Exact Mass: 544.1944522
Exact Mass Matches: 544.1944522
Found 500 metabolites which its exact mass value is equals to given mass value 544.1944522
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
10-Deacetylbaccatin III
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.908 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.907 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.902 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.898 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2261 10-Deacetylbaccatin-III is an intermediate for taxol analog preparations. IC50 value: Target: Taxols have exhibit antitumor agents. Several of these taxols can be synthesized from 10- Deacetylbaccatin-III. 10-Deacetylbaccine III is the fifth intermediate of paclitaxel biosynthesis. The biosynthetic pathway consists of approximately 20 enzymatic steps but is not fully elucidated. 10-Deacetylbaccine III is an antineoplastic agent and an anti-cancer intermediate. 10-Deacetylbaccatin-III is an intermediate for taxol analog preparations. IC50 value: Target: Taxols have exhibit antitumor agents. Several of these taxols can be synthesized from 10- Deacetylbaccatin-III. 10-Deacetylbaccine III is the fifth intermediate of paclitaxel biosynthesis. The biosynthetic pathway consists of approximately 20 enzymatic steps but is not fully elucidated. 10-Deacetylbaccine III is an antineoplastic agent and an anti-cancer intermediate.
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.
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.
10-Deacetylbaccatin III
Etalocib
C308 - Immunotherapeutic Agent
Hydroxyrubicin
Prednisolone metasulfobenzoate
Satratoxin G
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.
10-Deacetylbaccatin
10-deacetylbaccatin III is a tetracyclic diterpenoid and a secondary alpha-hydroxy ketone. It is functionally related to a baccatin III. 10-Deacetylbaccatin III is a natural product found in Corylus avellana, Taxus wallichiana, and other organisms with data available. 10-Deacetylbaccatin-III is an intermediate for taxol analog preparations. IC50 value: Target: Taxols have exhibit antitumor agents. Several of these taxols can be synthesized from 10- Deacetylbaccatin-III. 10-Deacetylbaccine III is the fifth intermediate of paclitaxel biosynthesis. The biosynthetic pathway consists of approximately 20 enzymatic steps but is not fully elucidated. 10-Deacetylbaccine III is an antineoplastic agent and an anti-cancer intermediate. 10-Deacetylbaccatin-III is an intermediate for taxol analog preparations. IC50 value: Target: Taxols have exhibit antitumor agents. Several of these taxols can be synthesized from 10- Deacetylbaccatin-III. 10-Deacetylbaccine III is the fifth intermediate of paclitaxel biosynthesis. The biosynthetic pathway consists of approximately 20 enzymatic steps but is not fully elucidated. 10-Deacetylbaccine III is an antineoplastic agent and an anti-cancer intermediate.
Satratoxin G
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE isolated standard
(2S,3R,12S)-13-Deoxy-2,3-epoxy-2,3,7,8-tetrahydro-13-oxo-satratoxin H
Baccharinoid B 27
Homaloside D
7,5-Dihydroxy-5,4-dimethoxy-3-prenylisoflavone 7-O-galactoside
1-O-Methyl-3,5-O-dicaffeoyl quinic acid methyl ester
Methyl (2E)-3-[5-acetoxy-9-(3-furyl)-4-hydroxy-3,3,5a,9a-tetramethyl-7-oxododecahydro[2]benzofuro[5,4-f]oxireno[d]isochromen-11b(1H)-yl]acrylate
(E)-8,8-<1,4-dimethyl-3-cyclohexen-1,2-ylene vinylene>-bis-<5,7-dimethoxycoumarin>|mexolide|Toddasin
lancifodilactone G
A triterpenoid that is a nortriterpenoid isolated from Schisandra lancifolia and has been shown to exhibit anti-HIV activity.
tetragonolide-(2-methylbutyrate)|tetragonolide-<2-methylbutyrate>
(19Xi)-19,20-epoxy-2-hydroxy-4-methyl-16-(3t-phenyl-acryloyloxymethyl)-(2alpha,20betaH)-1,2,19,20-tetrahydro-4,5-seco-akuammilane-5,17-dioic acid 5-lactone 17-methyl ester|Lanciferin
8,10-dihydroxydimethyl-2-methyl-(2E,6E)-octadienoyl catalpol
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.
