Exact Mass: 468.0823

Exact Mass Matches: 468.0823

Found 242 metabolites which its exact mass value is equals to given mass value 468.0823, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Cromoglicic acid

5-{3-[(2-carboxy-4-oxo-4H-chromen-5-yl)oxy]-2-hydroxypropoxy}-4-oxo-4H-chromene-2-carboxylic acid

C23H16O11 (468.0693)


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

[6-(4-Formyl-2,6-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoic acid

C20H20O13 (468.0904)


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

[6-(5-Formyl-2,3-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoic acid

C20H20O13 (468.0904)


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

14-(3,4-dihydroxyphenyl)-5,8-dihydroxy-4-(3,4,5-trihydroxyphenyl)-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1,7,9-trien-12-one

C24H20O10 (468.1056)


   

Primisulfuron-methyl

methyl 2-[({[4,6-bis(difluoromethoxy)pyrimidin-2-yl]carbamoyl}amino)sulfonyl]benzoate

C15H12F4N4O7S (468.0363)


   

5-[(2R)-3-(2-Carboxy-4-oxochromen-6-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid

5-{3-[(2-carboxy-4-oxo-4H-chromen-6-yl)oxy]-2-hydroxypropoxy}-4-oxo-4H-chromene-2-carboxylic acid

C23H16O11 (468.0693)


   

simfibrate

3-[2-(4-Chlorophenoxy)-2-methylpropanoyl]oxypropyl 2-(4-chlorophenoxy)-2-methylpropanoic acid

C23H26Cl2O6 (468.1106)


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

(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

C24H20O10 (468.1056)


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.

   

Pauciflorol E

Pauciflorol E

C28H20O7 (468.1209)


   

Edgeworoside C

Edgeworoside C

C24H20O10 (468.1056)


   

Glochidionolactone D

(+)-Glochidionolactone D

C21H24O12 (468.1268)


   

Glochidionolactone F

(+)-Glochidionolactone F

C21H24O12 (468.1268)


   

Apocynin A

(2R,3S,10S) -10- (3,4-Dihydroxyphenyl) -3,4,9,10-tetrahydro-3,5-dihydroxy-2- (3,4,5-trihydroxyphenyl) -2H,8H-benzo [ 1,2-b:3,4-b ] dipyran-8-one

C24H20O10 (468.1056)


   

Malibatol A

Malibatol A

C28H20O7 (468.1209)


   

Gnetuhainin B

Gnetuhainin B

C28H20O7 (468.1209)


   
   

Catechin-4-ol 3-O-beta-D-galactopyranoside

3,4,5,7,3,4-Hexahydroxyflavan 3-O-beta-D-galactopyranoside

C21H24O12 (468.1268)


   

Leucodelphinidin 3-O-alpha-L-rhamnopyranoside

3,4,5,7,3,4,5-Heptahydroxyflavan 3-O-alpha-L-rhamnopyranoside

C21H24O12 (468.1268)


   
   

Apocynin C

(2R,3R,10S)-10-(3,4-Dihydroxyphenyl)-3,4,9,10-tetrahydro-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H,8H-benzo[1,2-b:3,4-b]dipyran-8-one

C24H20O10 (468.1056)


   

Catechin-4-ol 3-O-beta-D-glycopyranoside

Catechin-4-ol 3-O-beta-D-glycopyranoside

C21H24O12 (468.1268)


   

Epigallocatechin 3-O-caffeate

(2R,3R) -3,5,7,3,4,5-Hexahydroxyflavan 3-O-caffeate

C24H20O10 (468.1056)


   
   
   

SCHEMBL14339419

SCHEMBL14339419

C20H20O13 (468.0904)


   

Pelargonidin-3-glucoside(callistephin)

Pelargonidin-3-glucoside(callistephin)

C21H21ClO10 (468.0823)


   

Peonidin-3-O-arabinoside

Peonidin-3-O-arabinoside

C21H21ClO10 (468.0823)


   

2-(a-Hydroxyethyl)thiamine diphosphate

2-(a-Hydroxyethyl)thiamine diphosphate

C14H22N4O8P2S (468.0634)


   

Gyrophoric acid

4-[4-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-6-methylbenzoyl]oxy-2-hydroxy-6-methylbenzoic acid

