Exact Mass: 544.1626
Exact Mass Matches: 544.1626
Found 369 metabolites which its exact mass value is equals to given mass value 544.1626
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(2S,2'S,3S,3'R,4S)-3,4',5,7-Tetrahydroxyflavan(2->7,4->8)-3,4',5,7-tetrahydroxyflavan
(2S,2R,3S,3S,4S)-3,4,5,7-Tetrahydroxyflavan(2->7,4->8)-3,4,5,7-tetrahydroxyflavan is found in fruits. (2S,2R,3S,3S,4S)-3,4,5,7-Tetrahydroxyflavan(2->7,4->8)-3,4,5,7-tetrahydroxyflavan is a constituent of Prunus armeniaca (apricot). (2S,2S,3S,3R,4S)-3,4,5,7-Tetrahydroxyflavan(2->7,4->8)-3,4,5,7-tetrahydroxyflavan is a flavonoid oligomer.
Physalin D
Constituent of the famine food Physalis angulata (cutleaf ground cherry). Physalin D is found in herbs and spices and fruits. Physalin D is a natural product found in Physalis angulata, Physalis peruviana, and other organisms with data available. Physalin D is found in fruits. Physalin D is a constituent of the famine food Physalis angulata (cutleaf ground cherry)
Physalin E
Constituent of the famine food Physalis angulata (cutleaf ground cherry). Physalin E is found in herbs and spices and fruits. Physalin E is found in fruits. Physalin E is a constituent of the famine food Physalis angulata (cutleaf ground cherry)
Methyl 3,4-dicaffeoylquinate
Methyl 3,4-dicaffeoylquinate is found in citrus. Methyl 3,4-dicaffeoylquinate is a constituent of the peel of Citrus reticulata (mandarin). Constituent of the peel of Citrus reticulata (mandarin). Methyl 3,4-dicaffeoylquinate is found in citrus.
Maclurin 3-C-(6'-p-hydroxybenzoyl-glucoside)
Maclurin 3-C-(6-p-hydroxybenzoyl-glucoside) is found in fruits. Maclurin 3-C-(6-p-hydroxybenzoyl-glucoside) is a constituent of leaves of Mangifera indica (mango)
1,5-Diferuloylquinic acid
1,5-Diferuloylquinic acid is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
Estriol 3-sulfate 16-glucuronide
Estriol 3-sulfate 16-glucuronide is a natural human metabolite of Estriol 3-sulfate generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Estriol 3-sulfate 16-glucuronide is a natural human metabolite of Estriol 3-sulfate generated in the liver by UDP glucuonyltransferase. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Fluperamide
Fluperamide, also known as R 18, belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. Fluperamide is considered to be a practically insoluble (in water) and relatively neutral molecule. C78276 - Agent Affecting Digestive System or Metabolism > C266 - Antidiarrheal Agent
Curcumin glucuronide
Curcumin glucuronide is a diarylheptanoid.
Hydroxyrubicin
Prednisolone metasulfobenzoate
Vilaprisan
3,4-Diferuloylquinic acid
3,4-diferuloylquinic acid belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 3,4-diferuloylquinic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 3,4-diferuloylquinic acid can be found in carrot, which makes 3,4-diferuloylquinic acid a potential biomarker for the consumption of this food product.
3,5-Diferuloylquinic acid
3,5-diferuloylquinic acid belongs to quinic acids and derivatives class of compounds. Those are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1. 3,5-diferuloylquinic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 3,5-diferuloylquinic acid can be found in carrot, which makes 3,5-diferuloylquinic acid a potential biomarker for the consumption of this food product.
Mahuannin A
From Prunus subspecies Mahuannin A is found in fruits and apricot.
