Exact Mass: 276.0908382
Exact Mass Matches: 276.0908382
Found 500 metabolites which its exact mass value is equals to given mass value 276.0908382,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Dihydromethysticin
Dihydromethysticin is found in beverages. Dihydromethysticin is isolated from Piper methysticum (kava). FDA advises against use of kava in food due to potential risk of severe liver damage (2002) Dihydromethysticin is one of the six major kavalactones found in the kava plant Dihydromethysticin is a member of 2-pyranones and an aromatic ether. Dihydromethysticin is a natural product found in Piper methysticum, Piper majusculum, and Aniba hostmanniana with data available. Dihydromethysticin is one of the six major kavalactones found in the kava plant; has marked activity on the induction of CYP3A23. Dihydromethysticin is one of the six major kavalactones found in the kava plant; has marked activity on the induction of CYP3A23.
Hamaudol
Hamaudol is a member of chromenes. Hamaudol is a natural product found in Saposhnikovia divaricata, Angelica japonica, and other organisms with data available. Hamaudol is a chromone isolated from Saposhnikovia divaricata. Hamaudol shows significant inhibitory activity on cyclooxygenase (COX)-1 and COX-2 activities with IC50 values of 0.30, 0.57 mM, respectively, and has potent analgesia and anti-inflammary effects[1][2]. Hamaudol is a chromone isolated from Saposhnikovia divaricata. Hamaudol shows significant inhibitory activity on cyclooxygenase (COX)-1 and COX-2 activities with IC50 values of 0.30, 0.57 mM, respectively, and has potent analgesia and anti-inflammary effects[1][2].
Glutamylglutamic acid
Glutamylglutamic acid is a dipeptide composed of two glutamic acid residues, 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. Glutamylglutamic acid 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. KEIO_ID G043; [MS2] KO008970 KEIO_ID G043
Lactucin
Lactucin is found in chicory. Lactucin is a constituent of Cichorium intybus (chicory) Lactucin is a bitter substance that forms a white crystalline solid and belongs to the group of sesquiterpene lactones. It is found in some varieties of lettuce and is an ingredient of lactucarium. It has been shown to have analgesic and sedative properties Constituent of Cichorium intybus (chicory)
Ranunculin
Gamma-glutamylglutamate
gammaGlutamylglutamic acid is made of two glutamic acid molecules. Glutamic acid (Glu), also referred to as glutamate (the anion), is one of the 20 proteinogenic amino acids. It is not among the essential amino acids. Glutamate is a key molecule in cellular metabolism. In humans, dietary proteins are broken down by digestion into amino acids, which serves as metabolic fuel or other functional roles in the body. Glutamate is the most abundant fast excitatory neurotransmitter in the mammalian nervous system. At chemical synapses, glutamate is stored in vesicles. Nerve impulses trigger release of glutamate from the pre-synaptic cell. In the opposing post-synaptic cell, glutamate receptors, such as the NMDA receptor, bind glutamate and are activated. Because of its role in synaptic plasticity, it is believed that glutamic acid is involved in cognitive functions like learning and memory in the brain. Glutamate transporters are found in neuronal and glial membranes. They rapidly remove glutamate from the extracellular space. In brain injury or disease, they can work in reverse and excess glutamate can accumulate outside cells. This process causes calcium ions to enter cells via NMDA receptor channels, leading to neuronal damage and eventual cell death, and is called excitotoxicity. The mechanisms of cell death include: * Damage to mitochondria from excessively high intracellular Ca2+. * Glu/Ca2+-mediated promotion of transcription factors for pro-apoptotic genes, or downregulation of transcription factors for anti-apoptotic genes. Excitotoxicity due to glutamate occurs as part of the ischemic cascade and is associated with stroke and diseases like amyotrophic lateral sclerosis, lathyrism, and Alzheimers disease. glutamic acid has been implicated in epileptic seizures. Microinjection of glutamic acid into neurons produces spontaneous depolarization around one second apart, and this firing pattern is similar to what is known as paroxysmal depolarizing shift in epileptic attacks. This change in the resting membrane potential at seizure foci could cause spontaneous opening of voltage activated calcium channels, leading to glutamic acid release and further depolarization. (http://en.wikipedia.org/wiki/Glutamic_acid) [HMDB] gamma-Glutamylglutamic acid is a dipeptide composed of gamma-glutamate and glutamic acid. Glutamic acid (Glu), also referred to as glutamate (the anion), is one of the 20 proteinogenic amino acids. It is not among the essential amino acids. Glutamate is a key molecule in cellular metabolism. In humans, dietary proteins are broken down by digestion into amino acids, which serve as metabolic fuel and other functional roles in the body. Glutamate is the most abundant fast excitatory neurotransmitter in the mammalian nervous system. At chemical synapses, glutamate is stored in vesicles. Nerve impulses trigger release of glutamate from the pre-synaptic cell. In the opposing post-synaptic cell, glutamate receptors, such as the NMDA receptor, bind glutamate and are activated. Because of its role in synaptic plasticity, it is believed that glutamic acid is involved in cognitive functions like learning and memory in the brain. Glutamate transporters are found in neuronal and glial membranes. They rapidly remove glutamate from the extracellular space. In brain injury or disease, they can work in reverse and excess glutamate can accumulate outside cells. This process causes calcium ions to enter cells via NMDA receptor channels, leading to neuronal damage and eventual cell death, and is called excitotoxicity. The mechanisms of cell death include: (1) damage to mitochondria from excessively high intracellular Ca2+ (2) Glu/Ca2+-mediated promotion of transcription factors for pro-apoptotic genes, or downregulation of transcription factors for anti-apoptotic genes. Excitotoxicity due to glutamate occurs as part of the ischemic cascade and is associated with stroke and diseases like amyotrophic lateral sclerosis, lathyrism, and Alzheimers disease. Glutamic acid has been implicated in epileptic seizures. Microinjection of glutamic acid into neurons produce spontaneous depolarization around one second apart, and this firing pattern is similar to what is known as paroxysmal depolarizing shift in epileptic attacks. This change in the resting membrane potential at seizure foci could cause spontaneous opening of voltage activated calcium channels, leading to glutamic acid release and further depolarization (Wikipedia).