C24H20O10 (468.1056)


Origin: Microbe, Carboxylic acids

   

3,5-Di-O-galloyl protoquercitol

3,5-Di-O-galloyl protoquercitol

C20H20O13 (468.0904)


   

(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

(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

C21H24O12 (468.1268)


   

SCHEMBL15394739

SCHEMBL15394739

C20H20O13 (468.0904)


   
   

SCHEMBL17867049

SCHEMBL17867049

C24H20O10 (468.1056)


   

3-carboxy-6,7-dihydroxy-1-(3,4-dihydroxyphenyl)-naphthalene-9,5-O-shikimic acid ester

3-carboxy-6,7-dihydroxy-1-(3,4-dihydroxyphenyl)-naphthalene-9,5-O-shikimic acid ester

C24H20O10 (468.1056)


   
   

5-O-(6-O-galloyl)-beta-D-glucopyranosylgentisic acid|Gentisic acid 5-O-beta-D-(6-O-galloyl)glucopyranoside

5-O-(6-O-galloyl)-beta-D-glucopyranosylgentisic acid|Gentisic acid 5-O-beta-D-(6-O-galloyl)glucopyranoside

C20H20O13 (468.0904)


   

1,2,3,4-Tetrahydro-4,6,9-trihydroxy-2,3-epoxy-1,2-biphenazine-4-carboxylic acid

1,2,3,4-Tetrahydro-4,6,9-trihydroxy-2,3-epoxy-1,2-biphenazine-4-carboxylic acid

C25H16N4O6 (468.107)


   
   

(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

(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

C21H24O12 (468.1268)


   

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

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

C24H20O10 (468.1056)


   

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

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

C20H20O13 (468.0904)


   

dichotomain B

dichotomain B

C21H24O12 (468.1268)


   
   

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

3,4-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

C21H24O12 (468.1268)


   

Gyrophorsaeure

Gyrophorsaeure

C24H20O10 (468.1056)


   

3-Hydroxy,6-O-(3,4,5-trihydroxybenzoyl)-Salidroside|6-O-(3,4,5-Trihydroxybenzoyl)-2-(3,4-Dihydroxyphenyl)ethyl beta-D-glucopy-ranoside

3-Hydroxy,6-O-(3,4,5-trihydroxybenzoyl)-Salidroside|6-O-(3,4,5-Trihydroxybenzoyl)-2-(3,4-Dihydroxyphenyl)ethyl beta-D-glucopy-ranoside

C21H24O12 (468.1268)


   

2,3,4-triacetoxy-3,4,5,6-tetrahydroxy-p-terphenyl

2,3,4-triacetoxy-3,4,5,6-tetrahydroxy-p-terphenyl

C24H20O10 (468.1056)


   

2-[4-(toluene-4-sulfonylamino)-anilino]-naphthalene-1-sulfonic acid|2-[4-(Toluol-4-sulfonylamino)-anilino]-naphthalin-1-sulfonsaeure

2-[4-(toluene-4-sulfonylamino)-anilino]-naphthalene-1-sulfonic acid|2-[4-(Toluol-4-sulfonylamino)-anilino]-naphthalin-1-sulfonsaeure

C23H20N2O5S2 (468.0814)


   

Myricetin-3-L-arabinosid (-A)

Myricetin-3-L-arabinosid (-A)

C20H20O13 (468.0904)


   

(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

(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

C24H20O10 (468.1056)


   
   

SCHEMBL4545335

SCHEMBL4545335

C20H20O13 (468.0904)


   

SCHEMBL15394730

SCHEMBL15394730

C20H20O13 (468.0904)


   

1-(3,4-dihydroxyphenyl)-6-(syringoyl)-beta-D-glucopyranose|dunnianoside G

1-(3,4-dihydroxyphenyl)-6-(syringoyl)-beta-D-glucopyranose|dunnianoside G

C21H24O12 (468.1268)


   
   

Swerpunilactone A

Swerpunilactone A

C24H20O10 (468.1056)


   

Murayaanthraquinone

Murayaanthraquinone

C26H16N2O7 (468.0957)


   

1,4-di-O-galloyl proto-quercitol

1,4-di-O-galloyl proto-quercitol

C20H20O13 (468.0904)


   

