Exact Mass: 260.1264
Exact Mass Matches: 260.1264
Found 500 metabolites which its exact mass value is equals to given mass value 260.1264,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Maculosin
A homodetic cyclic peptide that is a dipeptide composed of L-proline and L-tyrosine joined by peptide linkages. Maculosin is a host-specific phytotoxin for spotted knapweed from Alternaria alternata. Maculosin is a quorum-sensing molecule involved in cell-cell communication by Pseudomonas aeruginosa. Maculosin also acts as a signaling molecule regulating virulence gene expression in Lactobacillus reuteri. Maculosin shows antioxidant, anti-cancer and non-toxicity properties. Maculosin shows cytotoxic activity against the human liver cancer cell lines, with an IC50 of 48.90 μg/mL[1][2][3]. Maculosin is a host-specific phytotoxin for spotted knapweed from Alternaria alternata. Maculosin is a quorum-sensing molecule involved in cell-cell communication by Pseudomonas aeruginosa. Maculosin also acts as a signaling molecule regulating virulence gene expression in Lactobacillus reuteri. Maculosin shows antioxidant, anti-cancer and non-toxicity properties. Maculosin shows cytotoxic activity against the human liver cancer cell lines, with an IC50 of 48.90 μg/mL[1][2][3].
10-Hydroxy-3-methoxy-1,3,5,7-cadinatetraen-9-one
10-Hydroxy-3-methoxy-1,3,5,7-cadinatetraen-9-one is found in fats and oils. 10-Hydroxy-3-methoxy-1,3,5,7-cadinatetraen-9-one is from Gossypium hirsutum (cotton). From Gossypium hirsutum (cotton). 10-Hydroxy-3-methoxy-1,3,5,7-cadinatetraen-9-one is found in fats and oils.
Methaphenilene
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
N,N'-Diphenyl-p-phenylenediamine
D020011 - Protective Agents > D000975 - Antioxidants
1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium
Gamma-glutamyl-leucine
gamma-Glutamylleucine is a dipeptide composed of gamma-glutamate and leucine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamylleucine 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. gamma-Glutamylleucine is a biomarker for the consumption of whey protein. It is found in urine (PMID: 3782411). Gamma-glutamylleucine, also known as gamma-glutamyl-leucine, (d,l)-isomer or L-gamma-glu-L-leu, is a member of the class of compounds known as dipeptides. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Gamma-glutamylleucine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Gamma-glutamylleucine can be found in soft-necked garlic, which makes gamma-glutamylleucine a potential biomarker for the consumption of this food product. Gamma-glutamylleucine can be found primarily in blood and feces. H-γ-Glu-Leu-OH is a dipeptide consisting of γ-glutamic acid and leucine, terminated by a hydroxyl group[1].
Isoleucyl-Glutamate
Isoleucyl-Glutamate is a dipeptide composed of isoleucine and glutamate. 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.
Glutamylleucine
Glutamylleucine is a dipeptide composed of glutamate and leucine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylleucine 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.
gamma-Glutamylisoleucine
gamma-Glutamylisoleucine is a dipeptide composed of gamma-glutamate and isoleucine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamylisoleucine 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. It is found in urine (PMID: 3782411).
Glutamylisoleucine
Glutamylisoleucine is a dipeptide composed of glutamate and isoleucine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylisoleucine 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.
Glutaminylasparagine
Glutaminylasparagine is a dipeptide composed of glutamine and asparagine. 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.
Asparaginylglutamine
Asparaginylglutamine is a dipeptide composed of asparagine and glutamine. 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.
Asparaginyl-Gamma-glutamate
Asparaginyl-Gamma-glutamate is a dipeptide composed of asparagine and gamma-glutamate. 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.
Leucyl-Glutamate
Leucyl-Glutamate is a dipeptide composed of leucine and glutamate. 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.
