Exact Mass: 530.1424196
Exact Mass Matches: 530.1424196
Found 333 metabolites which its exact mass value is equals to given mass value 530.1424196,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
ketoconazole
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02C - Antiadrenal preparations > H02CA - Anticorticosteroids D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives J - Antiinfectives for systemic use > J02 - Antimycotics for systemic use > J02A - Antimycotics for systemic use > J02AB - Imidazole derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065692 - Cytochrome P-450 CYP3A Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C254 - Anti-Infective Agent CONFIDENCE standard compound; INTERNAL_ID 373; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8051; ORIGINAL_PRECURSOR_SCAN_NO 8049 CONFIDENCE standard compound; INTERNAL_ID 373; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8073; ORIGINAL_PRECURSOR_SCAN_NO 8071 CONFIDENCE standard compound; INTERNAL_ID 373; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8091; ORIGINAL_PRECURSOR_SCAN_NO 8089 CONFIDENCE standard compound; INTERNAL_ID 373; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8102; ORIGINAL_PRECURSOR_SCAN_NO 8100 CONFIDENCE standard compound; INTERNAL_ID 373; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8082; ORIGINAL_PRECURSOR_SCAN_NO 8077 CONFIDENCE standard compound; INTERNAL_ID 373; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8103; ORIGINAL_PRECURSOR_SCAN_NO 8101 CONFIDENCE standard compound; INTERNAL_ID 2697 CONFIDENCE Parent Substance (Level 1); INTERNAL_ID 2600 CONFIDENCE standard compound; INTERNAL_ID 8574 CONFIDENCE standard compound; INTERNAL_ID 4100 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3262 Ketoconazole (R-41400) is an imidazole anti-fungal agent, a CYP3A4 and CYP24A1 inhibitor.
Ketoconazole
Ketoconazole is only found in individuals that have used or taken this drug. It is a broad spectrum antifungal agent used for long periods at high doses, especially in immunosuppressed patients. [PubChem]Ketoconazole interacts with 14-α demethylase, a cytochrome P-450 enzyme necessary for the conversion of lanosterol to ergosterol. This results in inhibition of ergosterol synthesis and increased fungal cellular permeability. Other mechanisms may involve the inhibition of endogenous respiration, interaction with membrane phospholipids, inhibition of yeast transformation to mycelial forms, inhibition of purine uptake, and impairment of triglyceride and/or phospholipid biosynthesis. Ketoconazole can also inhibit the synthesis of thromboxane and sterols such as aldosterone, cortisol, and testosterone. Ketoconazole (pronounced /ˌkiːtoʊˈkoʊnəzoʊl/) is a synthetic antifungal drug used to prevent and treat skin and fungal infections, especially in immunocompromised patients such as those with AIDS. Ketoconazole is sold commercially as an anti-dandruff shampoo. Ketoconazole is very lipophilic, which leads to accumulation in fatty tissues. The less toxic and more effective triazole compounds fluconazole and itraconazole have largely replaced ketoconazole for internal use. Ketoconazole is best absorbed at highly acidic levels, so antacids or other causes of decreased stomach acid levels will lower the drugs absorption when taken orally. -Wikipedia [HMDB] G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02C - Antiadrenal preparations > H02CA - Anticorticosteroids D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives J - Antiinfectives for systemic use > J02 - Antimycotics for systemic use > J02A - Antimycotics for systemic use > J02AB - Imidazole derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065692 - Cytochrome P-450 CYP3A Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C254 - Anti-Infective Agent Ketoconazole (R-41400) is an imidazole anti-fungal agent, a CYP3A4 and CYP24A1 inhibitor.
3-Caffeoyl-4-feruloylquinic acid
3-Caffeoyl-4-feruloylquinic acid is found in citrus. 3-Caffeoyl-4-feruloylquinic acid is a constituent of the peel Citrus reticulata (mandarin). Constituent of the peel Citrus reticulata (mandarin). 3-Caffeoyl-4-feruloylquinic acid is found in citrus.
4-O-Caffeoyl-3-O-feruloylquinic acid
4-O-Caffeoyl-3-O-feruloylquinic acid is found in coffee and coffee products. 4-O-Caffeoyl-3-O-feruloylquinic acid is a constituent of coffee beans. Constituent of coffee beans. 3-Feruloyl-4-caffeoylquinic acid is found in coffee and coffee products.