Homaloside D
7,5-Dihydroxy-5,4-dimethoxy-3-prenylisoflavone 7-O-galactoside
1-O-Methyl-3,5-O-dicaffeoyl quinic acid methyl ester
(3S,5R,8S)-2-[(benzoyloxy)methyl]-8-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0²,⁵.0³,⁸]decane-6-sulfonic acid
matosine|rel-(7R,8R,7R,8S)-2,4,4,5,7-pentahydroxy-7,8-dihydrochalcone-(2->7,8->8)-2,4,4-trihydroxy-7,8-dihydrochalcone
(E)-8,8-<1,4-dimethyl-3-cyclohexen-1,2-ylene vinylene>-bis-<5,7-dimethoxycoumarin>|mexolide|Toddasin
tetragonolide-(2-methylbutyrate)|tetragonolide-<2-methylbutyrate>
bistratamide H
A homodetic cyclic peptide that consists of L-valine as the amino acid residue. It is isolated from Lissoclinum bistratum and exhibits antitumour activity against the human colon tumour cell line.
[4,5-dihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]-2-(4-hydroxyphenoxy)tetrahydropyran-3-yl] 3,4,5-trihydroxybenzoate
phomalevone C
A biaryl that is 5,10a-dihydro-9H,9H-2,2-bixanthene-5,9,9(10aH)-trione substituted by hydroxy groups at positions 1, 1, 5, 8 and 8 and methyl groups at positions 3, 3, 10a and 10a. Isolated from the cultures of a Hawaiian isolate of the fungus Phoma species, it exhibits antibacterial and antifungal activities.
chrysin 6-C-(2-O-alpha-L-rhamnopyranosyl)-6-deoxyribohexos-3-uloside
(1s,3R,4s,5R)-3,5-di-O-feruloylquinic acid|(?)?3,5-di-O-feruloylquinic acid|3,5-di-O-caffeoylquinic acid|3,5-O-diferuloylquinic acid
(1S,4aR,5S,6S,7S,7aS)-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6,7-dihydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-5-yl 3,4-dimethoxybenzoate|(1S,4aR,5S,6S,7S,7aS)-5-[(3,4-dimethoxybenzoyl)oxy]-6,7-dihydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl beta-D-dlucopyranoside|6-O-(3,4-dimethoxybenzoyl)paulownioside|eremoside A
1?-O-[(E)-2?-methyl-but-2?-en-4?-ol]-4?,6?-O-[3,5-dicarbonyl-8-hydroxy-2-(4?,5?-dihydroxy-phenyl)-1-benzofuran-2-yl]-beta-d-glucopyranose|salviniside I
Hepta-Me ether-2,3,3,4,5,6,7-Heptahydroxyflavanone
4-(9H-beta-carbolin-1-ylmethyl)-6-beta-D-glucopyranosyloxy-2-hydroxy-5-vinyl-tetrahydro-pyran-3-carboxylic acid methyl ester|Palinin|Palinine
2,4,6-trihydroxybenzophenone 4-O-(6-O-galloyl)-beta-D-glucopyranoside|guavinoside A
Paeoniflorin sulfite
Paeoniflorin, a main component of Paeoniae Radix Alba, could be transformed into Paeoniflorin sulfite during sulfur-fumigation of Paeoniae Radix Alba[1].
Ethyl 3,4-dicaffeoylquinate
Ethyl 3,4-dicaffeoylquinate is a natural product found in Dichrocephala integrifolia with data available.
(1S,3R,4R,5R)-1,3-dihydroxy-4,5-bis[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy]cyclohexane-1-carboxylic acid
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]-2-(4-hydroxyphenoxy)oxan-3-yl] 3,4,5-trihydroxybenzoate
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2,3-dihydrochromen-4-one
Scytonemin
A ring assembly obtained by 1,1-coupling of two molecules of (3E)-3-[(4-hydroxyphenyl)methylidene]cyclopenta[b]indol-2(3H)-one. A UV-screening molecule produced by many strains of cyanobacteria.