Sanguisobic acid dilactone

Sanguisobic acid dilactone

C22H12O12 (468.0329)


   

(-)-epigallocatechin 3-O-caffeoate

(-)-epigallocatechin 3-O-caffeoate

C24H20O10 (468.1056)


   

beta,2,3,4,4,6-hexahydroxy-alpha-(alpha-L-rhamnopyranosyl)dihydrochalcone

beta,2,3,4,4,6-hexahydroxy-alpha-(alpha-L-rhamnopyranosyl)dihydrochalcone

C21H24O12 (468.1268)


   
   
   

izumiphenazine B

izumiphenazine B

C25H16N4O6 (468.107)


A natural product found in Streptomyces species.

   

Grape seed extract

Grape seed extract

C30H12O6 (468.0634)


   

Pelargonidin 3-Galactoside

(2S,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride

C21H21ClO10 (468.0823)


Pelargonidin 3-galactoside is an anthocyanidin glycoside.

   

Callistephin

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)chromenylium chloride

C21H21ClO10 (468.0823)


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

Cromoglicic acid

C23H16O11 (468.0693)


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

NCGC00347845-02![(2R,3S,4S,5S)-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

ginnalin A

ginnalin A

C20H20O13 (468.0904)


D007004 - Hypoglycemic Agents > D065089 - Glycoside Hydrolase Inhibitors D004791 - Enzyme Inhibitors

   

Cys Cys Asp Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-carboxypropanamido]pentanedioic acid

C15H24N4O9S2 (468.0985)


   

Cys Cys Glu Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-carboxybutanamido]butanedioic acid

C15H24N4O9S2 (468.0985)


   

Cys Asp Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-3-sulfanylpropanamido]pentanedioic acid

C15H24N4O9S2 (468.0985)


   

Cys Asp Glu Cys

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C15H24N4O9S2 (468.0985)


   

Cys Glu Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carboxybutanamido]-3-sulfanylpropanamido]butanedioic acid

C15H24N4O9S2 (468.0985)


   

Cys Glu Asp Cys

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-2-carboxy-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C15H24N4O9S2 (468.0985)


   

Asp Cys Cys Glu

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]pentanedioic acid

C15H24N4O9S2 (468.0985)


   

Asp Cys Glu Cys

(4S)-4-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C15H24N4O9S2 (468.0985)


   

Asp Glu Cys Cys

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C15H24N4O9S2 (468.0985)


   

Glu Cys Cys Asp

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]butanedioic acid

C15H24N4O9S2 (468.0985)


   

Glu Cys Asp Cys

(4S)-4-amino-4-{[(1R)-1-{[(1S)-2-carboxy-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C15H24N4O9S2 (468.0985)


   

Glu Asp Cys Cys

(4S)-4-amino-4-{[(1S)-2-carboxy-1-{[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C15H24N4O9S2 (468.0985)


   

Thiazolium

3-[(4-amino-2-Methyl-5-pyrimidinyl)methyl]-2-(1-hydroxyethyl)-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)- P,p-dioxide

C14H22N4O8P2S (468.0634)


   

HoPhe-Phe4Cl-OH

(S)-3-(4-chlorophenyl)-2-(4-nitro-3-phenethoxybenzamido)propanoic acid

C24H21ClN2O6 (468.1088)


   

Phe4Cl-HoPhe-OH

(S)-2-(3-((4-chlorobenzyl)oxy)-4-nitrobenzamido)-5-phenylpentanoic acid

C24H21ClN2O6 (468.1088)


   

Lactococcin

methyl 2-(6,7-dimethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)-3-[(4-methoxy-2-nitrophenyl)carbamoyl]-3-oxopropanoate

C22H20N4O8 (468.1281)


   

Castamollissin

[6-(5-formyl-2,3-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

Neocretanin

[6-(4-formyl-2,6-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   
   

1H,1H,2H,2H-PERFLUOROOCTYLTRIMETHOXYSILANE

1H,1H,2H,2H-PERFLUOROOCTYLTRIMETHOXYSILANE

C11H13F13O3Si (468.0426)


   

6-iodo-N-(3-Methyl-4-((6-Methylpyridin-3-yl)oxy)phenyl)quinazolin-4-amine

6-iodo-N-(3-Methyl-4-((6-Methylpyridin-3-yl)oxy)phenyl)quinazolin-4-amine

C21H17IN4O (468.0447)


