Exact Mass: 220.1012
Exact Mass Matches: 220.1012
Found 500 metabolites which its exact mass value is equals to given mass value 220.1012,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
5-Hydroxytryptophan
5-hydroxytryptophan is a tryptophan derivative that is tryptophan substituted by a hydroxy group at position 5. It has a role as a human metabolite and a neurotransmitter. 5-Hydroxytryptophan, DL- is a racemic mixture of 5-hydroxytryptophan (5-HTP), a precursor to the neurotransmitter serotonin with anti-depressant, analgesic and appetite-suppressant activities. DL-5-HTP is decarboxylated to serotonin by aromatic-L-amino-acid decarboxylase, and results in increased serotonin levels within the brain. Mediated through serotonin receptors, elevated levels of serotonin causes increased serotonin neurotransmissions, hence leading to release of depression, pain and appetite. 5-Hydroxy-L-tryptophan is an aromatic amino acid naturally produced by the body from the essential amino acid l-tryptophan. 5-Hydroxy-L-tryptophan is the immediate precursor of the neurotransmitter serotonin. The conversion to serotonin is catalyzed by the enzyme aromatic l-amino acid decarboxylase (EC 4.1.1.28, AADC1 also known as dopa decarboxylase), an essential enzyme in the metabolism of the monoamine neurotransmitters. An accumulation of 5-Hydroxy-L-tryptophan in cerebrospinal fluid occurs in Aromatic l-amino acid decarboxylase deficiency (OMIM 608643), accompanied by an increased excretion in the urine of the patients, which are indicative of the disorder but not specific 5-Hydroxy-L-tryptophan is also increased in other disorders such as in Parkinsons patients with severe postural instability and gait disorders. Confirmation of the diagnosis AADC deficiency is then required by enzyme activity measurement or genetic analysis. The amount of endogenous 5-Hydroxy-L-tryptophan available for serotonin synthesis depends on the availability of tryptophan and on the activity of various enzymes, especially tryptophan hydroxylase (EC 1.14.16.4), indoleamine 2,3-dioxygenase (EC 1.13.11.52), and tryptophan 2,3-dioxygenase. (EC 1.13.11.11, TDO). 5-Hydroxy-L-tryptophan has been used clinically for over 30 years. In addition to depression, the therapeutic administration of 5-Hydroxy-L-tryptophan has been shown to be effective in treating a wide variety of conditions, including fibromyalgia, insomnia, binge eating associated with obesity, cerebellar ataxia, and chronic headaches. 5-Hydroxy-L-tryptophan easily crosses the blood-brain barrier and effectively increases central nervous system (CNS) synthesis of serotonin. Supplementation with 5-Hydroxy-L-tryptophan is hypothesized to normalize serotonin synthesis, which is putatively related to its antidepressant properties. (A3384, A3385, A3386). The immediate precursor in the biosynthesis of SEROTONIN from tryptophan. It is used as an antiepileptic and antidepressant. D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents A tryptophan derivative that is tryptophan substituted by a hydroxy group at position 5. 5-Hydroxytryptophan, a tryptophan metabolite, is a direct 5-hydroxytryptamine (5-HT) precursor and an L-aromatic amino acid decarboxylase substrate. [1][2][3]. 5-Hydroxytryptophan, a tryptophan metabolite, is a direct 5-hydroxytryptamine (5-HT) precursor and an L-aromatic amino acid decarboxylase substrate. [1][2][3].
N-Acetyl-b-glucosaminylamine
N-Acetyl-b-glucosaminylamine is the product of a reaction catalyzed vy the enzyme N(4)-(beta-N-acetylglucosaminyl)-L-asparaginase [EC 3.5.1.26, Aspartylglucosaminidase, AGA]. AGA is a key enzyme in the catabolism of N-linked oligosaccharides of glycoproteins. It cleaves the asparagine from the residual N-acetylglucosamines as one of the final steps in the lysosomal breakdown of glycoproteins. Aspartylglucosaminuria (AGU) is a lysosomal disease caused by deficiency of N-aspartyl-beta-glucosaminidase. AGU is the only known lysosomal storage disease caused by an amidase deficiency. (OMIM208400).