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2,3-dihydrochromen-4-one [IIN-based: Match]
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2,3-dihydrochromen-4-one [IIN-based on: CCMSLIB00000847696]
(3S,5R,8S)-2-[(benzoyloxy)methyl]-8-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0²,⁵.0³,⁸]decane-6-sulfonic acid_major
(3S,5R,8S)-2-[(benzoyloxy)methyl]-8-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dioxatetracyclo[4.3.1.0²,?.0³,?]decane-6-sulfonic acid
Cys Glu Phe Phe
Cys Glu Met Tyr
Cys Glu Tyr Met
Cys Phe Glu Phe
Cys Phe Phe Glu
Cys Met Glu Tyr
Cys Met Tyr Glu
Cys Pro Tyr Tyr
Cys Tyr Glu Met
Cys Tyr Met Glu
Cys Tyr Pro Tyr
Cys Tyr Tyr Pro
Glu Cys Phe Phe
Glu Cys Met Tyr
Glu Cys Tyr Met
Glu Glu His Met
Glu Glu Met His
Glu Phe Cys Phe
Glu Phe Phe Cys
Glu His Glu Met
Glu His Met Glu
Glu Met Cys Tyr
Glu Met Glu His
Glu Met His Glu
Glu Met Tyr Cys
Glu Tyr Cys Met
Glu Tyr Met Cys
Phe Cys Glu Phe
Phe Cys Phe Glu
Phe Glu Cys Phe
Phe Glu Phe Cys
Phe Phe Cys Glu
Phe Phe Glu Cys
His Glu Glu Met
His Glu Met Glu
His Met Glu Glu
Met Cys Glu Tyr
Met Cys Tyr Glu
Met Glu Cys Tyr
Met Glu Glu His
Met Glu His Glu
Met Glu Tyr Cys
Met His Glu Glu
Met Met Thr Tyr
Met Met Tyr Thr
Met Thr Met Tyr
Met Thr Tyr Met
Met Tyr Cys Glu
Met Tyr Glu Cys
Met Tyr Met Thr
Met Tyr Thr Met
Pro Cys Tyr Tyr
Pro Tyr Cys Tyr
Pro Tyr Tyr Cys
Thr Met Met Tyr
Thr Met Tyr Met
Thr Tyr Met Met
Tyr Cys Glu Met
Tyr Cys Met Glu
Tyr Cys Pro Tyr
Tyr Cys Tyr Pro
Tyr Glu Cys Met
Tyr Glu Met Cys
Tyr Met Cys Glu
Tyr Met Glu Cys
Tyr Met Met Thr
Tyr Met Thr Met
Tyr Pro Cys Tyr
Tyr Pro Tyr Cys
Tyr Thr Met Met
Tyr Tyr Cys Pro
Tyr Tyr Pro Cys
GW 627368X
Estriol 3-sulfate 16-glucuronide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Maclurin 3-C-(6''-p-hydroxybenzoyl-glucoside)
(2S,2''S,3S,3''R,4S)-3,4',5,7-Tetrahydroxyflavan(2->7,4->8)-3,4',5,7-tetrahydroxyflavan
Physalin E
Physalin D
A physalin with antimalarial and antimycobacterial activities isolated from Physalis angulata.
Methyl 3,4-dicaffeoylquinate
An alkyl caffeate ester obtained by the formal condensation of hydroxy groups at positions 3 and 4 of methylquinate with two molecules of trans-caffeic acid respectively.
1,5-Diferuloylquinic acid
(2S,5R,8S)-2-[(Benzoyloxy)methyl]-3-(?-D-glucopyranosyloxy)-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decane-6-sulfonic acid
2,4,6,8-tetramethyl-2,4,6,8-tetraphenylcyclotetrasiloxane
2-[(1E,3Z)-3-CHLORO-5-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-1,3-PENTADIENYL]-1,3,3-TRIMETHYL-3H-INDOLIUM IODIDE
((2E,4E)-3-METHYL-5-(2,6,6-TRIMETHYLCYCLOHEX-2-EN-1-YL)PENTA-2,4-DIEN-1-YL)TRIPHENYLPHOSPHONIUM BROMIDE
Mesoridazine besylate
C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
N2-[4-[[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]-N1,N1-dimethylethanediamide
Vilaprisan
C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C1891 - Progesterone Antagonist C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent
Doxorubicin(1+)
An anthracycline cation that is the conjugate acid of doxorubicin, arising from protonation of the amino group; major species at pH 7.3.
