Exact Mass: 416.1384
Exact Mass Matches: 416.1384
Found 500 metabolites which its exact mass value is equals to given mass value 416.1384
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
8-Acetoxypinoresinol
Constituent of Olea europaea (olive). 8-Acetoxypinoresinol is found in many foods, some of which are herbs and spices, pomes, fats and oils, and olive. 8-Acetoxypinoresinol is found in fats and oils. 8-Acetoxypinoresinol is a constituent of Olea europaea (olive).
2-Hydroxybenzaldehyde O-[xylosyl-(1->6)-glucoside]
2-Hydroxybenzaldehyde O-[xylosyl-(1->6)-glucoside] is found in alcoholic beverages. 2-Hydroxybenzaldehyde O-[xylosyl-(1->6)-glucoside] is isolated from Filipendula ulmaria (meadowsweet). Isolated from Filipendula ulmaria (meadowsweet). 2-Hydroxybenzaldehyde O-[xylosyl-(1->6)-glucoside] is found in tea and alcoholic beverages.
4'-Methylliquiritigenin 7-rhamnoside
4-Methylliquiritigenin 7-rhamnoside is found in fruits. 4-Methylliquiritigenin 7-rhamnoside is a constituent of Prunus cerasoides (wild Himalayan cherry). Constituent of Prunus cerasoides (wild Himalayan cherry). 4-Methylliquiritigenin 7-rhamnoside is found in fruits.
Iophendylate
Iophendylate is a mixture of isomers used as contrast medium, mainly for brain and spinal cord visualization. Iophendylate is a myelographic oil-ester (U.S. Patent 2,348,231). Iophendylate, which was never shown to be safe, was initially introduced for use in small amounts (1-2cc) for locating spinal tumors. It next appeared on the world scene for high volume (12-15cc), routine use, in diagnosing disc herniations. A number of clinicians have published on the dangers of oil myelography. In 1942 Van Wagenen (a neurosurgical colleague of Warrens, at the University of Rochester) identified Iophendylate as causing chemical meningitis in 30 patients where space-displacing masses within the spinal canal were suspected.
3b,8b-Dihydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8-olide
3b,8b-Dihydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8-olide is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot)
(R)-3-[3-(4-Fluorophenylsulphonylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]propionic acid
4,5-Dihydro-4-((1-piperazinyl)acetyl)-7-(3-(trifluoromethyl)phenyl)pyrazolo(1,5-a)pyrimidine-3-carbonitrile
Halopemide
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Halopemide is a potent phospholipase D (PLD) inhibitor, with IC50s of 220 and 310 nM for human PLD1 and PLD2, respectively. Halopemid is a dopamine receptors antagonist, and acts a psychotropic agent[1][2]. Halopemide is a potent phospholipase D (PLD) inhibitor, with IC50s of 220 and 310 nM for human PLD1 and PLD2, respectively. Halopemid is a dopamine receptors antagonist, and acts a psychotropic agent[1][2].
1-(2-Chloro-4-(6,7-dimethoxyquinazolin-4-yloxy)phenyl)-3-propylurea
3,7-Dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one
3alpha,4alpha-Epoxy-9-oxo-8beta-(5-acetoxy-tiglinoyloxy)-3,4-dihydro-lasiolaenin
Apetalolide
[3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate
Regaloside C
Regaloside C is a natural product found in Lilium henryi, Lilium brownii, and other organisms with data available. Regaloside C is a glycerol glucoside isolated from the bulbs of?Lilium genus with anti-inflammatory activities. Regaloside C has cardiomyocyte protective activity by protecting the mitochondria in H2O2-induced heart H9C2 cells[1].