Glycerol tripropanoate
Glycerol tripropanoate is a flavouring ingredient. Flavouring ingredient
Diaveridine
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
2alpha-Methoxy-3,10(14),11(13)-guaiatrien-12,6alpha-olide
1,4-Dihydroxy-2-(3,7-dimethyl-1-oxo-octa-2-E-6-dienyl)benzene
(E,E)-5-(2,6-Dimethyl-1,5,7-octatrienyl)-3-furancarboxylic acid methyl ester
9-Oxo-bis-abola-1,3,5,7E-tetraen-15-oic acid methyl ester
(E,Z)-5-(2,6-Dimethyl-1,5,7-octatrienyl)-3-furancarboxylic acid methyl ester
DIAVERIDINE
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 3645 CONFIDENCE standard compound; INTERNAL_ID 1085
N-Nitrosofenfluramine
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3472 CONFIDENCE standard compound; INTERNAL_ID 2116
Nadoxolol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
1-(1-hydroxybutyl)-1,3,4,5,6,7-hexahydro-2-benzofuran-4,5,6,7-tetrol
(E,E)-1-(3,4-dihydroxyphenyl)deca-1,3-dien-5-one|(E,E)-1-(3,4-Dihydroxyphenyl)-1,3-decadien-5-one
(6E,12E)-3-hydroxytetradeca-6,12-dien-8,10-diyn-1-yl acetate|1-Ac-6,12-Tetradecadiene-8,10-diyne-1,3-diol
2,3-dihydro-5,7-dimethoxyspiro[cyclohexane-1,1-[1H]inden]-4-one|7-methoxycannabispirone
2,6-Dideoyx-3-C-methuyl-3-O-methyl-ribo-hexose,9CI-Di-Ac
alpha-L-Sorbofuranose, 2,3:4,6-bis-o-(1-methylethylidene)-
3-methoxy-10-methylenefurano-germacra-1-en-6-one|rel-3R-methoxy-4S-furanogermacra-1E,10(15)-dien-6-one
Me glycoside,2,3-O-isopropylidene,isopropyl ester-beta-D-Furanose-Riburonic acid
7-isopropyl-5-methoxy-2,2,4-trimethyl-1H-indene-1,3(2H)-dione
2-(acetyloxy)-5-ethyl-2,3-dimethylhexanedioic acid
methyl (1aS,7aS,7bS)-1a,2,3,5,7a,7b-hexahydro-1,4,7-trimethyl-5-oxo-1H-cycloprop[e]azulene-1-carboxylate
1-Ac-4,6-Tetradecadiene-8,10-diyne-1,12-diol|Tetradeca-4,6-dien-8,10-diin-1,12-diol-1-acetat
6,7,8,9-tetrahydro-3-methoxymethyl-5,9-dimethyl-8-hydroxy-nafto<1,2b>furan|6,7,8,9-tetrahydro-3-methoxymethyl-5,9-dimethyl-8-hydroxy-nafto[1,2b]furan|Citreobenzofuran C
(+)-(1R*, 3S*, 5S*, 6S*, 7R*, 7aS*)-5-acetamidomethyl-3-hydroxymethyl-1,6,7-trihydroxypyrrolizidine|pochonicine
3,6,9-Trimethyl-7-methoxy-7,8,9,9a-tetrahydroazuleno[4,5-b]furan-4(6aH)-one
1-((R)-6-hydroxy-2-methyl-2H-chromen-2-yl)-4-methylpentan-2-one
hexahydrospiro[1,3-benzodioxole-2,1-cyclohexane]-4,5,6,7-tetrol
2,2,2,2-tetramethylspiro[1,3-dioxolane-4,6-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7-ol
(2R,4R,6R)-4-hydroxy-2-methoxy-6-(1-phenyl-2-propenyl)-cyclohexanone
3,4-Dihydro-2,2-dimethyl-7-(3-methyl-2-butenyl)-2H-1-benzopyran-5,8-dione
2-Oxo-3-(1-methoxycarbonyl-ethyl)-5.8a beta-dimethyl-6.8-cyclo-1.2.6alpha.7.8alpha.8a-hexahydro-naphthalin|2-Oxo-3-<1-methoxycarbonyl-ethyl>-5.8a beta-dimethyl-6.8-cyclo-1.2.6alpha.7.8alpha.8a-hexahydro-naphthalin
rel-3R-Methoxy-4S-furanogermacra-1E,10(15)-dien-6-one
gamma-Glutamylleucine
H-γ-Glu-Leu-OH is a dipeptide consisting of γ-glutamic acid and leucine, terminated by a hydroxyl group[1].
2-(5-Hydroxymethyl-8-methyl-3-oxa-bicyclo[3.3.1]non-7-en-2-yl)-phenol
H-Glu(Leu-OH)-OH
H-γ-Glu-Leu-OH is a dipeptide consisting of γ-glutamic acid and leucine, terminated by a hydroxyl group[1].