(1S,5R,6R,21S)-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
4-Epidoxorubicinium
An anthracycline cation resulting from the protonation of the amino group of 4-epidoxorubicin.
Chaetochromin D
A biaryl that is 2,3-dihydro-4H,4H-9,9-bibenzo[g]chromene-4,4-dione substituted by hydroxy groups at positions 5, 5, 6, 6, 8 and 8 and methyl groups at positions 2, 2, 3 and 3. It has been isolated from Chaetomium gracile.
19-Z-Gardfloramine-9-O-beta-D-glucopyranoside, (rel)-
A natural product found in Gardneria ovata.
methyl (1S,15S,16S,17S,21S)-17-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18,23-dioxa-3,13-diazahexacyclo[13.7.1.01,13.02,10.04,9.016,21]tricosa-2(10),4,6,8,19-pentaene-20-carboxylate
3alpha-hydroxyetiocholan-17-one 3-O-(3-sulfo-beta-D-glucuronate)
2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1S,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1R,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
3,4,5-Trihydroxy-6-[3-(7-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
(2S,3R,4S,5R,6R)-6-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid
(2S,3R,4S,5R,6S)-6-[[(8R,9S,13S,14S,16R,17R)-16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid
(2S,3R,4S,5R,6R)-6-[[(8R,9S,13S,14S,16R,17R)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid
(2S,3R,4S,5R,6R)-6-[[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid
(2S,3R,4S,5R,6R)-6-[[(8R,9S,13S,14S,16R,17R)-3,16-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,5-dihydroxy-4-sulfooxyoxane-2-carboxylic acid
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-2,3-dihydrochromen-4-one
(3S,5R,8S)-2-(benzoyloxymethyl)-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decane-6-sulfonic acid
Anatabine (dicitrate)
Anatabine dicitrate is a tobacco alkaloid that can cross the blood-brain barrier. Anatabine dicitrate is a potent α4β2 nAChR agonist. Anatabine dicitrate inhibits NF-κB activation lower amyloid-β (Aβ) production by preventing the β-cleavage of amyloid precursor protein (APP). Anatabine dicitrate has anti-inflammatory effects and has the potential for neurodegenerative disorders treatment[1][2][3].
5,6,8-trihydroxy-2,3-dimethyl-9-{5,6,8-trihydroxy-2,3-dimethyl-4-oxo-2h,3h-naphtho[2,3-b]pyran-9-yl}benzo[g]chromen-4-one
(1s,2r,3r,15r,28r)-3,7,9,22,24,28-hexahydroxy-11,20-dimethyl-16-oxaheptacyclo[15.11.1.0²,¹⁵.0⁶,¹⁵.0⁸,¹³.0¹⁸,²³.0²⁵,²⁹]nonacosa-6,8,10,12,17(29),18,20,22,24-nonaene-5,14,26-trione
methyl (1r,3s,4r,7r,8s,11s,12s,15s,16s)-12-(acetyloxy)-16-(furan-3-yl)-4,9,9,15-tetramethyl-5,10,18-trioxo-2,6,17-trioxapentacyclo[10.7.0.0¹,¹⁵.0³,¹¹.0⁴,⁸]nonadecane-7-carboxylate
(4s,11s,18s)-4,11,18-triisopropyl-7-methyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1⁵,⁸.1¹²,¹⁵]tetracosa-1(21),2,5(24),7,9,12(23),14,16,19(22)-nonaene-2,9,16-triol
(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-(2-hydroxy-6-{[(1r)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy]methyl}phenoxy)-6-(hydroxymethyl)oxan-3-yl benzoate
(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-{4-hydroxy-2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy)methyl]phenoxy}-6-(hydroxymethyl)oxan-4-yl benzoate