2,3,6-Tri-Me ether,di-Ac-(S)-2,3,4,6,7-Pentahydroxyisoflavan
(2xi,3aR,10bR)-8-(2-Acetoxy-1-methylethyl)-3,3a-dihydro-7,9,10-trihydroxy-3a,10b-dimethyl-1H-5-oxaacephenanthrilen-4(2H),6(10bH)-dion
4-[O-alpha-apiofuranosyl-(1->2)-beta-D-glucopyranosyloxy]benzaldehyde
8beta-(5-acetoxytiglinoyloxy)-atripliciolide|8beta-<5-acetoxytiglinoyloxy>-atripliciolide
3,4-trans-3-methyl-4-[(5-hydroxy-3,4-methylenedioxyphenyl)(3,4,5-trimethoxyphenyl)methyl]butyrolactone
4-O-(3,4-Dihydroxycinnamoyl)-beta-D-(2R)-1-O-Glucopyranosylglycerol
(beta,beta-Dihydroxy-isopropyl)-(O3-alpha-D-mannopyranosyl-alpha-D-galactopyranosid)|(beta,beta-dihydroxy-isopropyl)-(O3-alpha-D-mannopyranosyl-alpha-D-galactopyranoside)
(aS)-(5S,6S,6aS,7S,12bS)-5,6,6a,7-tetrahydro-5,7-dihydroxy-2,3,12-trimethoxy-6,6a-dimethyl-1H-indeno[1,7a:2,3]indeno-[5,6-d]dioxol-1-one|kadsuphilin M
(6S,7S)-6,7-dihydro-1,7-dihydroxy-2,3,13-trimethoxy-6,7-dimethyl-benzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-8(5H)-one|kadoblongifolin A
O-alpha-D-Galactopyranosyl-(1鈥樏傗垎2)-O-alpha-D-Glucopyranosyl-(1鈥樏傗垎1)-D-glycerol
(1S,2R,5S,6R)-2-(5-methoxy-3,4-methylenedioxyphenyl)-6-(4-hydroxy-3,5-dimethoxyphenyl)-3,7-dioxabicyclo[3.3.0]octane
5a,6-Dihydro-3-(1H-indol-3-yl)-1,4-dimethoxy-10bH-benzofuro[2,3-b]indole-2,10b-diol
5-methoxy-8,8-dimethyl-10-[(2E)-2-methylbut-2-enoyl]-4-phenyl-2H,8H-pyrano[3,2-g]chromen-2-one|Apetalolide|Apetatolide
4alpha,18-epoxytafricanin A|tafricanin A epoxide|tafricanine A epoxide
(6S,7S)-6,7-dihydro-3,7-dihydroxy-1,2,13-trimethoxy-6,7-dimethyl-benzo[3,4]cycloocta[1,2-f][1,3]benzo-dioxol-8(5H)-one|kadoblongifolin B
(+)-dictyosphaeric acid A|(2E,4E,6E)-7-((2aS,2a(1)S,5aS,6R,10S)-5a,6-dihydroxy-10-methyl-5,12-dioxo-2a,2a(1),5,5a,6,7,8,9,10,12-decahydrobenzofuro[3,4-cd]oxecin-1-yl)hepta-2,4,6-trienoic acid|dictyophaeric acid A
(2RS)-2-(3-benzoylphenyl)propionyl beta-D-glucopyranoside
beta-D-xylopyranosyl(1->2)-7-O-benzoyl-beta-D-glucopyranoside
comazaphilone E
An azaphilone that is 5,6,7,8-tetrahydro-1H-isochromene substituted by a hydroxy group and a methyl group at position 7, an oxo group at position 8, a prop-1-en-1-yl group at position 3 and a (3,4-dihydroxy-2-methoxy-6-methylbenzoyl)oxy group at position 6. Isolated from Penicillium commune, it exhibits antibacterial and antineoplastic activities.
comazaphilone C
An azaphilone that is 5,6,7,8-tetrahydro-1H-isochromene substituted by a hydroxy group at position 6, a methyl group at position 7, an oxo group at position 8, a prop-1-en-1-yl group at position 3 and a (3,4-dihydroxy-2-methoxy-6-methylbenzoyl)oxy group at position 7. Isolated from Penicillium commune, it exhibits antibacterial activity.
