Exact Mass: 336.0845
Exact Mass Matches: 336.0845
Found 143 metabolites which its exact mass value is equals to given mass value 336.0845,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Altersolanol A
CONFIDENCE isolated standard
Dattelic acid
Isolated from Pteridium aquilinum (bracken fern) and from unripe dates (tentative ident.). Dattelic acid is found in many foods, some of which are green vegetables, fruits, date, and blackcurrant. Dattelic acid is found in blackcurrant. Dattelic acid is isolated from Pteridium aquilinum (bracken fern) and from unripe dates (tentative ident.). 5-O-Caffeoylshikimic acid can be used in the study for NSCLC[1][2]. 5-O-Caffeoylshikimic acid can be used in the study for NSCLC[1][2].
Heterocladol
3-O-Caffeoylshikimic acid
3-O-Caffeoylshikimic acid is found in date. 3-O-Caffeoylshikimic acid is a constituent of dates (Phoenix dactylifera) Constituent of dates (Phoenix dactylifera). 3-O-Caffeoylshikimic acid is found in date and fruits. 5-O-Caffeoylshikimic acid can be used in the study for NSCLC[1][2]. 5-O-Caffeoylshikimic acid can be used in the study for NSCLC[1][2].
4-O-Caffeoylshikimic acid
4-O-Caffeoylshikimic acid is found in fruits. 4-O-Caffeoylshikimic acid is isolated from unripe dates (Phoenix dactylifera). Isolated from unripe dates (Phoenix dactylifera). 4-O-Caffeoylshikimic acid is found in fruits.
3-Caffeoyl-1,5-quinolactone
3-Caffeoyl-1,5-quinolactone is a polyphenol compound found in foods of plant origin (PMID: 20428313)
Juglone glucoside
Juglone glucoside is found in nuts. Juglone glucoside is isolated from pecan nuts. Isolated from pecan nuts. Juglone glucoside is found in nuts.
4-Caffeoyl-1,5-quinolactone
4-Caffeoyl-1,5-quinolactone is a polyphenol compound found in foods of plant origin (PMID: 20428313)
Captopril-cysteine disulfide
Captopril-cysteine disulfide is a metabolite of captopril. Captopril is an angiotensin-converting enzyme inhibitor used for the treatment of hypertension and some types of congestive heart failure. Captopril was the first ACE inhibitor developed and was considered a breakthrough both because of its novel mechanism of action and also because of the revolutionary development process. Captopril is commonly marketed by Bristol-Myers Squibb under the trade name Capoten. (Wikipedia)
6-Methyl-griseofulvin
6-Methyl-griseofulvin is a metabolite of griseofulvin. Griseofulvin (marketed under the proprietary name Grifulvin V by Orthoneutrogena Labs, according to FDA orange book) is an antifungal drug that is administered orally. It is used both in animals and in humans, to treat fungal infections of the skin (commonly known as ringworm) and nails. It is produced by culture of some strains of the mold Penicillium griseofulvum, from which it was isolated in 1939. (Wikipedia)
[1R-(1alpha,4alpha,4aalpha,7beta,8abeta)]-4-Bromo-7-chlorodecahydro-1,4a-dimethyl-7-(1-methylethyl)-1-naphthalenol
globosuxanthone B
A member of the class of xanthones that is methyl-9-oxo-2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate substituted by hydroxy groups at positions 1, 2 and 8 and a methoxy group at position 3 (the 1R,2R,3S stereoisomer). It has been isolated from Chaetomium globosum.
N-{4-[(6-Methoxy-2-methyl-4-pyrimidinyl)sulfamoyl]phenyl}acetamide
7-methoxy-2-(3,4,5-trihydroxy-phenyl)-chroman-3,4,5-triol
3-Chlor-2,4-dihydroxy-6,2-dimethoxy-4,6-dimethyl-benzophenon
8-Chloro-2-(2-phenylethyl)-5,6,7-trihydroxy-5,6,7,8-tetrahydrochromone
(5S,6S,7S,8R)-8-chloro-5,6,7-trihydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one is a natural product found in Aquilaria sinensis with data available.