(19Xi)-19,20-epoxy-2-hydroxy-4-methyl-16-(3t-phenyl-acryloyloxymethyl)-(2alpha,20betaH)-1,2,19,20-tetrahydro-4,5-seco-akuammilane-5,17-dioic acid 5-lactone 17-methyl ester|Lanciferin|lanciferine
cipatrijugin H|methyl rel-[(4R,4aS,5S,6R,7aR,8S,10R,11aS,12aS)-10-(acetyloxy)-4-(furan-3-yl)-dodecahydro-5-hydroxy-4a,7a,9,9-tetramethyl-13-methylidene-2,7-dioxo-4H-6,12a-methanopyrano[4,3-b][1]benzoxocin-8-yl]acetate
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
(3R,3aR,4aS,5S,6S,8S,8aS,9S)-6-(acetyloxy)-5-[(benzoyloxy)methyl]-2,3,4,4a,5,6,7,8,8a,9-decahydro-3,5,8,9-tetrahydroxy-1,8a,12,12-tetramethyl-3a,9-(methanoxymethano)-3aH-benz[f]inden-10-one|tasumatrol P
(3R,3aR,4aS,5S,6S,8S,8aS,9S)-6-(acetyloxy)-2,3,4,4a,7,8,8a,9-octahydro-2,3,8,9-tetrahydroxy-1,8a,12,12-tetramethyl-2-phenylspiro[1,3-dioxolane-4,5(6H)-[3a,9](methanoxymethano)[3aH]benz[f]inden]-10-one|tasumatrol S
4-(9H-beta-carbolin-1-ylmethyl)-6-beta-D-glucopyranosyloxy-2-hydroxy-5-vinyl-tetrahydro-pyran-3-carboxylic acid methyl ester|Palinin|Palinine
20-acetoxy-15-(benzoyloxy)-2alpha,4alpha,5alpha,7beta-tetrahydroxy-9,10-dioxo-11(15->1)abeo-tax-11(12)-ene|taiwantaxin A
Phe Thr Tyr Asp
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
C29H36O10_2-Propenoic acid, 3-[5-(acetyloxy)-9-(3-furanyl)dodecahydro-4-hydroxy-3,3,5a,9a-tetramethyl-7-oxofuro[3,4:5,6]naphth[2,1-c]oxireno[d]pyran-11b(1H)-yl]-, methyl ester, (2E)
methyl (2E)-3-[18-(acetyloxy)-7-(furan-3-yl)-17-hydroxy-1,8,15,15-tetramethyl-5-oxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-12-yl]prop-2-enoate
methyl (2E)-3-[18-(acetyloxy)-7-(furan-3-yl)-17-hydroxy-1,8,15,15-tetramethyl-5-oxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-12-yl]prop-2-enoate_major
methyl (2E)-3-[18-(acetyloxy)-7-(furan-3-yl)-17-hydroxy-1,8,15,15-tetramethyl-5-oxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-12-yl]prop-2-enoate_69.2\\%
methyl (2E)-3-[18-(acetyloxy)-7-(furan-3-yl)-17-hydroxy-1,8,15,15-tetramethyl-5-oxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-12-yl]prop-2-enoate_17.5\\%
methyl (2E)-3-[18-(acetyloxy)-7-(furan-3-yl)-17-hydroxy-1,8,15,15-tetramethyl-5-oxo-3,6,14-trioxapentacyclo[9.7.0.0²,?.0²,?.0¹²,¹?]octadecan-12-yl]prop-2-enoate
Ala Glu Tyr Tyr
Ala Tyr Glu Tyr
Ala Tyr Tyr Glu
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
Asp Phe Thr Tyr
Asp Phe Tyr Thr
Asp His His His
C22H28N10O7 (544.2142338000001)
Asp Pro Gln Trp
Asp Pro Trp Gln
Asp Gln Pro Trp
Asp Gln Trp Pro
Asp Thr Phe Tyr
Asp Thr Tyr Phe
Asp Trp Pro Gln
Asp Trp Gln Pro
Asp Tyr Phe Thr
Asp Tyr Thr Phe
Glu Ala Tyr Tyr
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 Phe Ser Tyr
Glu Phe Tyr Ser
Glu His Glu Met
Glu His Met Glu
Glu His Pro Tyr
Glu His Tyr Pro
Glu Met Cys Tyr
Glu Met Glu His
Glu Met His Glu
Glu Met Tyr Cys
Glu Asn Pro Trp
Glu Asn Trp Pro
Glu Pro His Tyr
Glu Pro Asn Trp
Glu Pro Trp Asn
Glu Pro Tyr His
Glu Ser Phe Tyr
Glu Ser Tyr Phe
Glu Trp Asn Pro
Glu Trp Pro Asn
Glu Tyr Ala Tyr
Glu Tyr Cys Met
Glu Tyr Phe Ser
Glu Tyr His Pro
Glu Tyr Met Cys
Glu Tyr Pro His
Glu Tyr Ser Phe
Glu Tyr Tyr Ala
Phe Cys Glu Phe
Phe Cys Phe Glu
Phe Asp Thr Tyr
Phe Asp Tyr Thr
Phe Glu Cys Phe