2,3-trans-2-methyl-3-{(3-hydroxy-4,5-dimethoxyphenyl)[5-methoxy-3,4-(methylenedioxy)phenyl]methyl}butyrolactone
(1S,7S,8S,9S)-10-chloro-11-hydroxy-1,7-diisovaleroxyvaltrate chlorohydrin|chlorovaltrate O
(+)-3,5,7-trihydroxy-3-[3-hydroxy-2,4-dimethoxy-5-(3-methyl-2-butenyl)]-phenyl-4H-1-benzopyran-4-one|sophoranone
9beta-hydroxy-8beta-(5-acetoxytiglinoyloxy)-2-oxo-lasiolaenin|9beta-hydroxy-8beta-<5-acetoxytiglinoyloxy>-2-oxo-lasiolaenin
Regaloside K
[(2S)-3-hydroxy-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate is a natural product found in Lilium mackliniae with data available.
(2S,4S,5R,6R,7S,8R)-6-O-(3,9-dideoxy-D-threo-D-altro-nononic acid-2--yl)-D-glucopyranose
8alpha-senecioyloxy-3-oxo-1-desoxy-1,2-dehydrohirsutinolide-13-O-acetate
Diacetic acid 1,3-dioxane-4,5-diylbis(3-methoxy-p-phenylene) ester
((R)-2,3-Dihydroxy-propyl)-(O6-alpha-D-galactopyranosyl-beta-D-galactopyranosid)|((R)-2,3-dihydroxy-propyl)-(O6-alpha-D-galactopyranosyl-beta-D-galactopyranoside)|(2R)-1-O-[alpha-D-galactopyranosyl-(1->6)-O-beta-D-galactopyranosyl] glycerol|(2R)-3-O-[alpha-D-galactopyranosyl-(1->6)-O-beta-D-galactopyranosyl]-sn-glycerol|(2R)-3-O-[alpha-D-galactopyranosyl-(1->6)-O-beta-D-galactopyranosyl]glycerol|1-O-[alpha-D-galactopyranosyl-(1->6)-O-beta-D-galactopyranosyl]glycerol|3-O-alpha-D-galactopyranosyl(1<*>6)-O-beta-D-galactopyranosyl-sn-glycerol
3-(Hydroxymethyl)-3,4-dihydro-4-(3,5-dimethoxy-4-hydroxyphenyl)-5,7-dimethoxy-6-hydroxynaphthalene-2-carbaldehyde
2-(3,4,5-trimethoxyphenyl)-3,7-dihydroxy-6-((Z)-2-carboxyvinyl)-8-methyl-2,3-dihydro-1-benzopyran|malloapeltic acid
deoxypicropodophyllinic acid|Desoxypicropodophyllinsaeure
2-[[2-amino-2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid
(7R)-8-[1-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl]chrysin
(3Z)-6,7-dihydroxy-4-methoxy-3-(phenylmethylidene)-5-(3-phenylpropanoyl)-1-benzofuran-2(3H)-one|bractelactone
(2S,3S)-2-(4-hydroxy-3,5-dimethoxybenzyl)-3-(5-methoxy-3,4-methylenedioxybenzyl)butyrolactone
(R)-3-[3-(4-Fluorophenylsulphonylamino)-1,2,3,4-tetrahydrocarbazol- 9-yl]propionic acid
Halopemide
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Halopemide is a potent phospholipase D (PLD) inhibitor, with IC50s of 220 and 310 nM for human PLD1 and PLD2, respectively. Halopemid is a dopamine receptors antagonist, and acts a psychotropic agent[1][2]. Halopemide is a potent phospholipase D (PLD) inhibitor, with IC50s of 220 and 310 nM for human PLD1 and PLD2, respectively. Halopemid is a dopamine receptors antagonist, and acts a psychotropic agent[1][2].
