Exact Mass: 468.090387
Exact Mass Matches: 468.090387
Found 297 metabolites which its exact mass value is equals to given mass value 468.090387,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cromoglicic acid
Cromoglicic acid is only found in individuals that have used or taken this drug. It is a chromone complex that acts by inhibiting the release of chemical mediators from sensitized mast cells. It is used in the prophylactic treatment of both allergic and exercise-induced asthma, but does not affect an established asthmatic attack. [PubChem]Cromoglicate inhibits degranulation of mast cells, subsequently preventing the release of histamine and slow-reacting substance of anaphylaxis (SRS-A), mediators of type I allergic reactions. Cromoglicate also may reduce the release of inflammatory leukotrienes. Cromoglicate may act by inhibiting calcium influx. A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07E - Intestinal antiinflammatory agents > A07EB - Antiallergic agents, excl. corticosteroids R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03B - Other drugs for obstructive airway diseases, inhalants > R03BC - Antiallergic agents, excl. corticosteroids R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AC - Antiallergic agents, excl. corticosteroids D - Dermatologicals > D11 - Other dermatological preparations > D11A - Other dermatological preparations > D11AH - Agents for dermatitis, excluding corticosteroids C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C29714 - Mast Cell Stabilizer S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics D000893 - Anti-Inflammatory Agents > D000082142 - Mast Cell Stabilizers D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents D018926 - Anti-Allergic Agents D007155 - Immunologic Factors
Neocretanin
Neocretanin is found in nuts. Neocretanin is isolated from Japanese chestnut galls (Castanea crenata). Isolated from Japanese chestnut galls (Castanea crenata). Neocretanin is found in nuts.
Castamollissin
Castamollissin is found in nuts. Castamollissin is isolated from the leaves of Castanea mollissima (Chinese chestnut). Isolated from the leaves of Castanea mollissima (Chinese chestnut). Castamollissin is found in nuts.
Apocynin A
5-[(2R)-3-(2-Carboxy-4-oxochromen-6-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid
simfibrate
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AB - Fibrates
Epigallocatechin 3-caffeate
Epigallocatechin 3-caffeate is a member of the class of compounds known as epigallocatechins. Epigallocatechins are compounds containing epigallocatechin or a derivative. Epigallocatechin is a flavan-3-ol containing a benzopyran-3,5,7-triol linked to a 3,4,5-hydroxyphenyl moiety. Thus, epigallocatechin 3-caffeate is considered to be a flavonoid lipid molecule. Epigallocatechin 3-caffeate is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Epigallocatechin 3-caffeate can be found in tea, which makes epigallocatechin 3-caffeate a potential biomarker for the consumption of this food product.
Apocynin A
Catechin-4-ol 3-O-beta-D-galactopyranoside
Leucodelphinidin 3-O-alpha-L-rhamnopyranoside
Apocynin C
Gyrophoric acid
Origin: Microbe, Carboxylic acids
(2-methoxy-5-hydroxymethyl-phenyl)-1-O-beta-D-(6-O-galloyl)-glucopyranoside|2-methoxy-5-hydroxymethyl-phenyl-1-O-(6-galloyl)-beta-D-glucopyranoside|2-Methoxy-5-hydroxymethyl-phenyl-1-O-(6-galloyl)-??-D-glucopyranoside
3-carboxy-6,7-dihydroxy-1-(3,4-dihydroxyphenyl)-naphthalene-9,5-O-shikimic acid ester
5-O-(6-O-galloyl)-beta-D-glucopyranosylgentisic acid|Gentisic acid 5-O-beta-D-(6-O-galloyl)glucopyranoside
1,2,3,4-Tetrahydro-4,6,9-trihydroxy-2,3-epoxy-1,2-biphenazine-4-carboxylic acid