Phe Glu Phe Cys
Phe Glu Ser Tyr
Phe Glu Tyr Ser
Phe Phe Cys Glu
Phe Phe Glu Cys
Phe Ser Glu Tyr
Phe Ser Tyr Glu
Phe Thr Asp Tyr
Phe Tyr Asp Thr
Phe Tyr Glu Ser
Phe Tyr Ser Glu
Phe Tyr Thr Asp
His Asp His His
C22H28N10O7 (544.2142338000001)
His Glu Glu Met
His Glu Met Glu
His Glu Pro Tyr
His Glu Tyr Pro
His His Asp His
C22H28N10O7 (544.2142338000001)
His His His Asp
C22H28N10O7 (544.2142338000001)
His Met Glu Glu
His Pro Glu Tyr
His Pro Tyr Glu
His Tyr Glu Pro
His Tyr Pro 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
Asn Glu Pro Trp
Asn Glu Trp Pro
Asn Pro Glu Trp
Asn Pro Trp Glu
Asn Trp Glu Pro
Asn Trp Pro Glu
Pro Cys Tyr Tyr
Pro Asp Gln Trp
Pro Asp Trp Gln
Pro Glu His Tyr
Pro Glu Asn Trp
Pro Glu Trp Asn
Pro Glu Tyr His
Pro His Glu Tyr
Pro His Tyr Glu
Pro Asn Glu Trp
Pro Asn Trp Glu
Pro Gln Asp Trp
Pro Gln Trp Asp
Pro Trp Asp Gln
Pro Trp Glu Asn
Pro Trp Asn Glu
Pro Trp Gln Asp
Pro Tyr Cys Tyr
Pro Tyr Glu His
Pro Tyr His Glu
Pro Tyr Tyr Cys
Gln Asp Pro Trp
Gln Asp Trp Pro
Gln Pro Asp Trp
Gln Pro Trp Asp
Gln Trp Asp Pro
Gln Trp Pro Asp
Ser Glu Phe Tyr
Ser Glu Tyr Phe
Ser Phe Glu Tyr
Ser Phe Tyr Glu
Ser Tyr Glu Phe
Ser Tyr Phe Glu
Thr Asp Phe Tyr
Thr Asp Tyr Phe
Thr Phe Asp Tyr
Thr Phe Tyr Asp
Thr Met Met Tyr
Thr Met Tyr Met
Thr Tyr Asp Phe
Thr Tyr Phe Asp
Thr Tyr Met Met
Trp Asp Pro Gln
Trp Asp Gln Pro
Trp Glu Asn Pro
Trp Glu Pro Asn
Trp Asn Glu Pro
Trp Asn Pro Glu
Trp Pro Asp Gln
Trp Pro Glu Asn
Trp Pro Asn Glu
Trp Pro Gln Asp
Trp Gln Asp Pro
Trp Gln Pro Asp
Tyr Ala Glu Tyr
Tyr Ala Tyr Glu
Tyr Cys Glu Met
Tyr Cys Met Glu
Tyr Cys Pro Tyr
Tyr Cys Tyr Pro
Tyr Asp Phe Thr
Tyr Asp Thr Phe
Tyr Glu Ala Tyr
Tyr Glu Cys Met
Tyr Glu Phe Ser
Tyr Glu His Pro
Tyr Glu Met Cys
Tyr Glu Pro His
Tyr Glu Ser Phe
Tyr Glu Tyr Ala
Tyr Phe Asp Thr
Tyr Phe Glu Ser
Tyr Phe Ser Glu
Tyr Phe Thr Asp
Tyr His Glu Pro
Tyr His Pro Glu
Tyr Met Cys Glu
Tyr Met Glu Cys
Tyr Met Met Thr
Tyr Met Thr Met
Tyr Pro Cys Tyr
Tyr Pro Glu His
Tyr Pro His Glu
Tyr Pro Tyr Cys
Tyr Ser Glu Phe
Tyr Ser Phe Glu
Tyr Thr Asp Phe
Tyr Thr Phe Asp
Tyr Thr Met Met
Tyr Tyr Ala Glu
Tyr Tyr Cys Pro
Tyr Tyr Glu Ala
Tyr Tyr Pro Cys
GW 627368X
LY293111
Estriol 3-sulfate 16-glucuronide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
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
5,5-dicyano-3-(4-sulfobutyl)-1,1,3-triethylimidacarbocyanine betaine
3-Pyridinecarbonitrile, 5-(2-cyano-4-nitrophenyl)azo-2-(2-hydroxyethyl)amino-4-methyl-6-3-(2-phenoxyethoxy)propylamino-
((2E,4E)-3-METHYL-5-(2,6,6-TRIMETHYLCYCLOHEX-2-EN-1-YL)PENTA-2,4-DIEN-1-YL)TRIPHENYLPHOSPHONIUM BROMIDE
4,4-[4,4-Biphenyldiylbis(phenylimino)]dibenzaldehyde
5-O-Dimethoxytrityl-deoxythymidine
5'-O-DMT-dT (5'-O-(4,4'-Dimethoxytrityl)thymidine) is a nucleoside derivative which can be used in the preparation of oligonucleotides[1].
N2-[4-[[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]-N1,N1-dimethylethanediamide
Lurasidone Inactive Metabolite 14283
C28H37ClN4O3S (544.2274762000001)
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.
Ananolignan I
A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma
Ananolignan H
A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.