   

ETHYLENE GLYCOL-BIS(BETA-AMINOETHYL ETHER)-N,N,N,N-TETRAACETIC ACID TETRASODIUM SALT

ETHYLENE GLYCOL-BIS(BETA-AMINOETHYL ETHER)-N,N,N,N-TETRAACETIC ACID TETRASODIUM SALT

C14H20N2Na4O10 (468.0709)


   

Bis(1,3-dithian-2-ylmethyl) 1,6-hexanediylbiscarbamate

Bis(1,3-dithian-2-ylmethyl) 1,6-hexanediylbiscarbamate

C18H32N2O4S4 (468.1245)


   

EUROPIUM(III) ACETYLACETONATE HYDRATE

EUROPIUM(III) ACETYLACETONATE HYDRATE

C15H23EuO7 (468.0656)


   

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)

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 (468.0756)


   

(4-TERT-BUTYLPHENYL)DIPHENYLSULFONIUMTRIFLATE

(4-TERT-BUTYLPHENYL)DIPHENYLSULFONIUMTRIFLATE

C23H23F3O3S2 (468.1041)


   

URANYL ACETYLACETONATE

URANYL ACETYLACETONATE

C10H14O6U (468.1298)


   

Bis(1,5-cyclooctadiene)rhodiuM(I) trifluoroMethanesulfonate

Bis(1,5-cyclooctadiene)rhodiuM(I) trifluoroMethanesulfonate

C17H24F3O3RhS (468.0453)


   

2,4,6-trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,2,4,6-trioxatrisilinane

2,4,6-trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,2,4,6-trioxatrisilinane

C12H21F9O3Si3 (468.0655)


   

2,2-[[2,2-bis(chloromethyl)propane-1,3-diyl]bis(oxy)]bis[5,5-dimethyl-1,3,2-dioxaphosphorinane] 2,2-dioxide

2,2-[[2,2-bis(chloromethyl)propane-1,3-diyl]bis(oxy)]bis[5,5-dimethyl-1,3,2-dioxaphosphorinane] 2,2-dioxide

C15H28Cl2O8P2 (468.0636)


   

adamexine

adamexine

C20H26Br2N2O (468.0412)


C78273 - Agent Affecting Respiratory System > C74536 - Mucolytic Agent

   

FLUORESCEIN O O-DIMETHACRYLATE

FLUORESCEIN O O-DIMETHACRYLATE

C28H20O7 (468.1209)


   

(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

(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 (468.0426)


   
   
   

4-[4-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-2-pyridinecarboxamide

4-[4-({[4-Chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-2-pyridinecarboxamide

C20H13ClF4N4O3 (468.0612)


   
   

Ferrocene,1,1-(1-methylethylidene)bis[ethyl-

Ferrocene,1,1-(1-methylethylidene)bis[ethyl-

C27H32Fe2 (468.1203)


   

RIBAVIRIN 5-MONOPHOSPHATE, DILITHIUM SALT

RIBAVIRIN 5-MONOPHOSPHATE, DILITHIUM SALT

C17H19Li2N4O9P (468.121)


   

Poly[trifluoropropyl(methyl)siloxane]

Poly[trifluoropropyl(methyl)siloxane]

C12H21F9O3Si3 (468.0655)


   

3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methyl-1-benzothiophene

3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methyl-1-benzothiophene

C23H14F6S2 (468.0441)


   
   

Fosmanogepix

Fosmanogepix

C22H21N4O6P (468.1199)


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

Parsaclisib hydrochloride

C20H23Cl2FN6O2 (468.1243)


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

   

Peonidin 3-arabinoside

Peonidin 3-arabinoside

C21H21ClO10 (468.0823)


   

N-({6-[(4-Cyanobenzyl)oxy]naphthalen-2-YL}sulfonyl)-D-glutamic acid

N-({6-[(4-Cyanobenzyl)oxy]naphthalen-2-YL}sulfonyl)-D-glutamic acid

C23H20N2O7S (468.0991)


   

2-Hydroxyethyl dihydrothiachrome diphosphate

2-Hydroxyethyl dihydrothiachrome diphosphate

C14H22N4O8P2S (468.0634)