(4-Methoxycarbonylphenyl-2,3,4-tri-O-acetyl-beta-D-glucopyranosid)-uronsaeure-methylester|<4-Methoxycarbonylphenyl-2,3,4-tri-O-acetyl-beta-D-glucopyranosid>-uronsaeure-methylester|Methyl-<4-methoxy-carbonyl-phenyl-2,3,4-tri-O-acetyl-beta-D-glucopyranosid>-uronat
7-O-alpha-L-rhamnosyl-8-[2-oxo-2H-1-benzopyran-7-(hydroxy)-6-yl]-2H-1-benzopyran-2-one|7-O-alpha-L-rhamnosyl-8-[2-oxo-2H-1-benzopyran-7-(hydroxy)-6-yl]-2H-1-benzopyran-2-one|daphjamilin
4,5-Di-O-galloyl (+)-protoquercitol|4,5-di-O-galloyl proto-quercitol|4,5-di-O-galloyl-proto-quercitol|4,5-di-O-galloylprotoquercitol
3,4-dihydroxyphenethyl alcohol 4-O-beta-D-(6-O-galloyl)-glucopyranoside|3,4-dihydroxyphenethyl alcohol 4-O-beta-D-(6-O-galloyl)glucopyranoside|4-O-(6-O-Galloyl-beta-D-glucopyranoside)-2-(3,4-Dihydroxyphenyl)ethanol|4-O-(6-O-Gulloyl-??-D-glucopuranoside)-2-(3,4-Dihydroxyphenyl)ethanol
3-Hydroxy,6-O-(3,4,5-trihydroxybenzoyl)-Salidroside|6-O-(3,4,5-Trihydroxybenzoyl)-2-(3,4-Dihydroxyphenyl)ethyl beta-D-glucopy-ranoside
2-[4-(toluene-4-sulfonylamino)-anilino]-naphthalene-1-sulfonic acid|2-[4-(Toluol-4-sulfonylamino)-anilino]-naphthalin-1-sulfonsaeure
(4S,8R,9S)-4-(3,4-dihydroxyphenyl)-8-(3,4,5-trihydroxyphenyl)-3,4,9,10-tetrahydro-5,9-dihydroxy-2H,8H-benzo[1,2-b:3,4-b]dipyran-2-one|sclerophynin A
1-(3,4-dihydroxyphenyl)-6-(syringoyl)-beta-D-glucopyranose|dunnianoside G
beta,2,3,4,4,6-hexahydroxy-alpha-(alpha-L-rhamnopyranosyl)dihydrochalcone
Pelargonidin 3-Galactoside
Pelargonidin 3-galactoside is an anthocyanidin glycoside.
Callistephin
Pelargonidin 3-O-beta-D-glucoside chloride is a member of the class of anthocyanin chlorides that has pelargonidin 3-O-beta-D-glucoside as the cationic counterpart. It contains a pelargonidin 3-O-beta-D-glucoside. Callistephin (Pelargonidin 3-O-glucoside) chloride is an anthocyanin that can be found in strawberries and chokeberries[1]. Callistephin (Pelargonidin 3-O-glucoside) chloride is an anthocyanin that can be found in strawberries and chokeberries[1].
cromolyn
A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07E - Intestinal antiinflammatory agents > A07EB - Antiallergic agents, excl. corticosteroids R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03B - Other drugs for obstructive airway diseases, inhalants > R03BC - Antiallergic agents, excl. corticosteroids R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AC - Antiallergic agents, excl. corticosteroids D - Dermatologicals > D11 - Other dermatological preparations > D11A - Other dermatological preparations > D11AH - Agents for dermatitis, excluding corticosteroids C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C29714 - Mast Cell Stabilizer S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics D000893 - Anti-Inflammatory Agents > D000082142 - Mast Cell Stabilizers D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents D018926 - Anti-Allergic Agents D007155 - Immunologic Factors
[(2R,3S,4S,5S)-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
ginnalin A
D007004 - Hypoglycemic Agents > D065089 - Glycoside Hydrolase Inhibitors D004791 - Enzyme Inhibitors
Cys Cys Asp Glu
C15H24N4O9S2 (468.09846539999995)
Cys Cys Glu Asp
C15H24N4O9S2 (468.09846539999995)
Cys Asp Cys Glu
C15H24N4O9S2 (468.09846539999995)
Cys Asp Glu Cys
C15H24N4O9S2 (468.09846539999995)
Cys Asp Met Thr
Cys Asp Thr Met
Cys Glu Cys Asp
C15H24N4O9S2 (468.09846539999995)
Cys Glu Asp Cys
C15H24N4O9S2 (468.09846539999995)
Cys Glu Met Ser
Cys Glu Ser Met
Cys Met Asp Thr
Cys Met Glu Ser
Cys Met Ser Glu
Cys Met Thr Asp
Cys Ser Glu Met
Cys Ser Met Glu
Cys Thr Asp Met
Cys Thr Met Asp
Asp Cys Cys Glu
C15H24N4O9S2 (468.09846539999995)
Asp Cys Glu Cys
C15H24N4O9S2 (468.09846539999995)
Asp Cys Met Thr
Asp Cys Thr Met
Asp Glu Cys Cys
C15H24N4O9S2 (468.09846539999995)
Asp Met Cys Thr
Asp Met Thr Cys
Asp Thr Cys Met
Asp Thr Met Cys
Glu Cys Cys Asp
C15H24N4O9S2 (468.09846539999995)
Glu Cys Asp Cys