Benzo[ghi]perylene
Indeno[1,2,3-cd]pyrene
Pentalenolactone
A sesquiterpene lactone that is isolated from several Streptomyces species and exhibits antibiotic activity.
Clenbuterol
Clenbuterol is only found in individuals that have used or taken this drug. It is a substituted phenylaminoethanol that has beta-2 adrenomimetic properties at very low doses. It is used as a bronchodilator in asthma. [PubChem]Clenbuterol is a Beta(2) agonist similar in some structural respects to salbutamol. Agonism of the beta(2) receptor stimulates adenylyl cyclase activity which ultimately leads to downstream effects of smooth muscle relaxation in the bronchioles. Potential food contaminant arising from its illicit use to improve carcass quality and productivity in cattle. Approved tocolytic agent for cows in several European countries R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
10-Acetoxytoxol
10-Acetoxytoxol is found in herbs and spices. 10-Acetoxytoxol is a constituent of Helichrysum italicum (curry plant)
Ascochitine
Causes brown rot in broad bean
6-[3-(2-hydroxypropan-2-yl)oxiran-2-yl]-7-methoxy-2H-chromen-2-one
3-(7-methoxy-2-oxo-2H-chromen-8-yl)-2,2-dimethylpropanoic acid
5-De-O-methyltoddanol
5-De-O-methyltoddanol is found in citrus. 5-De-O-methyltoddanol is a constituent of the stem bark of Citrus grandis (pummelo). Constituent of the stem bark of Citrus grandis (pummelo). 5-De-O-methyltoddanol is found in citrus.
Thymidine glycol
Thymidine glycol belongs to the family of Pyrimidine 2-deoxyribonucleosides and Analogues. These are compounds consisting of a pyrimidine linked to a ribose which lacks an hydroxyl group at position 2.
Meisoindigo
Meisoindigo (Dian III), a derivative of Indirubin (HY-N0117), halts the cell cycle at the G0/G1 phase and induces apoptosis in primary acute myeloid leukemia (AML) cells. Meisoindigo exhibits high antitumor activity[1][2].
7-(3,3-Dimethylallyloxy)-6-hydroxy-5-methoxycoumarin
6,7,9alpha-Trihydroxy-3,8,11alpha-trimethylcyclohexo[d,e]-coumarin
Ethyl 2-cyano-3-[2-(2-thienyl)tetrahydro-1H-pyrrol-1-yl]acrylate
2-Phenyl-2-[4-(trifluoromethyl)anilino]acetonitrile
URSINOIC ACID
Origin: Plant; SubCategory_DNP: Triterpenoids
6-(2,3-epoxy-1-hydroxy-3methylbut)-7-methoxycoumarin|6-[(3,3-dimethyl-oxiranyl)-hydroxy-methyl]-7-methoxy-chromen-2-one|Lophopterol
8-(1,2-epoxy-3-hydroxy-3-methylbutyl)-7-methoxycoumarin
8beta-hydroxyeremophil-3,7(11)-diene-8alpha,12(6alpha,15)-diolide
3beta-acetoxy-6-acetyl-2alpha-isopropenyl-5-hydroxy-2,3H-benzofuran
(R)-(+)-7-methoxy-8-(2,3-epoxy-3-methylbutoxy)-coumarin
6,8-dihydroxy-7-acetyl-1-keto-3-methoxy-4,4-dimethyl-1,4-dihydronaphthalene
2-(4-Hydroxyphenethyl)-4-hydroxy-6-oxo-1-cyclohexene-1-carboxylic acid
2-(1-Hydroxy-1-methylethyl)-4-methoxy-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one
4,7-Benzofurandione, 3-(hydroxymethyl)-6-methoxy-5-(3-methyl-2-butenyl)-
3-Chloro-2-oxo-1(10), 3, 7(11), 8-guiatetraen-12, 6-olide
1-(3,4-Dihydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-propan|1-(3,4-dihydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)propane
8-(2,3-epoxy-1-hydroxy-3-methylbutyl)-7-methoxycoumarin
7-Hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromone
(6??,8??OH)-6,8-Dihydroxy-3-oxo-1,7(11),9-eremophilatrien-12,8-olide
(R)-4-(1-hydroxy-3-methylbutyl)-6H-[1,3]dioxolo[4,5-g]chromen-6-one|antidesnol
4-Methoxy-5-methyl-6-(3-methyl-2-butenyloxy)isobenzofuran-1,3-dione
(9betaH)-1alpha,4alpha-dihydroxy-10-oxo-1,10-seco-1(10->9)abeoguaia-2,5,7(11)-trien-12,8beta-olide|millifolide C