   

simfibrate

simfibrate

C23H26Cl2O6 (468.1106)


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-glucoside

C21H21ClO10 (468.0823)


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

5-{3-[(2-carboxy-4-oxo-4H-chromen-6-yl)oxy]-2-hydroxypropoxy}-4-oxo-4H-chromene-2-carboxylic acid

C23H16O11 (468.0693)


   

3,4-bis(7-chloro-1H-indol-3-yl)-2,5-diiminohexanedioate

3,4-bis(7-chloro-1H-indol-3-yl)-2,5-diiminohexanedioate

C22H14Cl2N4O4-2 (468.0392)


   

[3-[[2-(Carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury

[3-[[2-(Carboxymethoxy)benzoyl]amino]-2-methoxypropyl]mercury

C13H16HgNO5 (468.0735)


   

Izumiphenazine A

Izumiphenazine A

C25H16N4O6 (468.107)


   

4-(Trifluoromethyl)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

4-(Trifluoromethyl)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

C24H15F3N2O3S (468.0755)


   

N-(5-bromo-2-methoxybenzylidene)-5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-2-furohydrazide

N-(5-bromo-2-methoxybenzylidene)-5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-2-furohydrazide

C23H21BrN2O4 (468.0685)


   

3-chloro-N-[3-[[(3-chloro-4-nitrophenyl)-oxomethyl]amino]-2,2-dimethylpropyl]-4-nitrobenzamide

3-chloro-N-[3-[[(3-chloro-4-nitrophenyl)-oxomethyl]amino]-2,2-dimethylpropyl]-4-nitrobenzamide

C19H18Cl2N4O6 (468.0603)


   

3-[(2-chlorophenyl)methyl]-5-[1-(1-oxo-2-thiophen-2-ylethyl)-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one

3-[(2-chlorophenyl)methyl]-5-[1-(1-oxo-2-thiophen-2-ylethyl)-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one

C22H21ClN6O2S (468.1135)


   

3-(Trifluoromethyl)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

3-(Trifluoromethyl)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

C24H15F3N2O3S (468.0755)


   

2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester

2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester

C23H24N4O3S2 (468.129)


   

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

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 (468.0459)


   

(E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(2-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide

(E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-[2-(2-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide

C22H17FN4O5S (468.0904)


   

(2Z)-2-[3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-4-oxo-1,3-benzothiazin-2-ylidene]acetonitrile

(2Z)-2-[3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-4-oxo-1,3-benzothiazin-2-ylidene]acetonitrile

C22H20N4O4S2 (468.0926)


   

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

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

C22H21ClN6O2S (468.1135)


   

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-[[(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

C22H20N4O4S2 (468.0926)


   

2-[[3-[2-(dimethylamino)ethyl]-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl]thio]-N-(3-methoxyphenyl)acetamide

2-[[3-[2-(dimethylamino)ethyl]-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl]thio]-N-(3-methoxyphenyl)acetamide

C23H24N4O3S2 (468.129)


   

1-(6-Methylpyridin-2-yl)-5-(3-phenoxyphenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione

1-(6-Methylpyridin-2-yl)-5-(3-phenoxyphenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione

C27H20N2O4S (468.1144)


   

2-fluorobenzoyl-AMP

2-fluorobenzoyl-AMP

C17H16FN5O8P- (468.072)


   

3-fluorobenzoyl-AMP

3-fluorobenzoyl-AMP

C17H16FN5O8P- (468.072)


   

4-fluorobenzoyl-AMP

4-fluorobenzoyl-AMP

C17H16FN5O8P- (468.072)


   

(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

(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 (468.1088)


   

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

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 (468.128)


   

Izumiphenazine A, (rel)-

Izumiphenazine A, (rel)-

C25H16N4O6 (468.107)


A natural product found in Streptomyces species.