C14H16N2O3_Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-[(4-hydroxyphenyl)methyl]
C16H20O3_2-Naphthaleneacetic acid, 1,2,3,7,8,8a-hexahydro-8,8a-dimethyl-alpha-methylene-7-oxo-, methyl ester, (2R,8R,8aR)
gamma-Glu-leu
A glutamyl-L-amino acid obtained by formal condensation of the gamma-carboxy group of glutamic acid with the amino group of leucine. H-γ-Glu-Leu-OH is a dipeptide consisting of γ-glutamic acid and leucine, terminated by a hydroxyl group[1].
Tripropionin
A triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by propionic acid.
(S)-6-AMINO-3-((TERT-BUTOXYCARBONYL)AMINO)-6-OXOHEXANOIC ACID
ETHYL 4-(5-ISOPROPYL-1,2,4-OXADIAZOL-3-YL)BENZOATE
a-Methyl-4-[(2-oxocyclohexyl)methyl]- benzeneacetic acid
tert-Butyl 3-formyl-5-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
CIS-2-(3,4-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID
4-ALLYL-5-[4-(DIMETHYLAMINO)PHENYL]-4H-1,2,4-TRIAZOLE-3-THIOL
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazol-2-amine
2-METHOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2yl)benzo[d]oxazol-2-amine
5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-BENZO[D]IMIDAZOL-2(3H)-ONE
ethyl 3-(4-methoxyphenyl)-1-methyl-1h-pyrazole-5-carboxylate
3H-1,2,4-Triazole-3-thione,4-cyclohexyl-2,4-dihydro-5-(4-pyridinyl)-
(1R,2S)-2-(4-ethylbenzoyl)cyclohexane-1-carboxylic acid
CIS-2-(3,5-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID
ethyl 1-(4-methoxyphenyl)-5-methyl-1h-pyrazole-4-carboxylate
2-acetamido-3-(5-methyl-1H-indol-3-yl)propanoic acid
D-chiro-Inositol,1,2:5,6-bis-O-(1-methylethylidene)-
evronalsodium
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
5-Pyrimidinecarboxylicacid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-phenyl-, ethyl ester
ethyl (E)-2-cyano-3-(3-ethoxyanilino)prop-2-enoate
2-(3-FORMYL-INDOL-1-YL)-N-(2-METHOXY-ETHYL)-ACETAMIDE
Ethyl 2-amino-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate
BENZYL 3-OXO-2,6-DIAZABICYCLO[3.2.1]OCTANE-6-CARBOXYLATE
1H-Pyrrolo[2,3-b]pyridine-5-carboxaldehyde, 1-[(1,1-dimethylethyl)dimethylsilyl]-
4-(3-Trimethylsilanylethynyl-pyridin-2-yl)-morpholine
(2R,3R,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
benzyl 3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidin-2-one
3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)aniline
ETHYL 4-((TERT-BUTYLDIMETHYLSILYL)OXY)-3-OXOBUTANOATE
Phetharbital
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
Ethyl 5-(tert-butylthio)-2,2-dimethyl-4-oxopentanoate
1-(4-METHOXY-PHENYL)-5-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
4-PHENYL-5-PIPERIDIN-1-YL-4H-1,2,4-TRIAZOLE-3-THIOL
5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one
tert-butyl 4-hydroxy-4-(nitromethyl)piperidine-1-carboxylate
ethyl 3-(cyclopropylcarbonyl)-a,a-dimethylphenylacetate
trimethoxy-[3-(7-oxabicyclo[4.1.0]heptan-4-yl)propyl]silane
Ethyl 1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate
1,2:5,6-Bis-O-(1-methylethylidene)-beta-L-mannofuranose
4-Amino-hexahydro-cyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester hydrochloride
1,2:4,6-Bis-O-(1-methylethylidene)-alpha-D-fructofuranose
2,3:5,6-Bis-O-(1-methylethylidene)-alpha-L-mannofuranose
1,2:4,6-Bis-O-(1-methylethylidene)-beta-D-fructofuranose
1,2-Cyclobutanedicarboxylic acid, 3,3-diethoxy-, 1,2-diMethyl ester