Dattelic acid
5-[(E)-caffeoyl]shikimic acid is a carboxylic ester obtained by formal condensation of the carboxy group of (E)-caffeic acid with the 5-hydroxy group of shikimic acid. It has a role as a plant metabolite. It is an alpha,beta-unsaturated monocarboxylic acid, a cyclohexenecarboxylic acid, a member of catechols and a carboxylic ester. It is functionally related to a shikimic acid and a trans-caffeic acid. It is a conjugate acid of a 5-[(E)-caffeoyl]shikimate. 5-O-Caffeoylshikimic acid is a natural product found in Smilax bracteata, Smilax corbularia, and other organisms with data available. See also: Stevia rebaudiuna Leaf (part of). Isolated from Pteridium aquilinum (bracken fern) and from unripe dates (tentative ident.). Dattelic acid is found in many foods, some of which are green vegetables, fruits, date, and blackcurrant. Dattelic acid is found in blackcurrant. Dattelic acid is isolated from Pteridium aquilinum (bracken fern) and from unripe dates (tentative ident.). 5-O-Caffeoylshikimic acid can be used in the study for NSCLC[1][2]. 5-O-Caffeoylshikimic acid can be used in the study for NSCLC[1][2].
2-(4a,9,10a-trihydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetic acid
(3R,4R,5R)-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4-dihydroxycyclohexene-1-carboxylic acid
2-(4a,9,10a-trihydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetic acid
2-(4a,9,10a-trihydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetic acid_major
3-Caffeoylquinic acid lactone
4-Caffeoylquinic acid lactone
Neodattelic acid
Juglone glucoside
Isodattelic acid
Clonixeril
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
1,2-DIMETHYL-3-SULFOPROPYL-5-TRIFLUOROMETHYLBENZIMIDAZOLIUM, INNER SALT
2-[(4-sulfamoylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid
Etifoxine hydrochloride
Etifoxine hydrochloride, a non-benzodiazepine GABAergic compound, is a positive allosteric modulator of α1β2γ2 and α1β3γ2 subunit-containing GABAA receptors. Etifoxine hydrochloride reveals anxiolytic and anticonvulsant properties in rodents[1][2][3].
4-[4-(3-chlorophenoxy)-3-oxobut-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
[3aa,4a(E),5b,6aa]-4-[4-(3-Chlorophenoxy)-3-oxo-1-butenyl]hexahydro-5-hydroxy-2H-cyclopenta[b]furan-2-one
6-(3,5-Difluoroanilino)-9-(2,2-difluoroethyl)purine-2-carbonitrile
Aspergillusone B
A member of the class of xanthones that is methyl (1R)-2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate substituted by hydroxy groups at positions 1, 2 and 8, a hydroxymethyl group at position 6 and an oxo group at position 9. It has been isolated from the sea fan derived fungus Aspergillus sydowii.
5-Amino-4-(1,3-benzothiazol-6-ylhydrazinylidene)-2-phenyl-3-pyrazolone
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
3-Amino-2-(4-methoxyphenyl)-7-nitro-1-oxo-4-isoquinolinecarbonitrile
2-{5-[Amino(iminio)methyl]-1H-benzimidazol-2-YL}-4-(trifluoromethoxy)benzenolate
4-[[1-(4-Chlorophenyl)triazol-4-yl]methoxy]quinoline
S-(hydroxymethyl)glutathione(1-)
Conjugate base of S-(hydroxymethyl)glutathione.
3-[(5-chloro-2-pyridinyl)amino]-2-(2-pyridinyl)-3H-isoindol-1-one
2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
4-(6-Fluoro-3-methyl-4-oxo-1-benzopyran-2-yl)-2-methyl-1-phthalazinone
2-ethoxy-N-[4-(2-pyrimidinylsulfamoyl)phenyl]acetamide
1-phenyl-6-[(2-pyrimidinylthio)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one
4-[(4-Carboxy-2,6-dimethoxyphenoxy)methyl]-5-methyl-2-furancarboxylic acid
2-[4-(Pyridin-4-ylmethylsulfamoyl)phenoxy]acetic acid methyl ester
3-[(2-chlorophenyl)methyl]-N-phenyl-7-triazolo[4,5-d]pyrimidinamine
4-[[5-(Difluoromethylthio)-4-methyl-1,2,4-triazol-3-yl]methoxy]-5-methylisoquinoline
5-[[2-Fluoro-4-(trifluoromethyl)anilino]methyl]-8-quinolinol
7-Amino-2-(ethylsulfanyl)-5-oxo-1-phenyl-1,5-dihydro[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbonitrile
1-[3-[(2-Amino-2-carboxyethyl)disulfanyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
2-[(2S)-4-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-3-hydroxy-5-oxo-2H-furan-2-yl]acetic acid
5-[(E)-caffeoyl]shikimic acid
A carboxylic ester obtained by formal condensation of the carboxy group of (E)-caffeic acid with the 5-hydroxy group of shikimic acid.