(2S,3S,4R,5R)-2,5-epoxy-3,4-dimethyl-8,9-methylenedioxy-10-methoxy-6,11-benzocycloheptan-1-one|gymnothedelignan A
(2?R,4aR,8aS,9aS)-9a-hydroxy-3,8a-dimethyl-4,4a,9,9a-tetrahydro-2H-spiro[naphtho[2,3-b]furan-5,2?-oxirane]-2,6(8aH)-dione|linderolide J
smiglabrol|threo-5-[1-hydroxy-2-(4-hydroxyphenyl)-2-methoxyethyl] benzene-1,3-diol
(5S,6S)-(+)-5-hydroxy-4,6-dimethoxy-6-trans-styryl-5,6-dihydro-2H-pyran-2-on
5,7-dihydroxy-8-[(2E)-4-hydroxy-3-methylbut-2-enyl]-2-methyl-4H-1-benzopyran-4-one
8-(2-hydroxy-3-methylbut-3-enyloxy)-7-methoxycoumarin
5-methoxy-7-hydroxy-8-(2-hydroxy-3-methyl-3-butenyl)coumarin|7-hydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-5-methoxy-coumarin|7-hydroxy-8-(2-hydroxy-3-methyl-but-3-enyl)-5-methoxy-chromen-2-one
(()-Nieshoutol|6-hydroxy-5-methoxy-8,9,9-trimethyl-8,9-dihydro-furo[2,3-h]chromen-2-one|Nieshoutol
1H-Dibenzo(de,g)quinolin-1-one, 7-amino-2-methoxy-
Dendrocandin E
A diphenylethane that is 1,2-dihydrostilbene substituted by hydroxy groups at positions 3, 3, 4 and 4 and a methoxy group at position 5. It is isolated from the stems of Dendrobium candidum and exhibits antioxidant activity.
dian III
Meisoindigo (Dian III), a derivative of Indirubin (HY-N0117), halts the cell cycle at the G0/G1 phase and induces apoptosis in primary acute myeloid leukemia (AML) cells. Meisoindigo exhibits high antitumor activity[1][2].
Murrangatin
(-)-Minumicrolin is a natural product found in Murraya paniculata with data available.
Capensine
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.050 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.051
(2S)-2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-2,3-dihydropyran-6-one
8-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
(2S)-4-hydroxy-2-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one
3-(2-hydroxy-4-methoxy-6-methylphenoxy)-5-methylbenzene-1,2-diol
7-[(3,3-dimethyloxiran-2-yl)methoxy]-6-methoxychromen-2-one
8-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
3-(2-hydroxy-4-methoxy-6-methylphenoxy)-5-methylbenzene-1,2-diol
(2S)-4-hydroxy-2-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one
3-(5-methoxy-2,2-dimethylchromen-8-yl)-3-oxopropanoic acid
Lactucin
An azulenofuran that is 3-methylidene-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione carrying additional hydroxy, methyl and hydroxymethyl substituents at positions 4, 6 and 9 respectively (the 3aR,4S,9aS,9bR-diastereomer). Found in chicory.
7-[(3,3-dimethyloxiran-2-yl)methoxy]-6-methoxychromen-2-one [IIN-based: Match]
8-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one [IIN-based on: CCMSLIB00000848547]
8-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one [IIN-based: Match]
5-De-O-methyltoddanol
Thymidine glycol
ethyl 4-hydroxy-5,8-dimethoxynaphthalene-2-carboxylate
2-(2-ETHYL-PYRIDIN-4-YL)-4-METHYL-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
ethyl 5-amino-1-(3-nitrophenyl)pyrazole-4-carboxylate
ETHYL5-AMINO-1-(2-NITROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
Ethyl 2-[4-(dimethylamino)phenyl]-1,3-thiazole-4-carboxylate
ETHYL5-AMINO-1-(4-NITROPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE
1,1-[(E)-1,2-Difluoro-1,2-ethenediyl]bis(4-methoxybenzene)
methyl (E)-3-(furan-2-yl)-2-[(2-hydroxy-6-oxocyclohexen-1-yl)methyl]prop-2-enoate
2-SULFO-1,4-BENZENEDICARBOXYLIC ACID 1,4-DIMETHYL ESTER, SODIUM SALT
Propanedinitrile, 2-[Methoxy(4-phenoxyphenyl)Methylene]-
Benzenesulfonic acid,4-methyl-, 2-phenylethyl ester