[3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate
C22H24O8_(2E)-2,11-Dimethyl-7-methylene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0~4,8~]tetradeca-1(13),2-dien-9-yl (2E)-4-acetoxy-2-methyl-2-butenoate
C22H24O8_Benzoic acid, 3,6-dihydroxy-4-methoxy-2-methyl-, (6R,7R)-5,6,7,8-tetrahydro-7-hydroxy-7-methyl-8-oxo-3-[(1E)-1-propen-1-yl]-1H-2-benzopyran-6-yl ester
[3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000848266]
[3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000848265]
[3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate [IIN-based: Match]
[3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate_major
Ala Cys His Ser
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CAY10471
Ramatroban
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Spiraein (filipendula)
3b,8b-Dihydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8-olide
4'-Methylliquiritigenin 7-rhamnoside
3-Hydroxy-1-[(4-methoxy-7-oxo-7H-furo[3,2-g]chromen-9-yl)oxy]-3-methyl-2-butanyl (2E)-2-methyl-2-butenoate
4-(1,3-Benzodioxol-5-ylmethyl)-3-[hydroxy(3,4,5-trimethoxyphenyl) methyl]dihydro-2(3H)-furanone
Decamethonium Bromide
Decamethonium Bromide is a nicotinic AChR partial agonist and neuromuscular blocking agent. Target: nAChR Decamethonium (Syncurine) is a depolarizing muscle relaxant or neuromuscular blocking agent, and is used in anesthesia to induce paralysis. Decamethonium, which has a short action time, is similar to acetylcholine and acts as a partial agonist of the nicotinic acetylcholine receptor. In the motor endplate, it causes depolarization, preventing further effects to the normal release of acetylcholine from the presynaptic terminal, and therefore preventing the neural stimulus from affecting the muscle. In the process of binding, decamethonium actually activates (depolarizes) the motor endplate, but since the decamethonium itself is not degraded, the membrane remains depolarized and unresponsive to normal acetylcholine release [1].
3-O-methyl 5-O-(oxolan-2-ylmethyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
fenpiverinium bromide
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
4-(1-(3-FLUOROBENZYL)-1H-INDAZOL-5-YLAMINO)-5-METHYLPYRROLO[1,2-F][1,2,4]TRIAZINE-6-CARBOXYLIC ACID
Amosulalol hydrochloride
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
(S)-3-(1-Cyano-1,1-diphenylmethyl)-1-tosylpyrrolidine
L-741,742 hydrochloride,5-(4-Chlorophenyl)-4-methyl-3-(1-(2-phenylethyl)piperidin-4-yl)isoxazolehydrochloride
methyl 3-((2-(N-hydroxycarbamimidoyl)biphenyl-4-yl)methyl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazole-4-carboxylate
Phosphonicacid, [(phenylamino)-4-pyridinylmethyl]-, diphenyl ester (9CI)
Duvelisib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EM - Phosphatidylinositol-3-kinase (pi3k) inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
1H-1,2,4-Triazole-1-propanamide, 3-((2,2-difluoro-1,3-benzodioxol-5-yl)amino)-N,N-dimethyl-5-(4-pyridinyl)-
3-[3-[(4-Fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
5-(Benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-(1-piperidinylsulfonyl)benzamide
2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(4,5-diphenyl-2-oxazolyl)acetamide
4-Amino-2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylthio]-5-pyrimidinecarboxylic acid ethyl ester
N-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]-4-[(2-methyl-1-piperidinyl)sulfonyl]benzamide
[3-(1-Benzyl-3-carbamoylmethyl-2-methyl-1H-indol-5-yloxy)-propyl-]-phosphonic acid
9-hydroxy-6-(3-hydroxypropyl)-4-(2-methoxyphenyl)pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
N-(5-adenylyl)morpholine
An organic phosphoramidate obtained by formal condensation of the phosphate group of AMP with the amino group of L-morpholine.
[(4S,5R,6S,8S,10R)-10-[(S)-(2,4-dioxo-1H-pyrimidin-6-yl)-hydroxymethyl]-5-methyl-2,11-diaza-12-azoniatricyclo[6.3.1.04,12]dodec-1(12)-en-6-yl] hydrogen sulfate
[(4S,5R,6S,8S,10R)-10-[(R)-(2,4-dioxo-1H-pyrimidin-6-yl)-hydroxymethyl]-5-methyl-2,11-diaza-12-azoniatricyclo[6.3.1.04,12]dodec-1(12)-en-6-yl] hydrogen sulfate
Chaetoviridin G
An azaphilone that is 9,9a-dihydro-6H-furo[2,3-h]isochromene-6,8(6aH)-dione substituted by a chloro group at position 5, a methyl group at position 6a, a 2-methylbut-2-enoyl group at position 9 and a 3-methylpent-1-en-1-yl group at position 3. It has been isolated from Chaetomium globosum.