   

2-[3-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-4-oxo-1,3-benzothiazin-2-ylidene]acetonitrile

2-[3-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-4-oxo-1,3-benzothiazin-2-ylidene]acetonitrile

C22H20N4O4S2 (468.0926)


   
   

Lp-PLA2-IN-1

Lp-PLA2-IN-1

C21H17F5N4O3 (468.1221)


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)

C21H23Cl3N4O2 (468.0887)


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

2-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl]oxy}benzoic acid

C20H20O13 (468.0904)


   

(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

(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

C24H20O10 (468.1056)


   

[(2r,3s,4s,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

[(2r,3s,4s,5r,6r)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C21H24O12 (468.1268)


   

(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

(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

C24H20O10 (468.1056)


   

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-hydroxy-5-(2-hydroxyethyl)phenoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-hydroxy-5-(2-hydroxyethyl)phenoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C21H24O12 (468.1268)


   

{6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3,4,5-trihydroxybenzoate

{6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3,4,5-trihydroxybenzoate

C21H24O12 (468.1268)


   

2,3,6-trihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate

2,3,6-trihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

(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

(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

C22H25ClO9 (468.1187)


   

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

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

C22H25ClO9 (468.1187)


   

(2r,3r,4s,5s)-3-hydroxy-2-(hydroxymethyl)-5-(3,4,5-trihydroxybenzoyloxy)oxan-4-yl 3,4,5-trihydroxybenzoate

(2r,3r,4s,5s)-3-hydroxy-2-(hydroxymethyl)-5-(3,4,5-trihydroxybenzoyloxy)oxan-4-yl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

7-hydroxy-7'-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-[6,8'-bichromene]-2,2'-dione

7-hydroxy-7'-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-[6,8'-bichromene]-2,2'-dione

C24H20O10 (468.1056)


   

(2r,3r)-7,9-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one

(2r,3r)-7,9-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one

C24H20O10 (468.1056)


   

3-carboxy-6,7-dihydroxy-1-(3',4'-dihydroxy-phenyl)-naphthalene-9,5''-o-shikimicacidester

NA

C24H20O10 (468.1056)


{"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

NA

C20H20O13 (468.0904)


{"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

[(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

C21H24O12 (468.1268)


   

(1r,2r,3s,4s,5r)-2,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate

(1r,2r,3s,4s,5r)-2,3,5-trihydroxy-4-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

{3,4,5-trihydroxy-6-[2-hydroxy-4-(2-hydroxyethyl)phenoxy]oxan-2-yl}methyl 3,4,5-trihydroxybenzoate

{3,4,5-trihydroxy-6-[2-hydroxy-4-(2-hydroxyethyl)phenoxy]oxan-2-yl}methyl 3,4,5-trihydroxybenzoate

C21H24O12 (468.1268)


   

(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

(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

C25H16N4O6 (468.107)


   

7-hydroxy-7'-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-[8,8'-bichromene]-2,2'-dione

7-hydroxy-7'-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-[8,8'-bichromene]-2,2'-dione

C24H20O10 (468.1056)


   

{3,4,5-trihydroxy-6-[2-hydroxy-5-(2-hydroxyethyl)phenoxy]oxan-2-yl}methyl 3,4,5-trihydroxybenzoate

{3,4,5-trihydroxy-6-[2-hydroxy-5-(2-hydroxyethyl)phenoxy]oxan-2-yl}methyl 3,4,5-trihydroxybenzoate

C21H24O12 (468.1268)


   

(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

(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

C24H20O10 (468.1056)


   

7,9-dihydroxy-15a-methyl-8,13,14-trioxo-15h-anthra[2,1-a]phenoxazine-3-carboximidic acid

7,9-dihydroxy-15a-methyl-8,13,14-trioxo-15h-anthra[2,1-a]phenoxazine-3-carboximidic acid

C26H16N2O7 (468.0957)


   

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

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

C25H16N4O6 (468.107)


   

2,3,6-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate

2,3,6-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

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

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

C22H25ClO9 (468.1187)


   

{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

{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

C21H24O12 (468.1268)


   

(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

(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

C28H20O7 (468.1209)


   

2,6',9-trihydroxy-4'-oxo-2',3'-dihydro-1'h-[1,2'-biphenazine]-4-carboxylic acid

2,6',9-trihydroxy-4'-oxo-2',3'-dihydro-1'h-[1,2'-biphenazine]-4-carboxylic acid

C25H16N4O6 (468.107)


   

7-hydroxy-7'-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-[8,8'-bichromene]-2,2'-dione

7-hydroxy-7'-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-[8,8'-bichromene]-2,2'-dione