4-Epidoxorubicinium
An anthracycline cation resulting from the protonation of the amino group of 4-epidoxorubicin.
19-Z-Gardfloramine-9-O-beta-D-glucopyranoside, (rel)-
A natural product found in Gardneria ovata.
N-cyclohexyl-2-[3-methoxy-N-(1-oxo-2-thiophen-2-ylethyl)-4-(1-tetrazolyl)anilino]-2-(4-methylphenyl)acetamide
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)
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
[1-Butanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] nonanoate
[1-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-pentanoyloxypropan-2-yl] octanoate
[1-Hexanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] heptanoate
[1-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] decanoate
[1-Acetyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] undecanoate
methyl 2-[(1r,2r,5r,6r,13s,14r,16s)-14-(acetyloxy)-6-[(5s)-5-hydroxy-2-oxo-5h-furan-3-yl]-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-10-en-16-yl]acetate
(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(pentan-2-yloxy)oxan-2-yl]methoxy}oxolan-3-yl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
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
2-[(1s,2r,4r,4ar,6r,8r,8as)-4-(acetyloxy)-8-(benzoyloxy)-1-(carboxymethyl)-6-ethenyl-4a-hydroxy-1,6-dimethyl-5-oxo-hexahydronaphthalen-2-yl]-2-methylpropanoic acid
methyl (2r)-2-[(1r,2s,5r,6r,13r,14s,16s)-14-(acetyloxy)-6-(furan-3-yl)-13-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-10-en-16-yl]-2-hydroxyacetate
(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
(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
(1'z,2r,6'r,11'r,13'r,15'r,16'r,19'z,23's,27'r)-23'-acetyl-27'-hydroxy-9'-(hydroxymethyl)-15'-methyl-4',12',17',24'-tetraoxaspiro[oxirane-2,14'-pentacyclo[21.3.1.1¹³,¹⁶.0⁶,¹¹.0⁶,¹⁵]octacosane]-1',9',19'-triene-3',18'-dione
(1r,2s,3r,4s,5s,7s,8s,9s)-4-[(acetyloxy)methyl]-4,5,7,9-tetrahydroxy-8,11,14,14-tetramethyl-16-oxo-15-oxatetracyclo[7.4.3.0¹,¹⁰.0³,⁸]hexadec-10-en-2-yl benzoate
[(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
[(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
3,4-dihydroxy-1,5-bis({[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy})cyclohexane-1-carboxylic acid
(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
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"}
(8r,10s)-1,8,11-trihydroxy-10-[(4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy]-3-methoxy-8-methyl-9,10-dihydro-7h-tetracene-5,12-dione
(2s,4s)-4-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy]-2,5,7-trihydroxy-9-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
(1r,2s,3e,4s,6r)-6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1h-pyrrole-2-carboxylate
3,4',6-trihydroxy-4-(4-hydroxyphenyl)-5-[(3-phenylpropanoyl)oxy]-[1,1'-biphenyl]-2-yl (3r)-3-hydroxybutanoate
(2s,3s,4r)-4-{[(2s,3r,4r,5r,6s)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-3-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
methyl (1r,2r,3s,7s,8s,9s,10s,11s)-1-(chloromethyl)-2-hydroxy-8-{[(2z)-2-(hydroxymethyl)but-2-enoyl]oxy}-6-methylidene-9-[(2-methylpropanoyl)oxy]-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradecane-10-carboxylate