Precocene II
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals Precocene II is the insect antijuvenile hormone[1].
1,2-Dimethoxy-4-[2-(2-propenyloxy)ethenyl]-benzene
4-Hydroxy-l-tryptophan
An optically active form of 4-hydroxytryptophan having L-configuration.
1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanone
1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanone is found in root vegetables. 1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanone is a constituent of Polymnia sonchifolia (yacon)
Threonylthreonine
Threonylthreonine is a dipeptide composed of two threonine residues. 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.
Alanylmethionine
Alanylmethionine is a dipeptide composed of alanine and methionine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Cysteinyl-Valine
Cysteinyl-Valine is a dipeptide composed of cysteine and valine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Methionyl-Alanine
Methionyl-Alanine is a dipeptide composed of methionine and alanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Valylcysteine
Valylcysteine is a dipeptide composed of valine and cysteine. 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.
Ethyl methyl-p-tolylglycidate
Ethyl methyl-p-tolylglycidate is a flavouring ingredient. Flavouring ingredient
Ethyl 2-benzylacetoacetate
Ethyl 2-benzylacetoacetate is a flavouring ingredient. Flavouring ingredient
2,4-Diamino-6,7-dimethoxyquinazoline
2,4-Diamino-6,7-dimethoxyquinazoline is a metabolite of prazosin. Prazosin, trade names Minipress, Vasoflex, Pressin and Hypovase, is a sympatholytic drug used to treat high blood pressure and anxiety, PTSD, and panic disorder. It is an alpha-adrenergic blocker. Specifically, prazosin is selective for the alpha-1 receptors on vascular smooth muscle. These receptors are responsible for the vasoconstrictive action of norepinephrine, which would normally raise blood pressure and cause increase in anxiety and panic. (Wikipedia)
p-Hydroxyl-ethotoin
p-Hydroxyl-ethotoin is a metabolite of ethotoin. Ethotoin (marketed as Peganone by Ovation) is an anticonvulsant drug used in the treatment of epilepsy. It is a hydantoin, similar to phenytoin. Ethotoin lacks phenytoins side effects of gingival hyperplasia and hirsutism, however it is less effective. This, combined with the need for frequent dosing has limited its usefulness. Ethotoin is no longer widely used. (Wikipedia)
3-Hexenyl salicylic acid
3-Hexenyl salicylic acid belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
cis-3-Hexenyl salicylate
cis-3-Hexenyl salicylate belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
1,2-O-Isopropylidene-D-glucofuranose
Xylazine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
1-[2-Hydroxy-5-(1-hydroxyethyl)phenyl]-3-methyl-2-buten-1-one
xylazine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
9-Acetoanthracene
CONFIDENCE standard compound; INTERNAL_ID 8170 CONFIDENCE standard compound; INTERNAL_ID 8025
9-(methylsulfinyl)nonanoic acid
A monocarboxylic acid that is nonanoic acid in which one of the methyl hydrogens at position 9 has been replaced by a methylsulfinyl group.