Formononetin 7-(6'-methylmalonylglucoside)
Formononetin 7-(6-methylmalonylglucoside) is found in herbs and spices. Formononetin 7-(6-methylmalonylglucoside) is isolated from leaves of Trifolium pratense (red clover
1-Caffeoyl-5-feruloylquinic acid
1-Caffeoyl-5-feruloylquinic acid is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
1-Feruloyl-5-caffeoylquinic acid
1-Feruloyl-5-caffeoylquinic acid is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
(2S,4S)-Ketoconazole
N-Acetyl-Asp-Glu-Val-Asp-CHO
Icariside I
Macrocycle
curcumin monoglucoside
Curcumin monoglucoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Curcumin monoglucoside can be found in a number of food items such as acerola, other bread, shallot, and jujube, which makes curcumin monoglucoside a potential biomarker for the consumption of these food products.
Icariin I
Icariside I is a natural product found in Epimedium pubescens, Epimedium grandiflorum, and other organisms with data available. Icariside I is a metabolite of Icarlin, which could regulate bone remodeling and is recognized as an effective agent for the treatment of osteoporosis. Icariside I is a metabolite of Icarlin, which could regulate bone remodeling and is recognized as an effective agent for the treatment of osteoporosis.
Icarisid
Icariside I is a natural product found in Epimedium pubescens, Epimedium grandiflorum, and other organisms with data available. Icariside I is a metabolite of Icarlin, which could regulate bone remodeling and is recognized as an effective agent for the treatment of osteoporosis. Icariside I is a metabolite of Icarlin, which could regulate bone remodeling and is recognized as an effective agent for the treatment of osteoporosis.
Isoswertisin 2-O-(2-methylbutyrate)
Macranthoin G
A methyl ester resulting from the formal condensation of the carboxy group of 3,5-di-O-caffeoyl quinic acid with methanol. Isolated from Suaeda glauca and Dichrocephala bicolor, it exhibits hepatoprotective activity.
Caohuoside C
Luteolin 7-glucoside-4-(Z-2-methyl-2-butenoate)
Icariside I
Icariside I is a metabolite of Icarlin, which could regulate bone remodeling and is recognized as an effective agent for the treatment of osteoporosis. Icariside I is a metabolite of Icarlin, which could regulate bone remodeling and is recognized as an effective agent for the treatment of osteoporosis.
3-[bis(3,4-methylenedioxyphenyl)methyl]-4-(beta-D-glucopyranosyloxy-methyl)-2(5H)-furanone|juspurpurin
5,2,6-trihydroxy-7-methoxyflavone-2-O-(6-O-trans-crotonyl-beta-D-glucopyranoside)
2,2-di-(2-phenylethyl)-8,6-dihydroxy-5,5-bichromone
matsudone A
A glycosyloxyflavone that is 5,3,4-trihydroxyflavone substituted by a beta-D-glucopyranosyloxy group at position 3 and a 2,2-dimethylpyrano ring fused across positions 7 and 8. Isolated from the leaves of Salix matsudana, it acts as a cyclooxygenase 2 inhibitor.
2,2-Di-(2-phenylethyl)-8,6-dihydroxy-5,5-bichromone (AH11)|6,8-Dihydroxy-2,2-bis(2-phenylethyl)[5,5-bi-4H-1-benzopyranl]-4,4-dione
6-O-malonyl-3-O-beta-D-glucopyranosyl-6,6a-dehydromaackiain
3,4-Di-O-caffeoylquinic acid methyl ester
methyl (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate is a natural product found in Vitex quinata, Petasites japonicus, and other organisms with data available.
(2S,3R,4R)-3,4?,7-trihydroxyflavon-(4beta?8)-epicatechin
quercetin-3-O-(2-O-tigloyl)-alpha-L-rhamnopyranoside
quercetin-3-O-(3-O-tigloyl)-alpha-L-rhamnopyranoside
5-hydroxy-6-methoxy-2-methylchromone-7-O-rutinoside
A disaccharide derivative that consists of 5,7-dihydroxy-6-methoxy-2-methylchromone substituted by a rutinosyl group at position 7 via a glycosidic linkage. Isolated from Crossosoma bigelovii, it exhibits antineoplastic activity.