N-[3-[(Dimethylamino)methylene]-3,4-dihydro-4-oxo-2H-1-benzothiopyran-6-yl]acetamide
ethyl 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
((3aR,4S,5R,6aS)-5-hydroxy-2-oxohexahydro-2H-cyclopenta[b]furan-4-yl)methyl benzoate
2,4-Difluorophenyl-(4-piperidinyl) methanone oxime hydrochloride
ETHYL5-AMINO-1-(4-NITROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione
(5-hydroxy-1H-indol-2-yl)-(1H-indol-2-yl)methanone
3-(8-Methyl-2-imidazo[1,2-a]pyridinyl)-1-benzopyran-2-one
2-[(3-Ethyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid methyl ester
3-Phenyl-1,4-dihydropyrrolo[1,2-a]quinazoline-2,5-dione
3-(2-Hydroxy-4-methoxy-6-methylphenoxy)-5-methylcatechol
N-(5-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
2H-1-Benzopyran-2-one, 7-[(3,3-dimethyloxiranyl)methoxy]-6-methoxy-
Dimethyl 7-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulene-6,8-dicarboxylate
Thiamylal sodium
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
2,3-Dihydroxy-6-methyl-5,8-dioxo-4-propan-2-yl-6,7-dihydronaphthalene-1-carbaldehyde
2,3-Bis(acetylamino)-2,3-dideoxy-alpha-D-mannopyranuronic acid
(1S,4aR,9aS)-7,8-dimethyl-3-oxospiro[4,4a,6a,7-tetrahydropentaleno[6a,1-c]pyran-1,2-oxirane]-5-carboxylic acid
N-Cyclohexyl-5-(thiophen-2-yl)isoxazole-3-carboxamide
6-methyl-5-[2-(2-methylphenoxy)ethyl]-2-sulfanylidene-1H-pyrimidin-4-one
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methoxyacetamide
2-[2-Hydroxy-3-(3-hydroxyphenyl)propyl]benzene-1,3,5-triol
3,4,5-Trihydroxy-6-(3-methylbut-2-enoyloxy)oxane-2-carboxylic acid
8-[(3,3-Dimethyloxiran-2-yl)methyl]-6-hydroxy-7-methoxychromen-2-one
3,4,5-trihydroxy-6-[(E)-2-methylbut-2-enoyl]oxyoxane-2-carboxylic acid
8-[[3-(Hydroxymethyl)-3-methyloxiran-2-yl]methyl]-7-methoxychromen-2-one
6-[(E)-3,4-dihydroxy-3-methylbut-1-enyl]-7-methoxychromen-2-one
Dihydromethysticin
Dihydromethysticin is a member of 2-pyranones and an aromatic ether. Dihydromethysticin is a natural product found in Piper methysticum, Piper majusculum, and Aniba hostmanniana with data available. Dihydromethysticin is one of the six major kavalactones found in the kava plant; has marked activity on the induction of CYP3A23. Dihydromethysticin is one of the six major kavalactones found in the kava plant; has marked activity on the induction of CYP3A23.
2-[4-(3,4-Dihydroxyphenyl)-3-fluorophenyl]propanoic acid
3-(5-methoxy-2,2-dimethyl-2H-chromen-8-yl)-3-oxopropanoic acid
gamma-Glu-Glu
A dipeptide obtained by formal condensation of the gamma-carboxy group of glutamic acid with the amino group of another glutamic acid.
6,8-dihydroxy-1-methyl-5-(3-methylbut-2-en-1-yl)-1h-isochromene-3,7-dione
(2r,3s)-7-hydroxy-3'-methoxy-3,5-dimethyl-3,4-dihydrospiro[1-benzopyran-2,2'-furan]-5'-one
5-hydroxy-2-methyl-2-(3-methyl-5-oxooxolan-2-yl)-3h-1-benzopyran-4-one
7,8-dihydroxy-6-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one
(1r,4r)-4-[(5s)-8-methyl-4,7-dioxo-1,6-dioxaspiro[4.4]nona-2,8-dien-3-yl]cyclohexane-1-carbaldehyde
8-[(1e)-3,4-dihydroxy-3-methylbut-1-en-1-yl]-7-methoxychromen-2-one
(1r,2r,6s,8s,10r)-8-methyl-3-methylidene-5,9,15-trioxatetracyclo[11.2.1.0²,⁶.0⁸,¹⁰]hexadec-13(16)-ene-4,14-dione
8-hydroxy-6-methoxy-7-[(3-methylbut-2-en-1-yl)oxy]chromen-2-one
(9r,10s)-9-hydroxy-10-methoxy-8,8-dimethyl-9h,10h-pyrano[2,3-h]chromen-2-one
(9r)-9-hydroxy-6-methoxy-8,8-dimethyl-9h,10h-pyrano[2,3-h]chromen-2-one
9-hydroxy-6-methoxy-8,8-dimethyl-9h,10h-pyrano[2,3-h]chromen-2-one
(2s)-1-(7-hydroxy-5-methyl-4-oxochromen-2-yl)propan-2-yl acetate
(4r)-5-hydroxy-4,8,8-trimethyl-4h,9h,10h-pyrano[3,2-f]isochromene-2,6-dione