C15H24N4O9S2 (468.09846539999995)
Glu Cys Met Ser
Glu Cys Ser Met
Glu Asp Cys Cys
C15H24N4O9S2 (468.09846539999995)
Glu Met Cys Ser
Glu Met Ser Cys
Glu Ser Cys Met
Glu Ser Met Cys
Met Cys Asp Thr
Met Cys Glu Ser
Met Cys Ser Glu
Met Cys Thr Asp
Met Asp Cys Thr
Met Asp Thr Cys
Met Glu Cys Ser
Met Glu Ser Cys
Met Ser Cys Glu
Met Ser Glu Cys
Met Thr Cys Asp
Met Thr Asp Cys
Ser Cys Glu Met
Ser Cys Met Glu
Ser Glu Cys Met
Ser Glu Met Cys
Ser Met Cys Glu
Ser Met Glu Cys
Thr Cys Asp Met
Thr Cys Met Asp
Thr Asp Cys Met
Thr Asp Met Cys
Thr Met Cys Asp
Thr Met Asp Cys
Thiazolium
HoPhe-Phe4Cl-OH
C24H21ClN2O6 (468.10880760000003)
Phe4Cl-HoPhe-OH
C24H21ClN2O6 (468.10880760000003)
Lactococcin
Castamollissin
Neocretanin
1H,1H,2H,2H-PERFLUOROOCTYLTRIMETHOXYSILANE
C11H13F13O3Si (468.04263439999994)
6-iodo-N-(3-Methyl-4-((6-Methylpyridin-3-yl)oxy)phenyl)quinazolin-4-amine
C21H17IN4O (468.04470619999995)
ETHYLENE GLYCOL-BIS(BETA-AMINOETHYL ETHER)-N,N,N,N-TETRAACETIC ACID TETRASODIUM SALT
Bis(1,3-dithian-2-ylmethyl) 1,6-hexanediylbiscarbamate
C18H32N2O4S4 (468.12448320000004)
Benzenesulfonic acid,2-[(2,7-dihydro-3-methyl-2,7-dioxo-3H-naphtho[1,2,3-de]quinolin-6-yl)amino]-5-methyl-,sodium salt (1:1)
C24H17N2NaO5S (468.07558320000004)
Bis(1,5-cyclooctadiene)rhodiuM(I) trifluoroMethanesulfonate
2,4,6-trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,2,4,6-trioxatrisilinane
C12H21F9O3Si3 (468.06547439999997)
2,2-[[2,2-bis(chloromethyl)propane-1,3-diyl]bis(oxy)]bis[5,5-dimethyl-1,3,2-dioxaphosphorinane] 2,2-dioxide
4-Nitrophenyl2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-a-D-glucopyranoside
[(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-(4-nitrophenoxy)oxan-2-yl]methyl acetate
adamexine
C20H26Br2N2O (468.04117460000003)
C78273 - Agent Affecting Respiratory System > C74536 - Mucolytic Agent
(2S,5R,6R)-6-({[1-(2,6-Dichlorophenyl)-4-methyl-1H-pyrazol-5-yl]c arbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hepta ne-2-carboxylic acid
C19H18Cl2N4O4S (468.04257680000006)
4-[4-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-2-pyridinecarboxamide
C20H13ClF4N4O3 (468.06122660000005)
Ferrocene,1,1-(1-methylethylidene)bis[ethyl-
C27H32Fe2 (468.12026519999995)
2-Nitrophenyl2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-a-D-glucopyranoside
Poly[trifluoropropyl(methyl)siloxane]
C12H21F9O3Si3 (468.06547439999997)
(2R)-2-Deoxy-2-fluoro-2-methyluridine 3,5-dibenzoate
3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methyl-1-benzothiophene
3-Pyridinesulfonamide, 5-(5-phenyl-4-((2-pyridinylmethyl)amino)-2-quinazolinyl)-
Fosmanogepix
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C254 - Anti-Infective Agent > C514 - Antifungal Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Parsaclisib hydrochloride
C20H23Cl2FN6O2 (468.12434899999994)
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
1,4-Bis[(4-methoxy-2-methylphenyl)sulfonyl]-1,4-diazepane
N-({6-[(4-Cyanobenzyl)oxy]naphthalen-2-YL}sulfonyl)-D-glutamic acid
C23H20N2O7S (468.09911700000004)
simfibrate
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AB - Fibrates
Callistephin chloride
Pelargonidin 3-galactoside is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Pelargonidin 3-galactoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pelargonidin 3-galactoside can be found in a number of food items such as fruits, gooseberry, vaccinium (blueberry, cranberry, huckleberry), and black chokeberry, which makes pelargonidin 3-galactoside a potential biomarker for the consumption of these food products. Callistephin (Pelargonidin 3-O-glucoside) chloride is an anthocyanin that can be found in strawberries and chokeberries[1]. Callistephin (Pelargonidin 3-O-glucoside) chloride is an anthocyanin that can be found in strawberries and chokeberries[1].