4-amino-6,7-dimethoxy-3-quinolinol hydrochloride hydrate
3-(4-Methoxy-2-vinylphenyl)propanoic acid methyl ester
(2S,10S)-10,12-Dihydro-11-hydroxytremeton|(2S,10S)-10,12-Dihydro-11-hydroxytremetone
9-(Thienyl-(2))-non-6-en-8-in-3-ol|9--non-6-en-8-in-3-ol|9--nonen-(6)-in-(8)-ol-(3)
3beta-hydroxy-5-(1-hydroxyethyl)-2alpha-propen-2-yl-dihydrobenzofuran|3beta-hydroxy-5-<1-hydroxyethyl>-2alpha-propen-2-yl-dihydrobenzofuran
4H-1-Benzopyran-4-one, 2,3-dihydro-6-(1-hydroxyethyl)-2,2-dimethyl-
2,3,6-Tri-O-methyl-D-galactono-1,4-lacton|2,3,6-tri-O-methyl-D-galactono-gamma-lactone|2,3,6-Tri-O-methyl-D-galactonsaeure-gamma-lacton|2,3,6-Tri-O-methyl-D-galaktono-1,4-lacton|O2,O3,O6-trimethyl-D-galactonic acid-4-lactone|O2,O3,O6-Trimethyl-D-galactonsaeure-1,4-lacton|O2,O3,O6-Trimethyl-D-galactonsaeure-4-lacton
1beta,6beta,7alphab,8alpha,10-pentahydroxy-cis-2-oxabicyclo[4.3.0]nonane
(+)-(8S,8R)-4-hydroxy-5-methoxy-1,2,3,4,5,6-hexanor-2,7-cyclolignan-7-one|7-hydroxy-6-methoxy-2,3-dimethyl-3,4-dihydronaphthalen-1(2H)-one|cinnamophilin D
(4E)-1-(2,4-dihydroxy-3-methylphenyl)hex-4-en-1-one|dihydrodemethylsorbicillin
2-Buten-1-one, 1-(2-hydroxy-5-(1-hydroxyethyl)phenyl)-3-methyl-
6-(2-Hydroxyethyl)-2,3-dihydro-2,2-dimethyl-4H-1-benzopyran-4-one
1,2-dihydro-indolo[2,3-a]quinolizine|Dihydroindolopyridocolin
Oxitriptan
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 0.053 N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants relative retention time with respect to 9-anthracene Carboxylic Acid is 0.054 L-5-Hydroxytryptophan (L-5-HTP), a naturally occurring amino acid and a dietary supplement for use as an antidepressant, appetite suppressant, and sleep aid, is the immediate precursor of the neurotransmitter serotonin and a reserpine antagonist[1]. L-5-Hydroxytryptophan (L-5-HTP) is used to treat fibromyalgia, myoclonus, migraine, and cerebellar ataxia[2][3][4][5].
5-hydroxytryptophan
5-Hydroxytryptophan, a tryptophan metabolite, is a direct 5-hydroxytryptamine (5-HT) precursor and an L-aromatic amino acid decarboxylase substrate. [1][2][3]. 5-Hydroxytryptophan, a tryptophan metabolite, is a direct 5-hydroxytryptamine (5-HT) precursor and an L-aromatic amino acid decarboxylase substrate. [1][2][3].
L-5-Hydroxytryptophan
L-5-Hydroxytryptophan (L-5-HTP), a naturally occurring amino acid and a dietary supplement for use as an antidepressant, appetite suppressant, and sleep aid, is the immediate precursor of the neurotransmitter serotonin and a reserpine antagonist[1]. L-5-Hydroxytryptophan (L-5-HTP) is used to treat fibromyalgia, myoclonus, migraine, and cerebellar ataxia[2][3][4][5].
Cotarnine
Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Tetrahydroisoquinoline alkaloids
2-Acetamido-2-deoxy-β-D-glucosylamine
Ala-met
A dipeptide formed from L-alanyl and L-methionine residues.
Met-ala
A dipeptide formed from L-methionine and L-alanine residues.