2-hydroxy-6-[hydroxy({4,6,9,10-tetrahydroxy-5,13-dioxo-8h,9h,10h,12ah-indeno[1,2-a]anthracen-8a-yl})methyl]-4-methylbenzoic acid
(9s)-4,6-dimethoxy-8-[2-(4-methoxyphenyl)ethyl]-9-[(4-methoxyphenyl)methyl]-9h-xanthene-2,3,5-triol
(1r,2r,5s,8s,9r,14r,15r,17r,18r,21s,24s,26s,27s)-5,14,15-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacos-11-ene-4,10,22,29-tetrone
(1r,3s)-5,9-dimethoxy-1,3-dimethyl-5-[(6s)-1,6,9-trihydroxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl]-1h,3h,4h-naphtho[2,3-c]pyran-10-one
2,5-bis(4-hydroxyphenyl)-4-{[(2z)-3-[(2s,3s)-3-methyloxiran-2-yl]prop-2-enoyl]oxy}-3,6-dioxocyclohexa-1,4-dien-1-yl (2z)-3-[(2s,3s)-3-methyloxiran-2-yl]prop-2-enoate
[(1r,7s,9r,16r,18r,19r)-1,5-dihydroxy-19-{[(2s,5s,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.0²,¹⁵.0⁴,¹³.0⁶,¹¹]icosa-2(15),4(13),5,11-tetraen-9-yl]acetic acid
methyl (2r,3r,4s,5s,6r)-5-ethenyl-2-hydroxy-4-{9h-pyrido[3,4-b]indol-1-ylmethyl}-6-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3-carboxylate
(1r,5s,6s,13s,21r)-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
[(7s,9r,16s,18r)-1,5-dihydroxy-19-{[(2s)-5-hydroxy-6-methyloxan-2-yl]oxy}-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.0²,¹⁵.0⁴,¹³.0⁶,¹¹]icosa-2(15),4,6(11),12-tetraen-9-yl]acetic acid
(1s,5s,6s,13r,21s)-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
3,4-dihydroxy-1,5-bis({[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy})cyclohexane-1-carboxylic acid
(1r,6r,7r,13s,21r)-7,13-bis(4-hydroxyphenyl)-8,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-2(11),3,9,15,17,19-hexaene-3,6,17,19,21-pentol
(1r,2s,5r,8r,9r,14r,15r,17s,18r,21s,24r,26s,27s)-5,14,15-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacos-11-ene-4,10,22,29-tetrone
methyl 5-ethenyl-2-hydroxy-4-{9h-pyrido[3,4-b]indol-1-ylmethyl}-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3-carboxylate
[(1s,4ar,5s,6r,7s,7as)-6-chloro-5,7-dihydroxy-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-7-yl]methyl (2z)-3-(4-hydroxyphenyl)prop-2-enoate
methyl (1s,15s,16s,17s,21s)-17-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-18,23-dioxa-3,13-diazahexacyclo[13.7.1.0¹,¹³.0²,¹⁰.0⁴,⁹.0¹⁶,²¹]tricosa-2(10),4,6,8,19-pentaene-20-carboxylate
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-hydroxy-2-{[(1r)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy]methyl}phenoxy)oxan-2-yl]methyl benzoate
1-o-methyl-3,5-o-dicaffeoyl quinic acid methyl ester
{"Ingredient_id": "HBIN002919","Ingredient_name": "1-o-methyl-3,5-o-dicaffeoyl quinic acid methyl ester","Alias": "1-o-methyl-3,5-o-dicaffeoyl quinicacid methylester","Ingredient_formula": "C27H28O12","Ingredient_Smile": "CCOC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31584;14285","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-O-trans-feruloylquinic acid
{"Ingredient_id": "HBIN009386","Ingredient_name": "3-O-trans-feruloylquinic acid","Alias": "NA","Ingredient_formula": "C27H28O12","Ingredient_Smile": "COC1=C(C=CC(=C1)C=CC(=O)OC2CC(CC(C2O)O)(C(=O)O)OC(=O)C=CC3=CC(=C(C=C3)O)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40045","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}