C24H20O10 (468.1056)


   

(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

(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 (468.1169)


   

(2r,3r,4r,5s)-3,5-dihydroxy-2-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-4-yl 3,4,5-trihydroxybenzoate

(2r,3r,4r,5s)-3,5-dihydroxy-2-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-4-yl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

(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

(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

C25H16N4O6 (468.107)


   

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

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

C24H20O10 (468.1056)


   

5-[4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carbonyloxy]-3,4-dihydroxycyclohex-1-ene-1-carboxylic acid

5-[4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carbonyloxy]-3,4-dihydroxycyclohex-1-ene-1-carboxylic acid

C24H20O10 (468.1056)


   

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

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

C28H20O7 (468.1209)


   

4,5-dihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxybenzoate

4,5-dihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

4-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[(1e)-2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-2-yl]benzene-1,3-diol

4-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[(1e)-2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-2-yl]benzene-1,3-diol

C28H20O7 (468.1209)


   

4-[2,3-bis(acetyloxy)-3',4',5,6-tetrahydroxy-[1,1'-biphenyl]-4-yl]phenyl acetate

4-[2,3-bis(acetyloxy)-3',4',5,6-tetrahydroxy-[1,1'-biphenyl]-4-yl]phenyl acetate

C24H20O10 (468.1056)


   

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[5-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[5-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C21H24O12 (468.1268)


   

(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

(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

C25H16N4O6 (468.107)


   

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

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

C22H22Cl2O7 (468.0743)


   

2-hydroxy-5-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl}oxy)benzoic acid

2-hydroxy-5-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl}oxy)benzoic acid

C20H20O13 (468.0904)


   

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

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

C24H20O10 (468.1056)


   

(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

(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

C24H20O10 (468.1056)


   

[(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

[(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

C21H24O12 (468.1268)


   

7-hydroxy-7'-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-[8,8'-bichromene]-2,2'-dione

7-hydroxy-7'-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-[8,8'-bichromene]-2,2'-dione

C24H20O10 (468.1056)


   

(2r,3s,4r,5s)-4-hydroxy-2-(hydroxymethyl)-5-(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 3,4,5-trihydroxybenzoate

(2r,3s,4r,5s)-4-hydroxy-2-(hydroxymethyl)-5-(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

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

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

C24H17ClO8 (468.0612)


   

5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate

5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate

C24H20O10 (468.1056)


   

(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

(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

C28H20O7 (468.1209)


   

5-[4-hydroxy-6-(6-hydroxy-1-benzofuran-2-yl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol

5-[4-hydroxy-6-(6-hydroxy-1-benzofuran-2-yl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol

C28H20O7 (468.1209)


   

3-(3,4-dihydroxyphenyl)-3-hydroxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1-(2,4,6-trihydroxyphenyl)propan-1-one

3-(3,4-dihydroxyphenyl)-3-hydroxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1-(2,4,6-trihydroxyphenyl)propan-1-one

C21H24O12 (468.1268)


   

[(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

[(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

C21H24O12 (468.1268)


   

(1r,2s,3r,4s,6r)-2,3,4-trihydroxy-6-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate

(1r,2s,3r,4s,6r)-2,3,4-trihydroxy-6-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

2-(acetyloxy)-5-cyano-1,3,7-trihydroxy-3-methyl-6,11-dioxo-1h,2h,4h-benzo[b]carbazol-4-yl propanoate

2-(acetyloxy)-5-cyano-1,3,7-trihydroxy-3-methyl-6,11-dioxo-1h,2h,4h-benzo[b]carbazol-4-yl propanoate

C23H20N2O9 (468.1169)


   

(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

(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

C28H20O7 (468.1209)


   

(1s,2s,3r,5s,6s)-2,3,6-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate

(1s,2s,3r,5s,6s)-2,3,6-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

7-hydroxy-7'-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-[8,8'-bichromene]-2,2'-dione

7-hydroxy-7'-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-[8,8'-bichromene]-2,2'-dione

C24H20O10 (468.1056)


   

(1r,2s,3s,4r,6r)-2,3,4-trihydroxy-6-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate

(1r,2s,3s,4r,6r)-2,3,4-trihydroxy-6-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

(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

(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

C28H20O7 (468.1209)


   