(2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4,5-d]pyran-5-yl)methanol
5-[(3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)aniline
(5-tert-butyl-isoxazol-3-yl)-carbamic acid phenyl ester, (5-tert-butylisoxazol-3-yl)carbamic acid phenyl ester
ethyl 2-(4-methoxyphenyl)-5-methylpyrazole-3-carboxylate
2,5-dimethyl-3,4-diphenyl-cyclopenta-2,4-dien-1-one
5,5-DIMETHYL-3-((3-NITROPHENYL)AMINO)CYCLOHEX-2-EN-1-ONE
4-(4-Fluorobenzyl)-3-methyl-5-((R)-pyrrolidin-2-yl)-4H-1,2,4-triazole
3-[(4-Hydroxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
4-cyclohexyl-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
p-Mentha-4,8-diene-2-acetic acid, 5,9-epoxy-alpha-methylene-1-vinyl-, methyl ester
2-Pentenoic acid, 2-[(trimethylsilyl)oxy]-, trimethylsilyl ester
4H-Pyrido[1,2-a]pyrimidine-3-propanoic acid, 6-methyl-4-oxo-, ethyl ester
4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 6,8-dimethyl-4-oxo-, ethyl ester
4-[(1S,2S,5S)-5-(Hydroxymethyl)-8-methyl-3-oxabicyclo[3.3.1]non-7-EN-2-YL]phenol
2-[(2-Amino-4-carboxybutanoyl)amino]-3-methylpentanoic acid
[(2S)-3-carboxy-2-[(E)-3-carboxyprop-2-enoyl]oxypropyl]-trimethylazanium
[5-(2-Furanyl)-3-isoxazolyl]-(4-methyl-1-piperidinyl)methanone
N-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)pentanamide
Biscognienyne B
A member of the class of epoxides that is (1R,6S)-7-oxabicyclo[4.1.0]hept-3-ene substituted by 3-methylbut-2-en-1-yl, hydroxy, 2-methylbut-1-en-3-yn-4-yl, and hydroxy groups at positions 1, 2R, 3 and 5R. It is a meroterpenoid natural product synthesized by the Ascomycota fungus Biscogniauxia sp.
3-[5-(4-Ethylphenyl)-2-tetrazolyl]propanoic acid methyl ester
5-(4-methoxyphenyl)-N-propan-2-yl-3-isoxazolecarboxamide
N-(3-cyclohexen-1-ylmethylene)-2,4-dihydroxybenzohydrazide
N-butan-2-yl-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-2H-isoxazole-3-carboxamide
N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxyphenyl)ethan-1-aminium
N(5)-hydroxy-N(5)-[(2E)-5-hydroxy-3-methylpent-2-enoyl]-L-ornithine
(3Z,6Z)-dodeca-3,6-dien-1-ylsulfamate
An organic sulfamate oxoanion that is the conjugate base of (3Z,6Z)-dodeca-3,6-dien-1-ylsulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.
3-[(2-Carboxylatopropanoyl)oxy]-4-(trimethylazaniumyl)butanoate
(3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl hydrogen sulfate
A sulfuric ester of (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-ol.
2-(1-Hydroxy-4-methylpent-3-enyl)-2-methylchromen-8-ol
[3-carboxy-2-[(E)-3-carboxyprop-2-enoyl]oxypropyl]-trimethylazanium
[(2R)-3-carboxy-2-[(E)-3-carboxyprop-2-enoyl]oxypropyl]-trimethylazanium
2-[(5R)-5-(hydroxymethyl)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
7-Methoxy-2,3-dimethyl-6-(2-nitro-1-propenyl)indole
1,4-Dianilinobenzene
D020011 - Protective Agents > D000975 - Antioxidants
drilodefensin 1
An arenesulfonic acid that is furan-3-sulfonic acid carrying hexyl and ethyl substituents at positions 2 and 5 respectively.
norbelladine(1+)
An organic cation obtained by protonation of the secondary amino group of norbelladine; major species at pH 7.3.
O-methylmalonylcarnitine(1-)
A dicarboxylic acid monoanion that is the conjugate base of O-methylmalonylcarnitine; major species at pH 7.3.
gamma-Glu-ile
A glutamyl-L-amino acid having L-isoleucine as the L-amino acid component.