5,3-dihydroxy-4-O-angeloxyflavone-7-O-beta-D-glucopyranoside|5,3-dihydroxy-4-O-angeloylflavone-7-O-beta-D-glucopyranoside|luteolin-7-O-beta-D-glucopyranoside
Thermopsoside, crotonoyl
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.154 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.155 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.150
(1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
Cys Asp Phe Phe
Cys Asp Met Tyr
Cys Asp Tyr Met
Cys Phe Asp Phe
Cys Phe Phe Asp
Cys Phe Met Met
Cys Met Asp Tyr
Cys Met Phe Met
Cys Met Met Phe
Cys Met Tyr Asp
Cys Tyr Asp Met
Cys Tyr Met Asp
Asp Cys Phe Phe
Asp Cys Met Tyr
Asp Cys Tyr Met
Asp Glu His Met
Asp Glu Met His
Asp Phe Cys Phe
Asp Phe Phe Cys
Asp His Glu Met
Asp His Met Glu
Asp Met Cys Tyr
Asp Met Glu His
Asp Met His Glu
Asp Met Tyr Cys
Asp Tyr Cys Met
Asp Tyr Met Cys
Glu Asp His Met
Glu Asp Met His
Glu His Asp Met
Glu His Met Asp
Glu Met Asp His
Glu Met His Asp
Phe Cys Asp Phe
Phe Cys Phe Asp
Phe Cys Met Met
Phe Asp Cys Phe
Phe Asp Phe Cys
Phe Phe Cys Asp
Phe Phe Asp Cys
Phe Met Cys Met
Phe Met Met Cys
His Asp Glu Met
His Asp Met Glu
His Glu Asp Met
His Glu Met Asp
His Met Asp Glu
His Met Glu Asp
Met Cys Asp Tyr
Met Cys Phe Met
Met Cys Met Phe
Met Cys Tyr Asp
Met Asp Cys Tyr
Met Asp Glu His
Met Asp His Glu
Met Asp Tyr Cys
Met Glu Asp His
Met Glu His Asp
Met Phe Cys Met
Met Phe Met Cys
Met His Asp Glu
Met His Glu Asp
Met Met Cys Phe
Met Met Phe Cys
Met Met Ser Tyr
C22H34N4O7S2 (530.1868814000001)
Met Met Tyr Ser
C22H34N4O7S2 (530.1868814000001)
Met Ser Met Tyr
C22H34N4O7S2 (530.1868814000001)
Met Ser Tyr Met
C22H34N4O7S2 (530.1868814000001)
Met Tyr Cys Asp
Met Tyr Asp Cys
Met Tyr Met Ser
C22H34N4O7S2 (530.1868814000001)
Met Tyr Ser Met
C22H34N4O7S2 (530.1868814000001)
Ser Met Met Tyr
C22H34N4O7S2 (530.1868814000001)
Ser Met Tyr Met
C22H34N4O7S2 (530.1868814000001)
Ser Tyr Met Met
C22H34N4O7S2 (530.1868814000001)
Tyr Cys Asp Met
Tyr Cys Met Asp
Tyr Asp Cys Met
Tyr Asp Met Cys
Tyr Met Cys Asp
Tyr Met Asp Cys
Tyr Met Met Ser
C22H34N4O7S2 (530.1868814000001)
Tyr Met Ser Met
C22H34N4O7S2 (530.1868814000001)
Tyr Ser Met Met
C22H34N4O7S2 (530.1868814000001)
Formononetin 7-(6''-methylmalonylglucoside)
4-O-Caffeoyl-3-O-feruloylquinic acid
3-Caffeoyl-4-feruloylquinic acid
1-Caffeoyl-5-feruloylquinic acid
A quinic acid that is (-)-quinic acid acylated at positions 1 and 5 by caffeoyl and feruloyl groups respectively.
1-Feruloyl-5-caffeoylquinic acid
SODIUM 2-(DICYCLOHEXYLPHOSPHINO)-2,6-DIMETHOXY-[1,1-BIPHENYL]-3-SULFONATE HYDRATE
6-(diethylamino)-2-[[3-(trifluoromethyl)phenyl]amino]spiro[isobenzofuran-1(3H),9-[9H]xanthene]-3-one
CHLORO[2-(DI-T-BUTYLPHOSPHINO)BIPHENYL]GOLD(I)
C20H27AuClP (530.1204402000001)
sodium 5-tert-butyl-2-[[9,10-dihydro-8-hydroxy-4-(isopropylamino)-9,10-dioxoanthryl]amino]benzenesulphonate
Chloro[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]silver
2-(2-[4-(3-BENZYLOXY-PHENYLSULFANYL)-2-CHLORO-PHENYL]-ETHYL)-2-FLUORO-MALONIC ACID DIETHYL ESTER
C28H28ClFO5S (530.1329920000001)
Radotinib
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor
2-DICYCLOHEXYLPHOSPHINO-2,6-DIMETHOXY-3-SULFONATO-1,1-BIPHENYL HYDRATE SODIUM SALT
luteolin 7-O-beta-D-glucoside-4-(Z-2-methyl-2-butenoate)
An enoate ester obtained by the formal condensation of the 4-hydroxy group of luteolin 7-O-beta-D-glucoside with the carboxy group of angelic acid.