8-{6-[2-(5,7-dimethoxy-2-oxochromen-8-yl)ethenyl]-3,6-dimethylcyclohex-2-en-1-yl}-5,7-dimethoxychromen-2-one
(4r)-4-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy]-2,5,7-trihydroxy-3-methoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
[(3s,4r,5r)-3,4-dihydroxy-5-{[(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(2s)-pentan-2-yloxy]oxan-2-yl]methoxy}oxolan-3-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
4,5-dihydroxy-2-{4-hydroxy-2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy)methyl]phenoxy}-6-(hydroxymethyl)oxan-3-yl benzoate
(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-(4-hydroxy-2-{[(1r)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy]methyl}phenoxy)-6-(hydroxymethyl)oxan-3-yl benzoate
1-ethyl 3-[(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-{[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl]methyl propanedioate
(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-(4-hydroxy-2-{[(1r)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy]methyl}phenoxy)-6-(hydroxymethyl)oxan-4-yl benzoate
(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-{4-hydroxy-2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy)methyl]phenoxy}-6-(hydroxymethyl)oxan-3-yl benzoate
1-ethyl 3-[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl]methyl propanedioate
6-(hexanoyloxy)-2,4',5-trihydroxy-4-(4-hydroxyphenyl)-[1,1'-biphenyl]-3-yl 4-hydroxybenzoate
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
(2r,3s,4r,5r,6s)-4,5-dihydroxy-6-{4-hydroxy-2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy)methyl]phenoxy}-2-(hydroxymethyl)oxan-3-yl benzoate
(1r,3r,4s,5s)-3,4-dihydroxy-1,5-bis({[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy})cyclohexane-1-carboxylic acid
(2s,3s,4r)-4-{[(2s,4s,5r,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
(1r,2s,5r,8s,9r,14r,15r,17r,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 1-(chloromethyl)-2-hydroxy-8-{[2-(hydroxymethyl)but-2-enoyl]oxy}-6-methylidene-9-[(2-methylpropanoyl)oxy]-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradecane-10-carboxylate
{1,5-dihydroxy-19-[(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
1,8,11-trihydroxy-10-[(4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy]-3-methoxy-8-methyl-9,10-dihydro-7h-tetracene-5,12-dione
11,12,16-trimethyl (1r,12s,13r,16s,17s,23r)-18-formyl-12,17-dihydroxy-6,8-dioxa-11,20-diazahexacyclo[14.6.1.0¹,¹³.0²,¹⁰.0⁵,⁹.0²⁰,²³]tricosa-2(10),3,5(9),18-tetraene-11,12,16-tricarboxylate
(1r,3s)-5-(1,9-dihydroxy-8-oxo-6,7-dihydro-5h-anthracen-2-yl)-5,7,9-trimethoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-10-one
3-[3-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-5-methoxy-7-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
[(2r,3s,4r,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
ethyl (1s,3r,4r,5r)-3,4-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylate
1-ethyl 3-(3,4,5-trihydroxy-6-{[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methyl propanedioate