3,10-dimethyl-4h,7h,8h,11h-cyclodeca[b]furan-6-yl acetate
2-hydroxy-8-(methoxymethyl)-5-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2h-naphthalen-1-one
n-{2-[5-(acetyloxy)-1h-indol-3-yl]ethyl}ethanimidic acid
methyl 4a,7-dimethyl-4-methylidene-5h,6h,7h,8h-indeno[5,6-b]furan-7a-carboxylate
7-isopropyl-3-methoxy-1,4a-dimethyl-5h-naphthalene-2,6-dione
(4e,6e,12s)-12-hydroxytetradeca-4,6-dien-8,10-diyn-1-yl acetate
(2s,3r,4s,5s,6r)-6-ethyl-3,4,5-trihydroxyoxan-2-yl (2e)-2-methylbut-2-enoate
3-(methoxymethyl)-4,5-dimethyl-5h,6h,7h,8h-naphtho[2,3-b]furan-6-ol
(3s,8ar)-1-hydroxy-3-[(4-hydroxyphenyl)methyl]-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one
6-ethenyl-7-(3-hydroxyprop-1-en-2-yl)-6-methyl-7,8-dihydro-5h-naphthalene-1,4-diol
methyl 2-[(2r,4ar,8ar)-4a-methyl-8-methylidene-7-oxo-2,3,4,8a-tetrahydro-1h-naphthalen-2-yl]prop-2-enoate
12-hydroxytetradeca-4,6-dien-8,10-diyn-1-yl acetate
11-isopropyl-6-methyl-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),3(7),5-triene-2,8-dione
2,4-dihydroxy-3-methyl-6-{[(6s)-6-methyl-5,6-dihydropyran-2-ylidene]methyl}benzaldehyde
(1s,3s,6s,7r)-6-(furan-3-yl)-7,11-dimethyl-2,5-dioxatricyclo[5.4.0.0¹,³]undec-10-en-4-one
(2e,4e)-8-(2,5-dihydroxyphenyl)-2-methyl-8-oxoocta-2,4-dienal
(1s,2s)-2-hydroxy-1-methoxy-1-methyl-7-(2-methylprop-1-en-1-yl)-2,3-dihydroindene-4-carbaldehyde
7-hydroxy-3-methoxy-8-(3-methylbut-2-en-1-yl)chromen-2-one
11,13-epoxy-3-oxo-4(15)10(14)-guaiadien-12,6-olide
{"Ingredient_id": "HBIN000282","Ingredient_name": "11,13-epoxy-3-oxo-4(15)10(14)-guaiadien-12,6-olide","Alias": "NA","Ingredient_formula": "C15H16O4","Ingredient_Smile": "NA","Ingredient_weight": "260.289","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9398","PubChem_id": "NA","DrugBank_id": "NA"}
11,13-epoxydehydroisozaluzanin c
{"Ingredient_id": "HBIN000284","Ingredient_name": "11,13-epoxydehydroisozaluzanin c","Alias": "NA","Ingredient_formula": "C15H16O4","Ingredient_Smile": "NA","Ingredient_weight": "260.289","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9396","PubChem_id": "NA","DrugBank_id": "NA"}
1,4-dihydroxy-2-(3',7'-dimethyl-1'-oxo-2'-e,6'-octadienyl)benzene
{"Ingredient_id": "HBIN001428","Ingredient_name": "1,4-dihydroxy-2-(3',7'-dimethyl-1'-oxo-2'-e,6'-octadienyl)benzene","Alias": "NA","Ingredient_formula": "C16H20O3","Ingredient_Smile": "CC(=CCCC(=CC(=O)C1=C(C=CC(=C1)O)O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5858","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,4-dihydroxy-2-(3',7'-dimethyl-1'-oxo-2'-z,6'-octadienyl)benzene
{"Ingredient_id": "HBIN001429","Ingredient_name": "1,4-dihydroxy-2-(3',7'-dimethyl-1'-oxo-2'-z,6'-octadienyl)benzene","Alias": "NA","Ingredient_formula": "C16H20O3","Ingredient_Smile": "CC(=CCCC(=CC(=O)C1=C(C=CC(=C1)O)O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5859","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1β,10β-epoxydehydroleucodin
{"Ingredient_id": "HBIN002336","Ingredient_name": "1\u03b2,10\u03b2-epoxydehydroleucodin","Alias": "NA","Ingredient_formula": "C15H16O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7065","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-methoxy-10-methylenefuranogermacra-1- en-6-one
{"Ingredient_id": "HBIN008784","Ingredient_name": "3-methoxy-10-methylenefuranogermacra-1- en-6-one","Alias": "(1E)-3-methoxy-8,12-epoxygermacra-1,7,10,11-tetraen-6-one","Ingredient_formula": "C16H20O3","Ingredient_Smile": "CC1CC(=O)C2=C(CC(=C)C=CC1OC)OC=C2C","Ingredient_weight": "260.33 g/mol","OB_score": "47.12593718","CAS_id": "NA","SymMap_id": "SMIT03626","TCMID_id": "NA","TCMSP_id": "MOL001158","TCM_ID_id": "NA","PubChem_id": "131676054","DrugBank_id": "NA"}