5-[(2R)-3-(2-Carboxy-4-oxochromen-6-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid
[3-[[2-(Carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury
C13H16HgNO5 (468.07347460000005)
(2S)-2-[[2-[2-oxo-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3H-indol-3-yl]acetyl]amino]butanedioic acid
4-(Trifluoromethyl)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
C24H15F3N2O3S (468.07554360000006)
N-(5-bromo-2-methoxybenzylidene)-5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-2-furohydrazide
C23H21BrN2O4 (468.06846060000004)
3-chloro-N-[3-[[(3-chloro-4-nitrophenyl)-oxomethyl]amino]-2,2-dimethylpropyl]-4-nitrobenzamide
3-[(2-chlorophenyl)methyl]-5-[1-(1-oxo-2-thiophen-2-ylethyl)-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one
3-(Trifluoromethyl)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
C24H15F3N2O3S (468.07554360000006)
2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester
1-[(7-Chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-3-(3-fluoro-4-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione
C22H14ClFN4O3S (468.04591360000006)
(E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(2-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
(2Z)-2-[3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-4-oxo-1,3-benzothiazin-2-ylidene]acetonitrile
1-{3-[3-(2-Chloro-benzyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-piperidin-1-yl}-2-thiophen-2-yl-ethanone
2-[[(6-ethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester
2-[[3-[2-(dimethylamino)ethyl]-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl]thio]-N-(3-methoxyphenyl)acetamide
1-(6-Methylpyridin-2-yl)-5-(3-phenoxyphenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione
C27H20N2O4S (468.11437200000006)
(1R,2R,5S,6S,7S)-2-(Benzylcarbamoyl)-3-[3-chloro-2-(hydroxymethyl)phenyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
C24H21ClN2O6 (468.10880760000003)
2,2,5,5,7,7,10,10,12,12,15,15-Dodecamethyl-1,6,11-trioxa-2,5,7,10,12,15-hexasila-3,8,13-cyclopentadecatriyne
C18H36O3Si6 (468.12799860000007)
2-[3-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-4-oxo-1,3-benzothiazin-2-ylidene]acetonitrile
Lp-PLA2-IN-1
C21H17F5N4O3 (468.1220751999999)
Lp-PLA2-IN-1 is a potent Lipoprotein-associated phospholipase A2 (Lp-PLA2) inhibitor. Lp-PLA2-IN-1 has the potential for atherosclerosis, Alzheimer's disease research[1].
Ulixertinib (hydrochloride)
Ulixertinib hydrochloride (BVD-523 hydrochloride) is a potent, orally active, highly selective, ATP-competitive and reversible covalent inhibitor of ERK1/2 kinases, with an IC50 of <0.3 nM against ERK2. Ulixertinib hydrochloride inhibits the phosphorylated ERK2 (pERK) and downstream kinase RSK (pRSK) in an A375 melanoma cell line[1][2].