dTDP-beta-L-daunosamine(1-)
A nucleotide-sugar oxoanion that is the conjugate base of dTDP-beta-L-daunosamine, arising from deprotonation of the diphosphate group and protonation of the amino group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
dTDP-3-azaniumyl-3,4,6-trideoxy-alpha-D-glucose(1-)
[(2R,4R,5R,6S)-4-azaniumyl-5-hydroxy-6-methyloxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate
AMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5-phosphoramidate
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2-amino-3-[[(E)-4-amino-4-oxobut-2-enoyl]amino]propanoate
(1E,4Z,6E)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]hepta-1,4,6-trien-3-one
2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
biochanin A 7-O-beta-D-glucoside 6-O-malonate(2-)
C25H22O13-2 (530.1060362000001)
1-(2-Oxo-2-phenylethyl)tetrahydrothiophenium 4-oxo-1-adamantyloxycarbonyldifluoromethanesulfonate
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
7-[(3S)-(3-amino-3-methoxycarbonyl)propyl]wyosine 5-phosphate
4-[6-(Ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzene-1,3-disulfonic acid
C25H26N2O7S2 (530.1181366000001)
(1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
19-acetyl-13,21-dihydroxy-7,9,14,20-tetramethoxy-17-methylhexacyclo[13.8.0.0²,¹¹.0³,⁸.0⁴,²².0¹⁸,²³]tricosa-1(23),2(11),3,7,9,14,17,19,21-nonaene-5,12-dione
(7r,8r)-9-(2,6-dihydroxyphenyl)-8-[(2r)-4-(2,6-dihydroxyphenyl)-4-oxobutan-2-yl]-3,4,6-trihydroxy-7-methyl-7,8-dihydrophenalen-1-one
(2s,3r,4s,5s,6r)-2-{[4-(2h-1,3-benzodioxol-5-yl)-2-(hydroxymethyl)-6,7-dimethoxy-3-methylnaphthalen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(8r,10s)-6,8,11-trihydroxy-1-methoxy-2,8-dimethyl-10-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-9,10-dihydro-7h-tetracene-5,12-dione
8-[3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
methyl (3r,5r)-3,5-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylate
(1'r,2s,3'r,8'r,19'e,21'z,25'r,26's)-14',26'-dimethyl-11',18',23'-trioxo-2',10',13',17',24'-pentaoxaspiro[oxirane-2,27'-pentacyclo[23.2.1.0³,⁸.0⁸,²⁶.0¹²,¹⁴]octacosane]-4',19',21'-triene-5'-carboxylic acid
(2r,3s)-6-[(2r,3s,4s)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
(1s,15s,16r,17r,21r)-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-carboxylic acid
9-(2,6-dihydroxyphenyl)-8-[4-(2,6-dihydroxyphenyl)-4-oxobutan-2-yl]-3,4,6-trihydroxy-7-methyl-7,8-dihydrophenalen-1-one
(1s,3r,4r,5r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4-dihydroxy-5-{[(2e)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
5-hydroxy-6-methoxy-2-methyl-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]chromen-4-one
(1r,4s,5r,6s)-6-(acetyloxy)-4-(benzoyloxy)-5-[(benzoyloxy)methyl]-5-hydroxycyclohex-2-en-1-yl benzoate
(2r,3r)-8-[(2r,3s,4r)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
(2r,3r)-2-(3,4-dihydroxyphenyl)-8-[(2s,4r)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
(2r,3r)-2-(3,4-dihydroxyphenyl)-6-[(2s,4s)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
methyl 1-(chloromethyl)-2-hydroxy-8-{[2-(hydroxymethyl)but-2-enoyl]oxy}-6-methylidene-5-oxo-9-(sec-butoxy)-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradecane-10-carboxylate
2,2'-di-(2-phenylethyl)-8,6'-dihydroxy-5,5'-bi-chromone (ah11)