4-Epichaetoviridin F
An azaphilone that is 6H-furo[2,3-h]isochromene-6,8(6aH)-dione substituted by a chloro group at position 5, a methyl group at position 6a, a 2-methylbutanoyl group at position 9 and a 3-methylpent-1-en-1-yl group at position 3. It has been isolated from Chaetomium globosum.
4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
2-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3H-isoindol-1-one
N-(1-isoquinolinyl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide
[(6R,7R)-7-hydroxy-7-methyl-8-oxo-3-[(E)-prop-1-enyl]-5,6-dihydro-1H-isochromen-6-yl] 3,6-dihydroxy-4-methoxy-2-methylbenzoate
methyl 2-[3-[(E)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]indol-1-yl]acetate
3-[[4-(2-Benzofuranyl)-2-thiazolyl]methyl]-2-[(dimethylamino)methyl]-4-quinazolinone
3-oxo-4H-1,4-benzothiazine-6-carboxylic acid [2-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester
ethyl 6-amino-5-cyano-4-(2,4-dimethoxyphenyl)-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylate
2,3-Dihydro-1,4-benzodioxin-3-yl-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone
4-[4-Diethoxyphosphoryl-2-(1-naphthalenyl)-5-oxazolyl]morpholine
4-[[3-[(2-methoxyphenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid
12-oxo-N-(4-phenyl-2-thiazolyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-methylpent-3-yl ester
N-[5-[2-(2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-2-methylpentanamide
2-[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide
WURCS=2.0/3,3,2/[hxh][a2122h-1b_1-5][a2112h-1b_1-5]/1-2-3/a3-b1_b4-c1
3-phenyl-6-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-1H-pyrimidine-2,4-dione
2-[(3S,6aR,8S,10aR)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide
2-[(3S,6aS,8R,10aS)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide
2-[(1S,3S,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1S,3S,4aR,9aS)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1S,3R,4aR,9aS)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(3R,6aR,8S,10aR)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide
2-[(3S,6aS,8S,10aS)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide
1,3-benzodioxol-5-yl-[(1R,5S)-7-[4-(2-fluorophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone
2-[(1R,3R,4aR,9aS)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1S,3R,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1R,3R,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1R,3S,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(3R,6aR,8R,10aR)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide
2-[(3S,6aR,8R,10aR)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide
2-[(3R,6aS,8S,10aS)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide
2-[(3R,6aS,8R,10aS)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide
WURCS=2.0/3,3,2/[hxh][a2122h-1a_1-5][a2112h-1a_1-5]/1-2-3/a3-b1_b2-c1
4-(3-Methoxybenzoyl)-5-(4-methoxyphenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione
2,3-dihydroxypropyl 2-O-alpha-D-glucopyranosyl-beta-D-galactofuranoside
1-O-(4-O-alpha-D-glucoopyranosyl-beta-D-galactopyranosyl)-glycerol
2-(D-glucopyranosyloxy)-3-hydroxypropyl D-galactopyranoside