2-(7-hydroxy-2,2-dimethylchromen-6-yl)-2-oxoethyl acetate
(1r,2r,6s,7z,9s)-9-hydroxy-8-methyl-3-methylidene-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-7,12(15)-diene-4,13-dione
2-(2-hydroxy-3-methoxy-5-methylphenoxy)-5-methylbenzene-1,3-diol
(1r,2r,6s,8s,10s)-8-methyl-3-methylidene-5,9,15-trioxatetracyclo[11.2.1.0²,⁶.0⁸,¹⁰]hexadec-13(16)-ene-4,14-dione
7-hydroxy-5-(4-hydroxy-2-oxopentyl)-2-methylchromen-4-one
(2s,3r)-5-acetyl-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-3-yl acetate
7-[(3,3-dimethyloxiran-2-yl)methoxy]-8-methoxychromen-2-one
(1r,2r,6s,8r,10r)-8-methyl-3-methylidene-5,9,15-trioxatetracyclo[11.2.1.0²,⁶.0⁸,¹⁰]hexadec-13(16)-ene-4,14-dione
(1s,4s,5r)-4-[(3e)-4-methyl-5-(4-methylfuran-2-yl)-5-oxopent-3-en-1-yl]-2,6-dioxabicyclo[3.1.0]hexan-3-one
methyl 4a,7-dimethyl-4,6-dioxo-5h,7h,8h-indeno[5,6-b]furan-7a-carboxylate
(6s,7r)-6,10-dihydroxy-7-methoxy-3-methyl-1h,6h,7h,8h-cyclohexa[g]isochromen-9-one
6-[(r)-[(2s)-3,3-dimethyloxiran-2-yl](hydroxy)methyl]-7-methoxychromen-2-one
(1s,2r,4r,7r,9s)-4-(furan-3-yl)-1-methyl-5,10-dioxatricyclo[7.2.1.0²,⁷]dodecane-6,11-dione
(2r)-5-hydroxy-2-methyl-2-[(2r,3s)-3-methyl-5-oxooxolan-2-yl]-3h-1-benzopyran-4-one
(3r)-3,6-dihydroxy-8,8-dimethyl-1-oxo-3h,4h,7h,9h-indeno[4,5-c]pyran-5-carbaldehyde
(2s,4'as,6'r,7'r,8's,8'ar)-7',8'-dihydroxy-6'-(hydroxymethyl)-hexahydrospiro[oxolane-2,2'-pyrano[2,3-b][1,4]dioxin]-5-one
(1r,2s)-2-hydroxy-2-[(2r)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl acetate
(2r,3r,4s,5s,6r)-2-[(5-hydroxyfuran-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2s)-2-{[(2s)-2-amino-4-carboxy-1-hydroxybutylidene]amino}pentanedioic acid
(1s,4s)-4-[(5r)-8-methyl-4,7-dioxo-1,6-dioxaspiro[4.4]nona-2,8-dien-3-yl]cyclohexane-1-carbaldehyde
2-[(2s)-6-acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl]prop-2-en-1-yl acetate
6-hydroxy-5-methoxy-7-[(3-methylbut-2-en-1-yl)oxy]chromen-2-one
(1s,2s,4as,9ar,10s)-1,2,8,10-tetrahydroxy-6-methyl-2,4a,9a,10-tetrahydro-1h-anthracen-9-one
6-hydroxy-3,15-dimethyl-5,14-dioxatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-2,11-diene-4,13-dione
6-(1,2-dihydroxy-3-methylbut-3-en-1-yl)-7-methoxychromen-2-one
11β,13-dihydrolactucin
{"Ingredient_id": "HBIN000357","Ingredient_name": "11\u03b2,13-dihydrolactucin","Alias": "NA","Ingredient_formula": "C15H16O5","Ingredient_Smile": "CC1=C2C(C3C(C(C1)O)C(=C)C(=O)O3)C(=CC2=O)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40764","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4-dihydro-1,2-secomicrominutinin methyl ester
{"Ingredient_id": "HBIN007347","Ingredient_name": "3,4-dihydro-1,2-secomicrominutinin methyl ester","Alias": "NA","Ingredient_formula": "C15H16O5","Ingredient_Smile": "COC(=O)CCC1=C(C2=C(C=C1)OC3C2C(=C)CO3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5710","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3'-(r)-(+)-hamaudol
{"Ingredient_id": "HBIN009582","Ingredient_name": "3'-(r)-(+)-hamaudol","Alias": "3'(r)-(+)-hamaudol","Ingredient_formula": "C15H16O5","Ingredient_Smile": "CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C(C3)O)(C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31056;9203","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3'(s)-(?)-hamaudol
{"Ingredient_id": "HBIN009719","Ingredient_name": "3'(s)-(?)-hamaudol","Alias": "NA","Ingredient_formula": "C15H16O5","Ingredient_Smile": "CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C(C3)O)(C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15701","TCMID_id": "9204","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-methyoxymarmesin
