Exact Mass: 416.1518184
Exact Mass Matches: 416.1518184
Found 500 metabolites which its exact mass value is equals to given mass value 416.1518184
,
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).
Phenylethyl primeveroside
Phenylethyl primeveroside is found in herbs and spices. Phenylethyl primeveroside is a constituent of Camellia sinensis (oolong tea), Jasminum sambac (Arabian Jasmine). Constituent of Camellia sinensis (oolong tea), Jasminum sambac (Arabian Jasmine). Phenylethyl primeveroside is found in tea and herbs and spices.
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.
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)
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].
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
2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
[3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate
2,3,6-Tri-Me ether,di-Ac-(S)-2,3,4,6,7-Pentahydroxyisoflavan
Phenylethyl O-alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranoside
(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
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
2-phenylethyl 6-O-alpha-L-arabinofuranosy-beta-D-glucopyranoside|2-phenylethyl 6-O-alpha-L-arabinofuranosyl-beta-D-glucopyranoside|2-phenylethyl O-alpha-L-arabinofuranosyl-(1?6)-beta-D-glucopyranoside
benzyl-O-alpha-L-rhamnopyranosyl (1->6)-beta-D-glucopyranoside
(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
2,3,4-trihydroxy-3-methylbutyl 3-[3-hydroxy-4-(2,3,4-trihydroxy-2-methylbutoxy)phenyl]-2-propenoate|evolvoid A
(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
Benzyl glycoside-4-O-beta-D-Galactopyranosyl-L-rhamnose
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
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.
2,6-dimethoxy-4-[(1E)-3,3-dimethoxy-1-propenyl]phenyl beta-D-glucopyranoside
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
benzyl-O-alpha-L-rhamnopyranosyl-(1?6)-?-D-glucopyranoside
9beta-hydroxy-8beta-(5-acetoxytiglinoyloxy)-2-oxo-lasiolaenin|9beta-hydroxy-8beta-<5-acetoxytiglinoyloxy>-2-oxo-lasiolaenin
icariside DC|phenylethyl 1-O-beta-D-apiofuranosyl-(1->4)-beta-D-glucopyranoside
3-hydroxy-2-{4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenoxy}propyl beta-D-glucopyranoside
(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
Benzyl glycoside-alpha-Pyranose-3-O-beta-D-Glucopyranosyl-L-rhamnose
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
Benzyl glycoside-alphaalpha-Pyranose-2-O-beta-D-Glucopyranosyl-L-rhamnose
(2S,3S)-2-(4-hydroxy-3,5-dimethoxybenzyl)-3-(5-methoxy-3,4-methylenedioxybenzyl)butyrolactone
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
C19H28O10_beta-D-Glucopyranoside, 2-phenylethyl 2-O-beta-D-xylopyranosyl
C19H28O10_2-Phenylethyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside
C19H28O10_beta-D-Glucopyranoside, 2-phenylethyl 6-O-beta-D-xylopyranosyl
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
C19H28O10_Pentonic acid, 4,5-dideoxy-3-C-methyl-, [4-(beta-D-glucopyranosyloxy)phenyl]methyl ester
C19H28O10_2-Phenylethyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside
C19H28O10_Benzyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4-diol
(2S,3R,4S,5R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]oxyoxane-3,4,5-triol
(2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2-phenylethoxy)oxane-3,4,5-triol
[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]
(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4-diol_major
(2S,3R,4S,5R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]oxyoxane-3,4,5-triol_major
(2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2-phenylethoxy)oxane-3,4,5-triol_major
[3-hydroxy-1-(4-methoxy-7-oxofuro[3,2-g]chromen-9-yl)oxy-3-methylbutan-2-yl] (E)-2-methylbut-2-enoate_major
(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4-diol_14.0\\%
(2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2-phenylethoxy)oxane-3,4,5-triol_64.2\\%
(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxane-3,4-diol_minor
Ala Cys His Ser
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Gly Cys His Thr
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3b,8b-Dihydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8-olide
4'-Methylliquiritigenin 7-rhamnoside
2-Phenylethyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-?-D-glucopyranoside
Benzyl 6-O-(6-deoxy-?-L-mannopyranosyl)-?-D-glucopyranoside
2-Phenylethyl 2-O-?-D-xylopyranosyl-?-D-glucopyranoside
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
Pyrinoline
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent
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
(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
benzene-1,3-dicarboxylic acid,2,2-dimethylpropane-1,3-diol,hexanedioic acid
methyl 3-((2-(N-hydroxycarbamimidoyl)biphenyl-4-yl)methyl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazole-4-carboxylate
1H-1,2,4-Triazole-1-propanamide, 3-((2,2-difluoro-1,3-benzodioxol-5-yl)amino)-N,N-dimethyl-5-(4-pyridinyl)-
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-(1-piperidinylsulfonyl)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-(7-piperidin-4-yloxyisoquinolin-6-yl)thiophen-2-yl]methyl]pyridin-3-amine
Benzyl alcohol beta-D-rutinoside
Benzyl alcohol beta-d-rutinoside is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Benzyl alcohol beta-d-rutinoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Benzyl alcohol beta-d-rutinoside can be found in common grape, which makes benzyl alcohol beta-d-rutinoside a potential biomarker for the consumption of this food product.