Ascaroside C3
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 3-hydroxypropanoic acid with ascarylopyranose (the alpha anomer). A major component of the dauer pheromone of the nematode Caenorhabditis elegans, it synergises with ascr#2 and ascr#3 as a population-density signal to promote entry into an alternate larval stage, the nonfeeding and highly persistent dauer diapause. Ascr#5 is a highly conserved ascaroside isolated from Caenorhabditis elegans. Ascaroside C3. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=1086696-26-5 (retrieved 2024-08-21) (CAS RN: 1086696-26-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Silane, [(3-ethyl-4-fluorophenyl)ethynyl]trimethyl- (9CI)
trans-1-methyl-4-carboxy-5-(3-pyridyl)-2-pyrrolidinone
2-Benzothiazolamine,6-(1,1-dimethylethyl)-N-methyl-(9CI)
ETHYL 5-METHOXY-1H-PYRROLO[2, 3-C]PYRIDINE-2-CARBOXYLATE
2-Propenoic acid,3-(4-methoxyphenyl)-,1-methylethyl ester
Pyrido[3,2-e]-as-triazine-3-carboxylic acid, 1,2-dihydro-1-methyl-, ethyl ester (8CI)
2-(2,3-Dihydro-1H-inden-5-yloxy)-2-methylpropanoic acid
3-(Dimethylamino)-1-(4-nitrophenyl)prop-2-en-1-one
ethyl 5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate
METHYL (5-METHOXY-2,3-DIHYDRO-1H-INDEN-1-YL)ACETATE
2,4-DIHYDRO-5-(3,4-DIMETHOXYPHENYL)-3H-PYRAZOL-3-ONE
4,6-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxylic acid
methyl 7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
methyl 6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
methyl5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
4-(1,1-Dimethylethyl)phenol,polymer with formaldehyde,compound with magnesium oxide
1-(4-FLUOROPHENYL)-5-METHYLTHIO-3-PHENYL-1H-PYRAZOLE
N-Methoxy-N,3-dimethyl-3H-imidazo[4,5-b]pyridine-6-carboxamide
BENZYL-(4,4-DIMETHYL-4,5-DIHYDRO-THIAZOL-2-YL)-AMINE
3-[3-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoic acid
[2-(aminomethyl)-5-(prop-2-enoylamino)phenyl]boronic acid
ethyl 3-(hydroxymethyl)imidazo[1,2-a]pyridine-8-carboxylate
5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylic acid
5-ETHOXYCARBONYL-1H-HEXAHYDROPYRROLO[3,4-B]PYRROLE HYDROCHLORIDE
ETHYL 3-(2-FURYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXYLATE
(E)-(3-(3-Ethoxy-3-oxoprop-1-en-1-yl)phenyl)boronic acid
3-(2-HYDROXYMETHYL-BENZOIMIDAZOL-1-YL)-PROPIONIC ACID
ethyl 5-cyano-2-ethyl-1,6-dihydro-6-oxo-3-pyridinecarboxylate
Benzenepropanoic acid, a-ethyl-b-oxo-, ethyl ester
4-Methoxy-3-((trimethylsilyl)ethynyl)pyridin-2-amine
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanol
4-(E-3-Ethoxy-3-oxo-1-propen-1-yl)phenylboronic acid
Ethyl 5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
3-OXO-3-(2,4,6-TRIMETHYLPHENYL)PROPIONIC ACID METHYL ESTER
1-(4-FLUOROPHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBOXYLICACID
ETHYL 5-(2-FURYL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLATE
(3S)-(-)-3-(TRIFLUOROACETAMIDO)PYRROLIDINEHYDROCHLORIDE
methyl 8-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
methyl 5-cyano-6-propan-2-yloxypyridine-3-carboxylate
(4-(1-(Methoxycarbonyl)cyclopropyl)phenyl)boronic acid
1,2,4-Triazolo[4,3-a]pyrazine, 5,6,7,8-tetrahydro-5,5-dimethyl-3-(trifluoromethyl)-
Ethyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