1-(D-glucopyranosyloxy)-3-hydroxypropan-2-yl D-galactopyranoside
[(S)-3-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-2-hydroxypropyl]beta-D-glucopyranoside
3-(7,12-Dihydroxy-10-methoxy-4,5,5,14-tetramethyl-9-oxo-3-oxatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),7,11,13-pentaen-10-yl)-2-hydroxypropanoic acid
2-Hydroxybenzaldehyde O-[xylosyl-(1->6)-glucoside]
3-hydroxy-1-{4-methyl-9h-pyrido[3,4-b]indol-1-yl}-2-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}propan-1-one
(3s,4s)-4-[(s)-(4-hydroxy-3,5-dimethoxyphenyl)(7-methoxy-2h-1,3-benzodioxol-5-yl)methyl]-3-methyloxolan-2-one
(2r,4'as,5'r,5''s,6'r,8'as)-5''-(furan-3-yl)-6'-methyl-2',2'',8'-trioxo-tetrahydro-3'h-dispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'a-ylmethyl acetate
(6r,7r)-6-hydroxy-7-methyl-8-oxo-3-(prop-1-en-1-yl)-5,6-dihydro-1h-isochromen-7-yl 3,4-dihydroxy-2-methoxy-6-methylbenzoate
5,7-dihydroxy-2-{4-hydroxy-3-[(3s)-4-hydroxy-3-methylbutyl]phenyl}-3,6-dimethoxychromen-4-one
(1s,11s,12s,13s,14s)-11,14-dihydroxy-3,17,18-trimethoxy-12,13-dimethyl-5,7-dioxapentacyclo[10.7.0.0¹,¹⁵.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,15,17-pentaen-19-one
(3s,4s)-4-[(r)-(7-hydroxy-2h-1,3-benzodioxol-5-yl)(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one
4-(2h-1,3-benzodioxol-5-ylmethyl)-3-[hydroxy(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
(8r,9r)-8-benzyl-5,8,9-trihydroxy-6-methyl-4-phenyl-9h-furo[2,3-h]chromen-2-one
methyl 4-(3-formyl-4,6-dihydroxy-2,5-dimethylbenzoyloxy)-2-methoxy-3,5,6-trimethylbenzoate
(1s,2r,6s,7s,10r,12r,14s)-14-methyl-5,9-dimethylidene-4,8-dioxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan-7-yl (2e)-2-[(acetyloxy)methyl]but-2-enoate
(2r)-1-hydroxy-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(2s,3r,4s,5r,6s)-6-{[(2s,3s,4s,5s,6s,7r)-1,3,4,5,6,7-hexahydroxy-8-oxooctan-2-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
1-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate
(1r)-10-hydroxy-3-methyl-1-propyl-8-[(2s,3r,4r,5r)-3,4,5-trihydroxyoxan-2-yl]-1h-cyclohexa[g]isochromene-6,9-dione
(2z,4s,8s,9r,11r)-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl (2e)-2-[(acetyloxy)methyl]but-2-enoate
(3as,4r,5r,9as,9br)-5-(acetyloxy)-6,9-dimethyl-3-methylidene-2,7-dioxo-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl (2s,3r)-2,3-dimethyloxirane-2-carboxylate
3-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
7-hydroxy-3-(3-hydroxyprop-1-en-1-yl)-7-methyl-8-oxo-5,6-dihydro-1h-isochromen-6-yl 2-hydroxy-4-methoxy-6-methylbenzoate
(2e)-4-[(1s,2s,6s)-4-[chloro(methoxy)methyl]-2-hydroxy-3-(2-hydroxyheptyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid
(1r,2r,4s,5r,6s,9s,10r,11s,13s)-10-chloro-2,11-dihydroxy-2,6,11-trimethyl-7-oxo-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-4-yl 2-methylbutanoate
(2r,3r,4s)-4-[bis(7-methoxy-2h-1,3-benzodioxol-5-yl)methyl]-3-methyloxolan-2-ol
(1s)-2-[(1r,2s,4s,9r,12s,13r)-4,13-dihydroxy-11-methylidene-7-oxo-8,14-dioxatetracyclo[7.6.0.0¹,⁶.0²,¹²]pentadec-5-en-12-yl]-1-(furan-3-yl)ethyl acetate