2-Phenylethyl beta-primeveroside
A 6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranoside in which the anomeric substituent is specified as 2-phenylethyl.
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.
Phenethyl 2-O-(beta-D-xylopyranosyl)-beta-D-glucopyranoside
2-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3H-isoindol-1-one
[(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
4-(beta-D-Glucopyranosyloxy)benzyl 4,5-dideoxy-3-C-methylpentonate
evolvoid A
A cinnamate ester obtained by the formal condensation of the carboxy group of trans-caffeic acid with 2-methylbutane-1,2,3-triol and in which the hydroxy group at position 4 is replaced by a 2,3,4-trihydroxy-2-methylbutyl]oxy group. Isolated from the whole plants of Evolvulus alsinoides, it exhibits characteristics of an Ayurvedic crude drug.
methyl 2-[3-[(E)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]indol-1-yl]acetate
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
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
(1R,9S,10S,11S)-10-(hydroxymethyl)-6-oxo-12-N-propyl-11-N-(2,2,2-trifluoroethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11,12-dicarboxamide
3-phenyl-6-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-1H-pyrimidine-2,4-dione
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
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
(1S,9R,10R,11R)-10-(hydroxymethyl)-6-oxo-12-N-propyl-11-N-(2,2,2-trifluoroethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11,12-dicarboxamide
WURCS=2.0/3,3,2/[hxh][a2122h-1a_1-5][a2112h-1a_1-5]/1-2-3/a3-b1_b2-c1
(2R,3R,4S,5S,6R)-2-[3-hydroxy-2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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
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-[2-[(E)-4-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]-3-oxocyclopenten-1-yl]acetic acid
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
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
(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
(2s,3r,4s,5s,6r)-2-{4-[(1e)-3,3-dimethoxyprop-1-en-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(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
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
5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)-2-(2-phenylethoxy)oxane-3,4-diol
(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
(2s,3s,4r,5r,6s)-4-(benzyloxy)-2-{[(3r,4r,5r,6s)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,5-diol
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
(2r,3s,4s,5r,6r)-2-({[(2r,3s,4s)-3,4-dihydroxy-4-methoxyoxolan-2-yl]oxy}methyl)-6-(2-phenylethoxy)oxane-3,4,5-triol
(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
2-phenylethyl β-primeveroside
{"Ingredient_id": "HBIN006317","Ingredient_name": "2-phenylethyl \u03b2-primeveroside","Alias": "NA","Ingredient_formula": "C19H28O10","Ingredient_Smile": "C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC=CC=C3)O)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34770","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","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"}
benzyl 6-o-α-l-rhamnopyranosyl-(1→6)β-d-glucopyranoside
{"Ingredient_id": "HBIN017841","Ingredient_name": "benzyl 6-o-\u03b1-l-rhamnopyranosyl-(1\u21926)\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C19H28O10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2296","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}