5-benzofuranacetic acid,6-ethenyl-4,5,6,7-tetrahydro-3,6-dimethyl-α-methylene-,methyl ester
{"Ingredient_id": "HBIN011449","Ingredient_name": "5-benzofuranacetic acid,6-ethenyl-4,5,6,7-tetrahydro-3,6-dimethyl-\u03b1-methylene-,methyl ester","Alias": "NA","Ingredient_formula": "C16H20O3","Ingredient_Smile": "CC1=COC2=C1CC(C(C2)(C)C=C)C(=C)C(=O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40839","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-isopentenyloxy-7-methoxycoumarin
{"Ingredient_id": "HBIN011722","Ingredient_name": "5-isopentenyloxy-7-methoxycoumarin","Alias": "NA","Ingredient_formula": "C15H16O4","Ingredient_Smile": "CC(=CCOC1=C2C=CC(=O)OC2=CC(=C1)OC)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38127","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-(1-ethoxyethyl)plumbagin
{"Ingredient_id": "HBIN012007","Ingredient_name": "6-(1-ethoxyethyl)plumbagin","Alias": "NA","Ingredient_formula": "C15H16O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7403","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxy-6-methoxy-2h-1-benzopyran-2-one,9ci; o-(1,1-dimethyl-2-propenyl)
{"Ingredient_id": "HBIN013252","Ingredient_name": "7-hydroxy-6-methoxy-2h-1-benzopyran-2-one,9ci; o-(1,1-dimethyl-2-propenyl)","Alias": "NA","Ingredient_formula": "C15H16O4","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "113191-01-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7448","PubChem_id": "NA","DrugBank_id": "NA"}
7-methoxy-8-(2'-formly-2'-methylpropyl)coumarin
{"Ingredient_id": "HBIN013326","Ingredient_name": "7-methoxy-8-(2'-formly-2'-methylpropyl)coumarin","Alias": "NA","Ingredient_formula": "C15H16O4","Ingredient_Smile": "CC(C)(CC1=C(C=CC2=C1OC(=O)C=C2)OC)C=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31540","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-methoxy-8-(2'-methyl-2'-formylpropyl)coumarin
{"Ingredient_id": "HBIN013331","Ingredient_name": "7-methoxy-8-(2'-methyl-2'-formylpropyl)coumarin","Alias": "NA","Ingredient_formula": "C15H16O4","Ingredient_Smile": "CC(C)(CC1=C(C=CC2=C1OC(=O)C=C2)OC)C=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31569","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-prenyloxy-6-methoxycoumarin
{"Ingredient_id": "HBIN013449","Ingredient_name": "7-prenyloxy-6-methoxycoumarin","Alias": "NA","Ingredient_formula": "C15H16O4","Ingredient_Smile": "CC(=CCOC1=C(C=C2C=CC(=O)OC2=C1)OC)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "17826","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-acetoxy-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]nonane
{"Ingredient_id": "HBIN013601","Ingredient_name": "8-acetoxy-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]nonane","Alias": "NA","Ingredient_formula": "C15H16O4","Ingredient_Smile": "NA","Ingredient_weight": "260.289","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7385","PubChem_id": "NA","DrugBank_id": "NA"}
8βh-eremophil-3,7(11)-diene-12,8α(14,6α)-diolide
{"Ingredient_id": "HBIN013663","Ingredient_name": "8\u03b2h-eremophil-3,7(11)-diene-12,8\u03b1(14,6\u03b1)-diolide","Alias": "NA","Ingredient_formula": "C15H16O4","Ingredient_Smile": "CC1=C2C(CC3CCC=C4C3(C2OC4=O)C)OC1=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7227","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
azedaralide
{"Ingredient_id": "HBIN017448","Ingredient_name": "azedaralide","Alias": "NA","Ingredient_formula": "C15H16O4","Ingredient_Smile": "CC12CCC=C(C1=CC(=O)OC2C3=COC=C3)CO","Ingredient_weight": "260.29","OB_score": "NA","CAS_id": "220210-98-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6450","PubChem_id": "10682758","DrugBank_id": "NA"}