(1r)-8-[(2r,3r,4s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-10-hydroxy-3-methyl-1-propyl-1h-cyclohexa[g]isochromene-6,9-dione
2-[(2e)-but-2-en-2-yl]-4-hydroxy-5-methylphenyl 2-[(2e)-but-2-en-2-yl]-3-chloro-4,6-dihydroxy-5-methylbenzoate
6-hydroxy-3-(3-hydroxyprop-1-en-1-yl)-7-methyl-8-oxo-5,6-dihydro-1h-isochromen-7-yl 2-hydroxy-4-methoxy-6-methylbenzoate
(1s,2s,11s,18s)-7,9,13,15-tetramethoxy-4,19-dioxapentacyclo[9.9.0.0²,¹⁸.0⁵,¹⁰.0¹²,¹⁷]icosa-5(10),6,8,12(17),13,15-hexaene-8,14-diol
5-[(2e)-but-2-en-2-yl]-3-hydroxy-2-methylphenyl 2-[(2e)-but-2-en-2-yl]-3-chloro-4,6-dihydroxy-5-methylbenzoate
(11s,12r,13s,14s)-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaene-11,14-diol
(6s,7s)-6-hydroxy-3-[(1e)-3-hydroxyprop-1-en-1-yl]-7-methyl-8-oxo-5,6-dihydro-1h-isochromen-7-yl 2-hydroxy-4-methoxy-6-methylbenzoate
(1r,9r)-5-(1h-indol-3-yl)-3,6-dimethoxy-8-oxa-10-azatetracyclo[7.7.0.0²,⁷.0¹¹,¹⁶]hexadeca-2,4,6,11,13,15-hexaene-1,4-diol
(3s,4s)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-[(7-methoxy-2h-1,3-benzodioxol-5-yl)methyl]oxolan-2-one
(1s,2r,5r,6s,10r,11r,14r)-5,10-dihydroxy-2,6-dimethyl-9,13-dioxo-8,12-dioxatetracyclo[9.3.1.0¹,⁵.0⁶,¹⁰]pentadecan-14-yl benzoate
10-O-acetylgeniposidic acid
{"Ingredient_id": "HBIN000178","Ingredient_name": "10-O-acetylgeniposidic acid","Alias": "NA","Ingredient_formula": "C18H24O11","Ingredient_Smile": "CC(=O)OCC1=CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "416.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39936","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101996850","DrugBank_id": "NA"}
(2s,3s)-2-(4-hydroxy-3,5-dimethoxybenzyl)-3-(5-methoxy-3,4-methylenedioxybenzyl)butyrolactone
{"Ingredient_id": "HBIN006695","Ingredient_name": "(2s,3s)-2-(4-hydroxy-3,5-dimethoxybenzyl)-3-(5-methoxy-3,4-methylenedioxybenzyl)butyrolactone","Alias": "NA","Ingredient_formula": "C22H24O8","Ingredient_Smile": "COC1=CC(=CC(=C1O)OC)CC2C(COC2=O)CC3=CC4=C(C(=C3)OC)OCO4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10014","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s,3s)-(+)-5'-methoxyyatein
{"Ingredient_id": "HBIN006724","Ingredient_name": "(2s,3s)-(+)-5'-methoxyyatein","Alias": "NA","Ingredient_formula": "C22H24O8","Ingredient_Smile": "COC1=CC(=CC(=C1OC)OC)CC2C(COC2=O)C3=CC4=C(C(=C3)OC)OCO4","Ingredient_weight": "416.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14100","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101271469","DrugBank_id": "NA"}
7-hydroxyyatein
{"Ingredient_id": "HBIN013295","Ingredient_name": "7-hydroxyyatein","Alias": "NA","Ingredient_formula": "C22H24O8","Ingredient_Smile": "COC1=CC(=CC(=C1OC)OC)CC2C(COC2=O)CC3=CC4=C(C=C3O)OCO4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10832","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(8r,8'r)-4-hydroxycubebinone
{"Ingredient_id": "HBIN013892","Ingredient_name": "(8r,8'r)-4-hydroxycubebinone","Alias": "NA","Ingredient_formula": "C22H24O8","Ingredient_Smile": "COC1=CC(=CC(=C1O)OC)CC2COC(=O)C2CC3=CC4=C(C(=C3)OC)OCO4","Ingredient_weight": "416.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9948","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "3013841","DrugBank_id": "NA"}