2-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl]oxy}benzoic acid
(4r,5r,14r)-14-(3,4-dihydroxyphenyl)-5,8-dihydroxy-4-(3,4,5-trihydroxyphenyl)-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-12-one
[(2r,3s,4s,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
(1's,2r,5's,6'r,12's)-7,12',14-trihydroxy-5'-methoxy-3,4',8',10-tetraoxaspiro[tetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadecane-2,3'-tricyclo[4.3.3.0¹,⁶]dodecane]-1(14),4,6,8(16),11(15),12-hexaene-9,9'-dione
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-hydroxy-5-(2-hydroxyethyl)phenoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
{6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3,4,5-trihydroxybenzoate
2,3,6-trihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate
(2z,4r,7s,8r,9r,11s)-7-(chloromethyl)-7-hydroxy-2,11-dimethyl-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl (2e)-4-(acetyloxy)-2-methylbut-2-enoate
5-(chloromethyl)-5'-(furan-3-yl)-3,5-dihydroxy-2-methyl-2',4,6-trioxo-tetrahydro-2h-spiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate
(2r,3r,4s,5s)-3-hydroxy-2-(hydroxymethyl)-5-(3,4,5-trihydroxybenzoyloxy)oxan-4-yl 3,4,5-trihydroxybenzoate
7-hydroxy-7'-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-[6,8'-bichromene]-2,2'-dione
(2r,3r)-7,9-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one
3-carboxy-6,7-dihydroxy-1-(3',4'-dihydroxy-phenyl)-naphthalene-9,5''-o-shikimicacidester
{"Ingredient_id": "HBIN008378","Ingredient_name": "3-carboxy-6,7-dihydroxy-1-(3',4'-dihydroxy-phenyl)-naphthalene-9,5''-o-shikimicacidester","Alias": "NA","Ingredient_formula": "C24H20O10","Ingredient_Smile": "C1C(C(C(C=C1C(=O)O)O)O)OC(=O)C2=CC(=C3C=C(C(=CC3=C2)O)O)C4=CC(=C(C=C4)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3168","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
aceritannin
{"Ingredient_id": "HBIN014374","Ingredient_name": "aceritannin","Alias": "NA","Ingredient_formula": "C20H20O13","Ingredient_Smile": "C1C(C(C(C(O1)COC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "95","TCMSP_id": "NA","TCM_ID_id": "7238;24378","PubChem_id": "NA","DrugBank_id": "NA"}
[(2r,3s,4s,5r,6r)-6-{[(3as,6r,7ar)-2-oxo-3a,6,7,7a-tetrahydro-3h-1-benzofuran-6-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
(1r,2r,3s,4s,5r)-2,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate
{3,4,5-trihydroxy-6-[2-hydroxy-4-(2-hydroxyethyl)phenoxy]oxan-2-yl}methyl 3,4,5-trihydroxybenzoate
(1r,17r,29r)-11,21,29-trihydroxy-16-oxa-6,13,19,26-tetraazaheptacyclo[15.11.1.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0¹⁸,²⁷.0²⁰,²⁵]nonacosa-2(15),3,5,7,9,11,13,18,20,22,24,26-dodecaene-8-carboxylic acid
7-hydroxy-7'-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-[8,8'-bichromene]-2,2'-dione
{3,4,5-trihydroxy-6-[2-hydroxy-5-(2-hydroxyethyl)phenoxy]oxan-2-yl}methyl 3,4,5-trihydroxybenzoate
(6s,12r,13s)-6-(3,4-dihydroxyphenyl)-8,13-dihydroxy-12-(3,4,5-trihydroxyphenyl)-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-4-one
7,9-dihydroxy-15a-methyl-8,13,14-trioxo-15h-anthra[2,1-a]phenoxazine-3-carboximidic acid
9,17,21-trihydroxy-16-oxa-4,11,19,26-tetraazaheptacyclo[15.11.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-2,4,6,8,10,12,14,18,20,22,24,26-dodecaene-13-carboxylic acid
2,3,6-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate
7-(chloromethyl)-7-hydroxy-2,11-dimethyl-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl 4-(acetyloxy)-2-methylbut-2-enoate
{3,4,5-trihydroxy-6-[(2-oxo-5,6,7,7a-tetrahydro-4h-1-benzofuran-6-yl)oxy]oxan-2-yl}methyl 3,4,5-trihydroxybenzoate
(8r,9s)-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.0²,⁷.0¹⁴,¹⁷]heptadeca-1(16),2,4,6,10(17),11,13-heptaene-4,6,9,12-tetrol