{"Ingredient_id": "HBIN011826","Ingredient_name": "5-methyoxymarmesin","Alias": "NA","Ingredient_formula": "C15H16O5","Ingredient_Smile": "CC(C)(C1CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14811","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-methoxy-8-(1,4-dihydroxy-3-methyl-2-butenyl)-2h-1-benzopyran-2-one
{"Ingredient_id": "HBIN013321","Ingredient_name": "7-methoxy-8-(1,4-dihydroxy-3-methyl-2-butenyl)-2h-1-benzopyran-2-one","Alias": "NA","Ingredient_formula": "C15H16O5","Ingredient_Smile": "NA","Ingredient_weight": "276.28","OB_score": "NA","CAS_id": "98619-28-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7438","PubChem_id": "NA","DrugBank_id": "NA"}
1,5-dihydroxy-3-(hydroxymethyl)-10a-methyl-6,7-dihydro-5h-xanthen-9-one
6-[(2s)-2-hydroperoxy-3-methylbut-3-en-1-yl]-7-methoxychromen-2-one
methyl 4-hydroxy-2-{[(3-phenylprop-2-enoyl)oxy]methyl}but-2-enoate
8-[(3,3-dimethyloxiran-2-yl)(hydroxy)methyl]-7-methoxychromen-2-one
methyl (4ar,7s,7ar)-4a,7-dimethyl-4,6-dioxo-5h,7h,8h-indeno[5,6-b]furan-7a-carboxylate
6-[(2r)-2-hydroperoxy-3-methylbut-3-en-1-yl]-7-methoxychromen-2-one
4-{5-[(1z)-2-carboxy-2-methyleth-1-en-1-yl]furan-3-yl}cyclohex-1-ene-1-carboxylic acid
(2r,3r)-8-hydroxy-3-(hydroxymethyl)-2,3,9-trimethyl-2h-furo[3,2-c]chromen-4-one
(1r,3s,5s,10s,11s)-5-hydroxy-3,7,12-trimethyl-2,9-dioxatetracyclo[9.3.0.0¹,³.0⁶,¹⁰]tetradeca-6,12-diene-8,14-dione
(8s)-8-(2-hydroxypropan-2-yl)-5-methoxy-8h,9h-furo[2,3-h]chromen-2-one
8-(2-hydroxypropan-2-yl)-5-methoxy-8h,9h-furo[2,3-h]chromen-2-one
(3ar,4s,9ar,9br)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2,7-dione
(3r,4s,4as)-4,8,9-trihydroxy-3,4a-dimethyl-3,4-dihydro-2h-xanthen-1-one
3,6-dihydroxy-4,5-bis[(1-hydroxyethylidene)amino]oxane-2-carboxylic acid
methyl 2-{[4-(formyloxy)phenyl]methylidene}-4-methyl-3-oxopentanoate
8-(3,4-dihydroxy-3-methylbut-1-en-1-yl)-7-methoxychromen-2-one
7-{[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]oxy}-6-methoxychromen-2-one
methyl (2e)-4-hydroxy-2-({[(2e)-3-phenylprop-2-enoyl]oxy}methyl)but-2-enoate
5,7-dihydroxy-8-(4-hydroxy-3-methylbut-2-en-1-yl)-2-methylchromen-4-one
5,7-dihydroxy-6-[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]-2-methylchromen-4-one
5-methyl-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2h-furan-3-one
(3as,4r,4as,9as)-4-hydroxy-5-(hydroxymethyl)-8-methyl-3-methylidene-3ah,4h,4ah,9h,9ah-azuleno[6,5-b]furan-2,7-dione
7-[(4-hydroxy-3-methylbut-2-en-1-yl)oxy]-6-methoxychromen-2-one
1-methyl-5-{9h-pyrido[3,4-b]indole-1-carbonyl}imidazole
(1s,3s,6s,10r,11s)-3,11-dimethyl-7-methylidene-2,9,12-trioxatetracyclo[9.4.0.0¹,³.0⁶,¹⁰]pentadec-14-ene-8,13-dione
(1s,2s,3r)-2,8-dihydroxy-1-(hydroxymethyl)-3-methyl-1,2,3,4-tetrahydroxanthen-9-one
methyl 8-(acetyloxy)-2,2-dimethylchromene-6-carboxylate
8-[(1z,3s)-3,4-dihydroxy-3-methylbut-1-en-1-yl]-7-methoxychromen-2-one
2-(4-hydroxyphenyl)ethyl 2-(4-oxo-5,6-dihydropyran-3-yl)acetate
8-hydroxy-3-(hydroxymethyl)-2,3,9-trimethyl-2h-furo[3,2-c]chromen-4-one
2-[(2r,3r)-5-acetyl-3-hydroxy-2,3-dihydro-1-benzofuran-2-yl]prop-2-en-1-yl acetate
4,8,9-trihydroxy-3,4a-dimethyl-3,4-dihydro-2h-xanthen-1-one
7,8-dihydroxy-6-methoxy-5-(3-methylbut-2-en-1-yl)chromen-2-one
(1s)-6,8-dihydroxy-1-methyl-5-(3-methylbut-2-en-1-yl)-1h-isochromene-3,7-dione
(1r,4s,6s,13r,14r)-6,11-dimethyl-5,9,15,17-tetraoxapentacyclo[11.2.2.0¹,¹⁴.0⁴,⁶.0⁸,¹²]heptadeca-8(12),10-dien-16-one