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{4-hydroxy-2-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy)methyl]phenoxy}oxan-2-yl]methyl benzoate
(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl 7-benzoyl-5-(3-methylbut-2-en-1-yl)-10h-phenazine-1-carboxylate
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(1r,15s,16s,19z,20r,22s)-19-(2-methoxyethylidene)-5,7,13-trioxa-11,17-diazaheptacyclo[14.6.1.0¹,¹².0²,¹⁰.0⁴,⁸.0¹⁵,²⁰.0¹⁷,²²]tricosa-2,4(8),9,11-tetraen-3-yl]oxy}oxane-3,4,5-triol
methyl 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
3,4',6-trihydroxy-4-(4-hydroxyphenyl)-5-[(3-phenylpropanoyl)oxy]-[1,1'-biphenyl]-2-yl 3-hydroxybutanoate
3,8,9-trihydroxy-7-{10-hydroxy-7,9-dimethoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-5-yl}-3-methyl-2,4-dihydroanthracen-1-one
10-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-1-methoxy-2,8-dimethyl-9,10-dihydro-7h-tetracene-5,12-dione
methyl (1s,15s,16s,17s,21s)-17-{[(2s,3r,4s,5s,6r)-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
methyl (1s,2r,3s,7s,8s,9s,10s,11r)-1-(chloromethyl)-2-hydroxy-8-{[(2e)-2-(hydroxymethyl)but-2-enoyl]oxy}-9-[(2s)-2-methylbutoxy]-6-methylidene-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradecane-10-carboxylate
methyl 1-(chloromethyl)-2-hydroxy-8-{[2-(hydroxymethyl)but-2-enoyl]oxy}-9-(2-methylbutoxy)-6-methylidene-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradecane-10-carboxylate
(2s)-1-[3-(3-{[(1s)-1-carboxy-2-phenylethyl]carbamoyl}-6-hydroxy-9h-pyrido[3,4-b]indol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
C29H28N4O7 (544.1957898000001)
(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-{2-hydroxy-6-[(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy)methyl]phenoxy}-6-(hydroxymethyl)oxan-3-yl benzoate
[(3s,4r,5r)-3,4-dihydroxy-5-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-[(2s)-pentan-2-yloxy]oxan-2-yl]methoxy}oxolan-3-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
3-(2,3-dihydroxybenzoyloxy)-2-({[2-(2,3-dihydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl](hydroxy)methylidene}amino)-n-{3-[(1-hydroxyethylidene)amino]propyl}propanimidic acid
(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl 7-benzoyl-5-(3-methylbut-2-en-1-yl)-10h-phenazine-1-carboxylate
(9s)-4,6-dimethoxy-8-[2-(3-methoxyphenyl)ethyl]-9-[(3-methoxyphenyl)methyl]-9h-xanthene-2,3,5-triol
6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1h-pyrrole-2-carboxylate
(2r,3s,4s,5r,6s)-4,5-dihydroxy-6-(4-hydroxy-2-{[(1r)-1-hydroxy-6-oxocyclohex-2-ene-1-carbonyloxy]methyl}phenoxy)-2-(hydroxymethyl)oxan-3-yl benzoate
methyl (1s,4as,7as)-7-({[(2e,4e)-5-phenylpenta-2,4-dienoyl]oxy}methyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylate
[(1s,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
6,6'-dimethoxy-4-[4-(3-methoxyphenyl)-1,2-dioxetan-3-yl]-4'-[2-(3-methoxyphenyl)ethyl]-[1,1'-biphenyl]-2,2'-diol
6,6'-dimethoxy-4-[(3r,4r)-4-(3-methoxyphenyl)-1,2-dioxetan-3-yl]-4'-[2-(3-methoxyphenyl)ethyl]-[1,1'-biphenyl]-2,2'-diol
1-(3-{3-[(1-carboxy-2-phenylethyl)carbamoyl]-6-hydroxy-9h-pyrido[3,4-b]indol-1-yl}propanoyl)pyrrolidine-2-carboxylic acid
C29H28N4O7 (544.1957898000001)