2,6',9-trihydroxy-4'-oxo-2',3'-dihydro-1'h-[1,2'-biphenazine]-4-carboxylic acid
7-hydroxy-7'-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-[8,8'-bichromene]-2,2'-dione
(1s,2r,3r,4r)-2-(acetyloxy)-5-cyano-1,3,7-trihydroxy-3-methyl-6,11-dioxo-1h,2h,4h-benzo[b]carbazol-4-yl propanoate
C23H20N2O9 (468.11687500000005)
(2r,3r,4r,5s)-3,5-dihydroxy-2-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-4-yl 3,4,5-trihydroxybenzoate
(1r,17r)-9,17,21-trihydroxy-16-oxa-4,11,19,26-tetraazaheptacyclo[15.11.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-2,4,6,8,10,12,14,18,20,22,24,26-dodecaene-13-carboxylic acid
14-(3,4-dihydroxyphenyl)-5,8-dihydroxy-4-(3,4,5-trihydroxyphenyl)-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-12-one
5-[4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carbonyloxy]-3,4-dihydroxycyclohex-1-ene-1-carboxylic acid
5-[(2s,3s)-4-hydroxy-6-(6-hydroxy-1-benzofuran-2-yl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
4,5-dihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxybenzoate
4-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[(1e)-2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-2-yl]benzene-1,3-diol
4-[2,3-bis(acetyloxy)-3',4',5,6-tetrahydroxy-[1,1'-biphenyl]-4-yl]phenyl acetate
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[5-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
(1s,17s,29r)-29-hydroxy-6,21-dioxo-16-oxa-4,11,19,26-tetraazaheptacyclo[15.11.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-2,4,7,9,12,14,18(27),19,22,24-decaene-13-carboxylic acid
8-hydroxy-7-methyl-6-oxo-3-(prop-1-en-1-yl)-8,8a-dihydro-1h-isochromen-7-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate
2-hydroxy-5-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl}oxy)benzoic acid
7,12',14-trihydroxy-5'-methoxy-3,4',8',10-tetraoxaspiro[tetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadecane-2,3'-tricyclo[4.3.3.0¹,⁶]dodecane]-1(14),4,6,8(16),11(15),12-hexaene-9,9'-dione
(6r,12r,13s)-6-(3,4-dihydroxyphenyl)-8,13-dihydroxy-12-(3,4,5-trihydroxyphenyl)-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-4-one
[(2r,3r,4s,5r,6r)-6-{[(6s,7as)-2-oxo-5,6,7,7a-tetrahydro-4h-1-benzofuran-6-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
7-hydroxy-7'-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-[8,8'-bichromene]-2,2'-dione
(2r,3s,4r,5s)-4-hydroxy-2-(hydroxymethyl)-5-(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 3,4,5-trihydroxybenzoate
16-chloro-4,10-dihydroxy-6,15-dimethoxy-6,17-dimethyl-7-oxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-1(21),3,5(9),10,13,15,17,19-octaene-2,8,12-trione
5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate
(1r,8r,16r)-4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.0²,⁷.0¹⁴,¹⁷]heptadeca-2,4,6,10,12,14(17)-hexaen-9-one
5-[4-hydroxy-6-(6-hydroxy-1-benzofuran-2-yl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
3-(3,4-dihydroxyphenyl)-3-hydroxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1-(2,4,6-trihydroxyphenyl)propan-1-one
[(2r,3s,4s,5r,6r)-6-{[(6s,7as)-2-oxo-5,6,7,7a-tetrahydro-4h-1-benzofuran-6-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
(1r,2s,3r,4s,6r)-2,3,4-trihydroxy-6-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate
2-(acetyloxy)-5-cyano-1,3,7-trihydroxy-3-methyl-6,11-dioxo-1h,2h,4h-benzo[b]carbazol-4-yl propanoate
C23H20N2O9 (468.11687500000005)
(8s,9r)-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.0²,⁷.0¹⁴,¹⁷]heptadeca-1(16),2,4,6,10(17),11,13-heptaene-4,6,9,12-tetrol
(1s,2s,3r,5s,6s)-2,3,6-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate
7-hydroxy-7'-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-[8,8'-bichromene]-2,2'-dione
(1r,2s,3s,4r,6r)-2,3,4-trihydroxy-6-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate
(8r,9r)-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.0²,⁷.0¹⁴,¹⁷]heptadeca-1(16),2,4,6,10(17),11,13-heptaene-4,6,9,12-tetrol
[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-[2-hydroxy-4-(2-hydroxyethyl)phenoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
(3s,4s,5s,6r)-4,5-dihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxybenzoate
(1r,2s,3r,4as,5s,5's,8as)-5-(chloromethyl)-5'-(furan-3-yl)-3,5-dihydroxy-2-methyl-2',4,6-trioxo-tetrahydro-2h-spiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate
(4r,5r,14s)-14-(3,4-dihydroxyphenyl)-5,8-dihydroxy-4-(3,4,5-trihydroxyphenyl)-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-12-one
6,18,22-trihydroxy-16-oxa-4,11,20,27-tetraazaheptacyclo[15.12.0.0²,¹⁵.0³,¹².0⁵,¹⁰.0¹⁹,²⁸.0²¹,²⁶]nonacosa-2,4,6,8,10,12,14,19,21,23,25,27-dodecaene-13-carboxylic acid
(1r,2s,3r,4s)-3-(acetyloxy)-11-(diazyn-1-ium-1-yl)-2,4,10-trihydroxy-2-methyl-5-oxo-1-(propanoyloxy)-1h,3h,4h-benzo[b]fluoren-9-olate
C23H20N2O9 (468.11687500000005)
(3r,4r,5r)-5-[4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carbonyloxy]-3,4-dihydroxycyclohex-1-ene-1-carboxylic acid
(3s,3'r,3ar,6s,6ar)-6-hydroxy-3'-(4-hydroxyphenyl)-3a-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-dihydro-5h-spiro[furo[3,2-b]furan-3,2'-oxolane]-2,5'-dione
7,9-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one
6-hydroxy-3'-(4-hydroxyphenyl)-3a-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-dihydro-5h-spiro[furo[3,2-b]furan-3,2'-oxolane]-2,5'-dione
5-{[2-imino-5-(4-methoxyphenyl)-3-methyl-1h-imidazol-4-yl]disulfanyl}-4-(4-methoxyphenyl)-1-methyl-3h-imidazol-2-imine
C22H24N6O2S2 (468.14020839999995)
(3s,4s,5s,6r,7r)-3,7-bis(3,4-dihydroxyphenyl)-6,11-dihydroxy-2,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),9(13),10-triene-4-carboxylic acid
6-{[3,5-dihydroxy-2-(2,5,7-trihydroxy-2-methyl-4-oxo-1,3-dihydronaphthalene-1-carbonyl)phenyl]methyl}-4-hydroxypyran-2-one
(7r,8s,8as)-8-hydroxy-7-methyl-6-oxo-3-[(1e)-prop-1-en-1-yl]-8,8a-dihydro-1h-isochromen-7-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate
6-({3,5-dihydroxy-2-[(1s,2r)-2,5,7-trihydroxy-2-methyl-4-oxo-1,3-dihydronaphthalene-1-carbonyl]phenyl}methyl)-4-hydroxypyran-2-one
3,5-dihydroxy-2-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-4-yl 3,4,5-trihydroxybenzoate
(1r,2r,3r,4s)-3-(acetyloxy)-2,4,9-trihydroxy-2-methyl-5,10-dioxo-11-(λ⁵-diazynylidene)-1h,3h,4h-benzo[b]fluoren-1-yl propanoate
C23H20N2O9 (468.11687500000005)
(2s,3r)-3-(3,4-dihydroxyphenyl)-3-hydroxy-2-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1-(2,4,6-trihydroxyphenyl)propan-1-one
(4r,5s,14r)-14-(3,4-dihydroxyphenyl)-5,8-dihydroxy-4-(3,4,5-trihydroxyphenyl)-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),8-trien-12-one
8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.0²,⁷.0¹⁴,¹⁷]heptadeca-1(16),2,4,6,10(17),11,13-heptaene-4,6,9,12-tetrol
4,6,12-trihydroxy-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.0²,⁷.0¹⁴,¹⁷]heptadeca-2,4,6,10,12,14(17)-hexaen-9-one
6-(3,4-dihydroxyphenyl)-8,13-dihydroxy-12-(3,4,5-trihydroxyphenyl)-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-4-one
(1s,17s,29r)-29-hydroxy-9,24-dioxo-16-oxa-4,11,19,26-tetraazaheptacyclo[15.11.1.0²,¹⁵.0³,¹².0⁵,¹⁰.0¹⁸,²⁷.0²⁰,²⁵]nonacosa-2,5,7,10,12,14,18(27),20,22,25-decaene-13-carboxylic acid
3-(acetyloxy)-2,4,9-trihydroxy-2-methyl-5,10-dioxo-11-(λ⁵-diazynylidene)-1h,3h,4h-benzo[b]fluoren-1-yl propanoate
C23H20N2O9 (468.11687500000005)