8-(1-hydroxy-3-methyl-2-oxobutyl)-7-methoxychromen-2-one
(1'r,2r,5'r,8'r)-3',4'-dimethyl-11'-oxo-10'-oxaspiro[oxirane-2,12'-tricyclo[6.4.0.0¹,⁵]dodecane]-3',6'-diene-7'-carboxylic acid
(2s)-2-{[(4s)-4-amino-4-carboxy-1-hydroxybutylidene]amino}pentanedioic acid
4-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-6-oxocyclohex-1-ene-1-carboxylic acid
8-[(2s,3s)-3-(2-hydroxypropan-2-yl)oxiran-2-yl]-7-methoxychromen-2-one
3-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5h-furan-2-one
2-hydroxy-4,8,8-trimethyl-4h,9h,10h-pyrano[3,2-f]isochromene-5,6-dione
2-(6-acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)prop-2-en-1-yl acetate
3-(3-hydroxy-2-methoxy-5-methylphenoxy)-5-methylbenzene-1,2-diol
5,5-dimethyl-11,13-dioxatetracyclo[7.6.0.0¹,¹².0²,⁷]pentadec-2(7)-ene-3,8,14-trione
4-[4-methyl-5-(4-methylfuran-2-yl)-5-oxopent-3-en-1-yl]-2,6-dioxabicyclo[3.1.0]hexan-3-one
8-[(1r,2s)-1,2-dihydroxy-3-methylbut-3-en-1-yl]-7-methoxychromen-2-one
9-hydroxy-10-methoxy-8,8-dimethyl-9h,10h-pyrano[2,3-h]chromen-2-one
5-hydroxy-3,7,12-trimethyl-2,9-dioxatetracyclo[9.3.0.0¹,³.0⁶,¹⁰]tetradeca-6,12-diene-8,14-dione
5-acetyl-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-3-yl acetate
(1r,2r,6s,8e,11s)-11-hydroxy-8-methyl-3-methylidene-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-8,12(15)-diene-4,13-dione
(1r,2r)-2-hydroxy-2-[(2r)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethyl acetate
8-[(1z,3r)-3,4-dihydroxy-3-methylbut-1-en-1-yl]-7-methoxychromen-2-one
7',8'-dihydroxy-6'-(hydroxymethyl)-hexahydrospiro[oxolane-2,2'-pyrano[2,3-b][1,4]dioxin]-5-one
(6s,8r)-6,10,11-trihydroxy-4,8,12-trimethyl-2-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),4,9(13),10-tetraen-3-one
8-{[(2s)-3,3-dimethyloxiran-2-yl]methoxy}-7-methoxychromen-2-one
4-{5-[(1e)-2-carboxy-2-methyleth-1-en-1-yl]furan-3-yl}cyclohex-1-ene-1-carboxylic acid
4-[(1r)-1-hydroxy-3-methylbutyl]-2h-[1,3]dioxolo[4,5-g]chromen-6-one
5,9-dihydroxy-7-methoxy-3-methyl-3h,4h,4ah,5h-naphtho[2,3-c]pyran-10-one
(5s,6s)-5-hydroxy-4,6-dimethoxy-6-[(1e)-2-phenylethenyl]-5h-pyran-2-one
4-hydroxy-2-(2-hydroxypropan-2-yl)-7-methyl-2h,3h-furo[3,2-g]chromen-5-one
8-(2-hydroperoxy-3-methylbut-3-en-1-yl)-7-methoxychromen-2-one
8-(1,2-dihydroxy-3-methylbut-3-en-1-yl)-7-methoxychromen-2-one
(3as,4r,9as,9br)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2,7-dione
8-[(3,3-dimethyloxiran-2-yl)methoxy]-7-methoxychromen-2-one
5,9-dihydroxy-8-methoxy-2,4-dimethyl-7h,8h,9h-naphtho[1,2-b]furan-6-one
(1'r,2r,3'r,5's,6'r,9'r)-3'-methyl-12'-oxo-11'-oxaspiro[oxirane-2,13'-tetracyclo[7.4.0.0¹,⁶.0³,⁵]tridecan]-7'-ene-8'-carboxylic acid
3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5h-furan-2-one
6,10-dihydroxy-7-methoxy-3-methyl-1h,6h,7h,8h-cyclohexa[g]isochromen-9-one
6,10,11-trihydroxy-4,8,12-trimethyl-2-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),4,9(13),10-tetraen-3-one
8-[3-(2-hydroxypropan-2-yl)oxiran-2-yl]-7-methoxychromen-2-one
11-hydroxy-8-methyl-3-methylidene-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-8,12(15)-diene-4,13-dione
1,2,8-trihydroxy-6-methyl-1,2,3,4,4a,9a-hexahydroanthracene-9,10-dione
5-hydroxy-6-methoxy-7-[(3-methylbut-2-en-1-yl)oxy]chromen-2-one
6-{[(2s)-2-hydroxy-3-methylbut-3-en-1-yl]oxy}-7-methoxychromen-2-one
(1r,4r,6r,13r,14r)-6,11-dimethyl-5,9,15,17-tetraoxapentacyclo[11.2.2.0¹,¹⁴.0⁴,⁶.0⁸,¹²]heptadeca-8(12),10-dien-16-one
(1s,4z,13s,14s)-8,11-dihydroxy-15,17-dioxatetracyclo[11.2.2.0¹,¹⁴.0⁷,¹²]heptadeca-4,7(12),9-trien-16-one
8-[(2s)-2-hydroperoxy-3-methylbut-3-en-1-yl]-7-methoxychromen-2-one