[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-[2-hydroxy-4-(2-hydroxyethyl)phenoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-[2-hydroxy-4-(2-hydroxyethyl)phenoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C21H24O12 (468.1268)


   

(3s,4s,5s,6r)-4,5-dihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxybenzoate

(3s,4s,5s,6r)-4,5-dihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-3-yl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

(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

(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

C22H25ClO9 (468.1187)


   

(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

(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

C24H20O10 (468.1056)


   

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

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

C25H16N4O6 (468.107)


   

(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

(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 (468.1169)


   

(3r,4r,5r)-5-[4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carbonyloxy]-3,4-dihydroxycyclohex-1-ene-1-carboxylic acid

(3r,4r,5r)-5-[4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carbonyloxy]-3,4-dihydroxycyclohex-1-ene-1-carboxylic acid

C24H20O10 (468.1056)


   

(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

(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

C21H24O12 (468.1268)


   

7,9-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one

7,9-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one

C24H20O10 (468.1056)


   

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

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

C21H24O12 (468.1268)


   

(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

(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

C24H20O10 (468.1056)


   

6-{[3,5-dihydroxy-2-(2,5,7-trihydroxy-2-methyl-4-oxo-1,3-dihydronaphthalene-1-carbonyl)phenyl]methyl}-4-hydroxypyran-2-one

6-{[3,5-dihydroxy-2-(2,5,7-trihydroxy-2-methyl-4-oxo-1,3-dihydronaphthalene-1-carbonyl)phenyl]methyl}-4-hydroxypyran-2-one

C24H20O10 (468.1056)


   

(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

(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

C22H22Cl2O7 (468.0743)


   

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

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

C24H20O10 (468.1056)


   

3,5-dihydroxy-2-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-4-yl 3,4,5-trihydroxybenzoate

3,5-dihydroxy-2-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-4-yl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

(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

(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 (468.1169)


   

(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

(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

C21H24O12 (468.1268)


   

(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

(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

C24H20O10 (468.1056)


   

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

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

C28H20O7 (468.1209)


   

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

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

C28H20O7 (468.1209)


   

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

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

C24H20O10 (468.1056)


   

(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

(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

C25H16N4O6 (468.107)


   

3-(acetyloxy)-2,4,9-trihydroxy-2-methyl-5,10-dioxo-11-(λ⁵-diazynylidene)-1h,3h,4h-benzo[b]fluoren-1-yl propanoate

3-(acetyloxy)-2,4,9-trihydroxy-2-methyl-5,10-dioxo-11-(λ⁵-diazynylidene)-1h,3h,4h-benzo[b]fluoren-1-yl propanoate

C23H20N2O9 (468.1169)


   

2,3,4-trihydroxy-6-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate

2,3,4-trihydroxy-6-(3,4,5-trihydroxybenzoyloxy)cyclohexyl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

4-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-2-yl]benzene-1,3-diol

4-[3-(3,5-dihydroxyphenyl)-6-hydroxy-4-[2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-2-yl]benzene-1,3-diol

C28H20O7 (468.1209)


   

{3,4,5-trihydroxy-6-[(2-oxo-3a,6,7,7a-tetrahydro-3h-1-benzofuran-6-yl)oxy]oxan-2-yl}methyl 3,4,5-trihydroxybenzoate

{3,4,5-trihydroxy-6-[(2-oxo-3a,6,7,7a-tetrahydro-3h-1-benzofuran-6-yl)oxy]oxan-2-yl}methyl 3,4,5-trihydroxybenzoate

C21H24O12 (468.1268)


   

(1'r,2s,5'r,6's,12'r)-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

(1'r,2s,5'r,6's,12'r)-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

C24H20O10 (468.1056)


   

[(2r,3s,4s,5r,6s)-6-(5-formyl-2,3-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

[(2r,3s,4s,5r,6s)-6-(5-formyl-2,3-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

C20H20O13 (468.0904)


   

(8s,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

(8s,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

C28H20O7 (468.1209)


   

(2s,3s)-7,9-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one

(2s,3s)-7,9-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4,5-trioxatetraphen-10-one

C24H20O10 (468.1056)


   

(1s,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

(1s,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

C22H25ClO9 (468.1187)


   

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

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

C25H16N4O6 (468.107)