ethyl 4-Methoxy-2,3-dihydro-1H-indene-2-carboxylate
(E)-3-(3,4-DIMETHOXYPHENYL)-1-(3-HYDROXYPHENYL)-1-PROPENONE
Cicloxilic acid
C78276 - Agent Affecting Digestive System or Metabolism > C66913 - Cholagogues or Choleretic Agents
(1S,2R,3S,5R)-2-(Benzyloxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol
1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
ethyl 2-(5-hydroxy-2,3-dihydro-1H-inden-2-yl)acetate
ethyl 6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
2-[(tetrahydro-2H-pyran-2-yloxy)methyl]benzaldehyde
Ethyl 7-amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
1-[2-HYDROXY-4-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-ETHANONE
ethyl 4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
5-methyl-2-phenyl-1,3,2-dioxaborinane-5-carboxylic acid
piperidin-4-yl-carbamic acid allyl ester hydrochloride
3-(4-Methoxyphenyl)-2-propenoic acid, propyl ester
3-(trifluoromethyl)-5,6,7,8-tetrahydro-5,8-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine
4-(2-Methoxyphenyl)tetrahydro-2H-pyran-4-carboxaldehyde
N-Acetyl-β-D-glucosamine
Beta-n-acetylglucosamine, also known as glcnac-beta or 2-acetamido-2-deoxy-D-glucose, is a member of the class of compounds known as acylaminosugars. Acylaminosugars are organic compounds containing a sugar linked to a chain through N-acyl group. Beta-n-acetylglucosamine is soluble (in water) and a very weakly acidic compound (based on its pKa). Beta-n-acetylglucosamine can be found primarily in feces and saliva. Within the cell, beta-n-acetylglucosamine is primarily located in the cytoplasm.
2-Hydroxy-L-tryptophan
An optically active form of 2-hydroxytryptophan having L-configuration.
2,4-Dioxaspiro[5.5]undec-8-ene, 3-(2-furanyl)-
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C783 - Protease Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
4-[(4-Fluorophenyl)hydrazinylidene]pyrazole-3,5-diamine
(1R,2S)-2-Hydroxy-2-phenyl-cyclohexanecarboxylic acid
Cyclohexyl 2-hydroxybenzoate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
trans-2-Hexenyl salicylate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates D020011 - Protective Agents > D011837 - Radiation-Protective Agents > D013473 - Sunscreening Agents D003879 - Dermatologic Agents D003358 - Cosmetics
(2S)-2-ammonio-3-(5-hydroxy-1H-indol-3-yl)propanoate
3-[4-Amino-3-hydroxybutyl]-hydroxy-carbamoyl-propanoate
(2S)-2-azaniumyl-3-(4-hydroxy-1H-indol-3-yl)propanoate
(2~{S},3~{R})-2-azanyl-3-(1~{H}-indol-3-yl)-3-oxidanyl-propanoic acid
4-[[(3S)-4-amino-3-hydroxybutyl]-hydroxyamino]-4-oxobutanoic acid
(+)-(8S,8R)-4-hydroxy-5-methoxy-1,2,3,4,5,6-hexanor-2,7-cyclolignan-7-one
A lignan that is 3,4-dihydronaphthalen-1(2H)-one substituted by a hydroxy group at position 7, a methoxy group at position 6 and methyl groups at positions 2 and 3 (the 2R,3S-stereoisomer). It has been isolated from the bark of Machilus robusta.
(+)-(8R,8R)-4-hydroxy-5-methoxy-1,2,3,4,5,6-hexanor-2,7-cyclolignan-7-one
A lignan that is 3,4-dihydronaphthalen-1(2H)-one substituted by a hydroxy group at position 7, a methoxy group at position 6 and methyl groups at positions 2 and 3 (the 2R,3R-stereoisomer). It has been isolated from the barks of Machilus robusta.