(1'r,2r,4'r,5's,8'r)-3',4'-dimethyl-11'-oxo-10'-oxaspiro[oxirane-2,12'-tricyclo[6.4.0.0¹,⁵]dodecane]-2',6'-diene-7'-carboxylic acid
10-amino-11-methoxy-16-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
8-[(1e)-3-hydroperoxy-3-methylbut-1-en-1-yl]-7-methoxychromen-2-one
6-(furan-3-yl)-7,11-dimethyl-2,5-dioxatricyclo[5.4.0.0¹,³]undecane-4,9-dione
(1s,2r)-5-hydroxy-4-oxo-2-(2-oxopropyl)-2,3-dihydro-1h-naphthalen-1-yl acetate
(8s)-6-hydroxy-5-methoxy-8,9,9-trimethyl-8h-furo[2,3-h]chromen-2-one
4-(furan-3-yl)-1-methyl-5,10-dioxatricyclo[7.2.1.0²,⁷]dodecane-6,11-dione
methyl 3-{12-hydroxy-3-methylidene-5,7-dioxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-trien-11-yl}propanoate
(1s,2s,5s,6s,12s,13s,15r,16r)-5,15-dimethyl-3,11,14-trioxapentacyclo[7.6.1.0²,⁶.0¹²,¹⁶.0¹³,¹⁵]hexadec-8-ene-4,10-dione
7-{[(2s)-3,3-dimethyloxiran-2-yl]methoxy}-8-methoxychromen-2-one
6,11-dimethyl-5,9,15,17-tetraoxapentacyclo[11.2.2.0¹,¹⁴.0⁴,⁶.0⁸,¹²]heptadeca-8(12),10-dien-16-one
5-hydroxy-8-methoxy-2,4-dimethyl-2h,3h,5ah,9ah-naphtho[1,2-b]furan-6,9-dione
8-[(1e,3r)-3,4-dihydroxy-3-methylbut-1-en-1-yl]-7-methoxychromen-2-one
9-hydroxy-8-methyl-3-methylidene-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-7,12(15)-diene-4,13-dione
(2s)-4-hydroxy-2-(2-hydroxypropan-2-yl)-7-methyl-2h,3h-furo[3,2-g]chromen-5-one
2-[2-(2,5-dihydroxyphenyl)ethyl]-6-methoxybenzene-1,4-diol
4-methoxy-2,8-dimethyl-1-benzoxonine-6,10,11-triol
8-[(r)-[(2s)-3,3-dimethyloxiran-2-yl](hydroxy)methyl]-7-methoxychromen-2-one
(1r,2r)-2-hydroxy-1-[(2r)-6-oxo-2,3-dihydropyran-2-yl]-2-phenylethyl acetate
(1r,2s,4r,7s,9r)-4-(furan-3-yl)-1-methyl-5,10-dioxatricyclo[7.2.1.0²,⁷]dodecane-6,11-dione
(1r,4s,5s)-4-[(3e)-4-methyl-5-(4-methylfuran-2-yl)-5-oxopent-3-en-1-yl]-2,6-dioxabicyclo[3.1.0]hexan-3-one
5,7-dihydroxy-8-[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]-2-methylchromen-4-one
(2s)-5-hydroxy-2-methyl-2-[(2s,3r)-3-methyl-5-oxooxolan-2-yl]-3h-1-benzopyran-4-one
(5s,10as)-1,5-dihydroxy-3-(hydroxymethyl)-10a-methyl-6,7-dihydro-5h-xanthen-9-one
(2e)-3-[(2r)-butan-2-yldisulfanyl]prop-2-en-1-yl (2e)-2-(hydroxymethyl)but-2-enoate
C12H20O3S2 (276.08538100000004)
(3s,4ar,5s)-5,9-dihydroxy-7-methoxy-3-methyl-3h,4h,4ah,5h-naphtho[2,3-c]pyran-10-one
(1s,6r,8s,15r)-6-hydroxy-3,15-dimethyl-5,14-dioxatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-2,11-diene-4,13-dione
12-ethenyl-2-hydroxy-5,12-dimethyl-9-methylidene-3,11-dioxatricyclo[6.3.1.0²,⁶]dodec-5-ene-4,10-dione
4-hydroxy-5-(hydroxymethyl)-8-methyl-3-methylidene-3ah,4h,4ah,9h,9ah-azuleno[6,5-b]furan-2,7-dione
(1r,6s,8r,15s)-6-hydroxy-3,15-dimethyl-5,14-dioxatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-2,11-diene-4,13-dione
(1r,13s,16r)-3,6,13-trihydroxy-15-oxatetracyclo[7.6.1.0²,⁷.0¹³,¹⁶]hexadeca-2,4,6-trien-10-one
(1s,2s,4ar,9as)-1,2,8-trihydroxy-6-methyl-1,2,3,4,4a,9a-hexahydroanthracene-9,10-dione
(1s,3s,6s,7s,11r)-6-(furan-3-yl)-7,11-dimethyl-2,5-dioxatricyclo[5.4.0.0¹,³]undecane-4,9-dione
(1r,2s,6s,8e,11s)-11-hydroxy-8-methyl-3-methylidene-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-8,12(15)-diene-4,13-dione
8-(3-hydroperoxy-3-methylbut-1-en-1-yl)-7-methoxychromen-2-one
4-[5-(2-carboxy-2-methyleth-1-en-1-yl)furan-3-yl]cyclohex-1-ene-1-carboxylic acid
1,2,8,10-tetrahydroxy-6-methyl-2,4a,9a,10-tetrahydro-1h-anthracen-9-one
[4-hydroxy-7-(3-methylbut-2-en-1-yl)-3-oxo-1h-2-benzofuran-1-yl]acetic acid
3-[(2r)-butan-2-yldisulfanyl]prop-2-en-1-yl 2-(hydroxymethyl)but-2-enoate
C12H20O3S2 (276.08538100000004)