-(TETRAHYDROPYRAN-2-YL)-1H-PYRAZOLE
2-(3,4-Dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-(2-BENZYLOXY-ETHYL)-3-OXO-BUTYRIC ACID ETHYL ESTER
3-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde
tert-butyl N-(5-methoxy-4-prop-2-enylpyridin-3-yl)carbamate
4,5-dihydro-1-phenyl-3-(2,4,6-trimethylphenyl)-1H-pyrazole
1-(oxolan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
TERT-BUTYL 5-METHOXY-3,4-DIHYDRO-1,7-NAPHTHYRIDINE-1(2H)-CARBOXYLATE
1-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL]-2-BUTANONE
TERT-BUTYL 6-METHOXY-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE
tert-Butyl (2-(piperidin-4-yl)ethyl)carbamate hydrochloride
2-(2,6-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
3-(2-piperidin-1-ium-4-ylethyl)-1H-indole,chloride
[2-(1 H-INDOL-3-YL)-ETHYL]-(2-METHYL-BENZYL)-AMINE
(R)-tert-Butyl 2-propylpiperazine-1-carboxylate hydrochloride
2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenemethanol
tert-butyl N-[(4-aminocyclohexyl)methyl]carbamate,hydrochloride
(R)-TERT-BUTYL (1-AMINO-1-OXO-3-PHENYLPROPAN-2-YL)CARBAMATE
3,6,9-triethyl-3,6,9-trimethyl-1,4,7-triperoxynonane
[2-(1 h-indol-3-yl)-ethyl]-(3-methyl-benzyl)-amine
2-(4-MORPHOLINYL)-PYRIDINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER
4-[4-(1-aminoethyl)-2-cyclopropylpyrimidin-5-yl]benzonitrile
4-(2-(4-methylpiperazin-1-yl)ethoxy)phenylboronic acid
Carbamic acid, N-[[4-[(hydroxyimino)methyl]phenyl]methyl]-N-methyl-, 1,1-dimethylethyl ester
4-((4-(2-hydroxyethyl)piperazin-1-yl)Methyl)phenylboronic acid
TRANS-4-(BOC-AMINO)-CYCLOHEXANEMETHANAMINE HYDROCHLORIDE
tert-butyl 2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate
(S)-TERT-BUTYL 3-((DIMETHYLAMINO)METHYL)PYRROLIDINE-1-CARBOXYLATE HYDROCHLORIDE
(3-(2-(4-Methylpiperazin-1-yl)ethoxy)phenyl)boronic acid
(S)-BENZYL (1-AMINO-4-METHYL-1-OXOPENTAN-2-YL)CARBAMATE
2-(3,5-Dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-[4-(methoxymethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-(4-AMINO-1-(3-METHOXYPHENYL)PIPERIDIN-4-YL)ACETIC ACID
2-(4-AMINO-1-(4-METHOXYPHENYL)PIPERIDIN-4-YL)ACETIC ACID
4-ETHYLAMINO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER-HCl
tert-butyl 3-propan-2-ylpiperazine-1-carboxylate,hydrochloride
tert-butyl 3-propylpiperazine-1-carboxylate,hydrochloride
Vabicaserin hydrochloride
C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist Vabicaserin hydrochloride is a 5-hydroxytryptamine 2C (5-HT2C) receptor-selective agonist with an EC50 of 8 nM.
2-Amino-6-methyl-4-(3-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-(2-amino-3-phenylpropanamido)-3-methylbutanoic acid
4-[[Diethylamino(oxo)methyl]amino]benzoic acid ethyl ester
2-Hexyloxy-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol
Propacetamol
N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BE - Anilides C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
2-amino-4-pyridin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
(3Z)-dodec-3-en-1-yl hydrogen sulfate
A sulfuric ester obtained by the formal condensation of (3Z)-dodec-3-en-1-ol with sulfuric acid.
4-[2-Hydroxy-3-(propan-2-ylamino)propoxy]-1,3-dihydroindol-2-one
(1R,5S)-7-[4-(3-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
Xylopyranose, 2,3,4-tri-O-methyl-1-O-(trimethylsilyl)-
Trimethylsilyl 2-(2-(2-ethoxyethoxy)ethoxy)acetate
Trimethyl[4-(2-methyl-4-oxo-2-pentyl)phenoxy]silane
streptidine(2+)
A guanidinium ion obtained by protonation of both guanidino groups of streptidine; major species at pH 7.3.
(13r,14z)-14-ethylidene-12-methylidene-1,10-diazatetracyclo[11.2.2.0³,¹¹.0⁴,⁹]heptadeca-3(11),4,6,8-tetraene
n-[(5s,7r,7as)-7-hydroxy-5,7a-dimethyl-1-oxo-6,7-dihydro-5h-pyrrolizin-3-yl]-3-methylbut-2-enamide
2-[(3-amino-1-hydroxy-3-methylbutylidene)amino]-3-phenylpropanoic acid
n-[(5r,6r,7ar)-6-hydroxy-5,7a-dimethyl-1-oxo-6,7-dihydro-5h-pyrrolizin-3-yl]-3-methylbut-2-enamide
7,8-dimethyl-2-(1-methylethyl)phenanthren-3-ol
{"Ingredient_id": "HBIN012991","Ingredient_name": "7,8-dimethyl-2-(1-methylethyl)phenanthren-3-ol","Alias": "NA","Ingredient_formula": "C19H20O","Ingredient_Smile": "CC1=C(C2=C(C=C1)C3=CC(=C(C=C3C=C2)C(C)C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6373","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