1D-1-guanidiniumyl-1-deoxy-3-dehydro-scyllo-inositol(1+)
1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazolin-11-ol
N-(3,4,5,6-tetrahydroxy-1-iminohexan-2-yl)acetamide
N(delta)-hydroxy-N(omega)-hydroxy-N(omega)-methyl-L-arginine
2-[(2-Aminoacetyl)amino]-3-phenylprop-2-enoic acid
N-hydroxytetrahomomethioninate
Conjugate base of N-hydroxytetrahomomethionine.
tricholignan A
A methylcatechol that is benzene substituted by hydroxy, hydroxy, (3E)-penta-1,3-dien-1-yl, methyl and methoxy groups at positions 1, 2, 3, 4 and 5, respectively. It is an iron(III)-reducing natural product isolated from the ascomycota Trichoderma harzianum.
4-(2-Acetamidoethylsulfanyl)-2-amino-butanoic acid
(2S)-2-amino-5-[hydroxy-(N-hydroxy-N-methylcarbamimidoyl)amino]pentanoic acid
1,5-Dimethyl-3-phenyl-6,7,8-trioxabicyclo(3.2.1)octane
Precocene II
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals Precocene II is the insect antijuvenile hormone[1].
1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol
Met-Ala zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Met-Ala.
5-hydroxy-L-tryptophan zwitterion
An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of 5-hydroxy-L-tryptophan; major species at pH 7.3.
Leaf salicylate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
3-Hexenyl salicylate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
3-ethyl-5-(4-hydroxyphenyl)imidazolidine-2,4-dione
Thr-Thr zwitterion
A dipeptide zwitterion resulting from transfer of a proton from the carboxy to the amino group of L-threonyl-L-threonine; major species at pH 7.3.
3-hydroxy-L-tryptophan
A hydroxy-L-tryptophan which carries a hydroxy group at position 3.
N(delta),N'(omega)-Dihydroxy-N(omega)-methyl-L-arginine
4-methoxy-3-methyl-6-(3-methylpenta-1,3-dien-1-yl)pyran-2-one
(3s,4r)-6,8-dihydroxy-3,4,5-trimethyl-3,4-dihydro-2h-naphthalen-1-one
1-{2-hydroxy-5-[(1r)-1-hydroxyethyl]phenyl}-3-methylbut-2-en-1-one
1-[(3s)-3-hydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl]ethanone
(2r,3s)-5-[(1s)-1-hydroxyethyl]-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-3-ol
4-(hexa-2,4-dien-1-yl)-3-(2-oxopropyl)-5h-furan-2-one
2-methoxy-3-methyl-6-(3-methylpenta-1,3-dien-1-yl)pyran-4-one
(7s,8r,8ar)-8-hydroxy-7-methyl-3-[(1e)-prop-1-en-1-yl]-1,7,8,8a-tetrahydroisochromen-6-one
104331-87-5
{"Ingredient_id": "HBIN000034","Ingredient_name": "104331-87-5","Alias": "(5aR,9aR)-5a-methyl-4,5,6,8,9,9a-hexahydro-1H-benzo[e]isobenzofuran-3,7-dione; (5aR,9aR)-5a-methyl-4,5,6,8,9,9a-hexahydro-1H-benzo[e]isobenzofuran-3,7-quinone; (5aR,9aR)-5a-methyl-4,5,6,8,9,9a-hexahydro-1H-benzo[g][2]benzoxole-3,7-dione","Ingredient_formula": "C13H16O3","Ingredient_Smile": "CC12CCC3=C(C1CCC(=O)C2)COC3=O","Ingredient_weight": "220.26 g/mol","OB_score": "54.8453737","CAS_id": "104331-87-5","SymMap_id": "SMIT05372","TCMID_id": "NA","TCMSP_id": "MOL003269","TCM_ID_id": "NA","PubChem_id": "190797","DrugBank_id": "NA"}
4-hydroxy-3-(2-hydroxy-3-isopentenyl)aceto-phenone
{"Ingredient_id": "HBIN010461","Ingredient_name": "4-hydroxy-3-(2-hydroxy-3-isopentenyl)aceto-phenone","Alias": "NA","Ingredient_formula": "C13H16O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10181","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