{"Ingredient_id": "HBIN003692","Ingredient_name": "2,2'-di-(2-phenylethyl)-8,6'-dihydroxy-5,5'-bi-chromone (ah11)","Alias": "2,2'-di-(2-phenylethyl)-8,6'-dihydroxy-5,5'-bi-chromone(ah11); 2,2'-di-(2-phenylethyl)-8,6'-dihydroxy-5,5'-bichromone (ah11); 8-hydroxy-5-(6-hydroxy-4-oxo-2-phenethylchromen-5-yl)-2-phenethylchromen-4-one; AC1NSUX5; 2,2'-di-(2-phenylethyl)-8,6'-dihydroxy-5,5'-bichromone(ah11)","Ingredient_formula": "C34H26O6","Ingredient_Smile": "C1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C=CC(=C3C4=C5C(=O)C=C(OC5=C(C=C4)O)CCC6=CC=CC=C6)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15194;SMIT18977","TCMID_id": "6485;25822","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4,5-di-O-caffeoylquinic acid methyl ester
{"Ingredient_id": "HBIN010034","Ingredient_name": "4,5-di-O-caffeoylquinic acid methyl ester","Alias": "4,5-di-O-caffeoyl quinic acid methyl ester","Ingredient_formula": "C26H26O12","Ingredient_Smile": "COC(=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": "530.5 g/mol","OB_score": "1.727368517","CAS_id": "NA","SymMap_id": "SMIT05211","TCMID_id": "42168","TCMSP_id": "MOL003077","TCM_ID_id": "NA","PubChem_id": "10052718","DrugBank_id": "NA"}
4-dicaffeoylquinic acid methyl ester
{"Ingredient_id": "HBIN010326","Ingredient_name": "4-dicaffeoylquinic acid methyl ester","Alias": "NA","Ingredient_formula": "C26H26O12","Ingredient_Smile": "COC(=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": "37454","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6,7-dihydroxy-3-methoxy-8-[2-oxo-2h-1-benzo-pyran-7-(o-β-d-glucopyranosyl)-8-yl]-2h-1-benzopyran-2-one
{"Ingredient_id": "HBIN012070","Ingredient_name": "6,7-dihydroxy-3-methoxy-8-[2-oxo-2h-1-benzo-pyran-7-(o-\u03b2-d-glucopyranosyl)-8-yl]-2h-1-benzopyran-2-one","Alias": "NA","Ingredient_formula": "C25H22O13","Ingredient_Smile": "COC1=CC2=CC(=C(C(=C2OC1=O)C3=C(C=CC4=C3OC(=O)C=C4)OC5C(C(C(C(O5)CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5994","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(8r,10s)-10-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy]-1,8,11-trihydroxy-3-methoxy-8-methyl-9,10-dihydro-7h-tetracene-5,12-dione
4-[(2s,3r,4s,5s)-4-(2,4-dihydroxybenzoyl)-3-[(r)-hydroxy(4-hydroxyphenyl)methyl]-5-(4-hydroxyphenyl)oxolan-2-yl]benzene-1,3-diol
10,15,16-trihydroxy-8-methoxy-3-methyl-1,9,14-trioxo-3,4,6,7-tetrahydro-2-oxahexaphen-7-yl acetate
(1s,4ar,5s,6r,7s,7as)-6,7-dihydroxy-7-(hydroxymethyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl 4-hydroxy-3-methoxybenzoate
(2s,3r,4s,5s,6r)-2-(2-{[(1s,6s)-1,6-dihydroxycyclohex-2-ene-1-carbonyloxy]methyl}phenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl benzoate
methyl 3,4-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,2-dihydroxycyclohexane-1-carboxylate
3-[(7-{[(2r,3r,4s,5s,6s)-3,4-dihydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy}-3-(4-methoxyphenyl)-4-oxochromen-2-yl)oxy]-3-oxopropanoic acid
methyl 3,5-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylate
(1s,8r,9s,12r,13r,14r,15r,16s)-15-chloro-8-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-13,14-dihydroxy-6-isopropyl-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2,6-diene-4,11-dione
(2r,3s)-8-[(2r,3s,4s)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
4-{[(2s)-3-hydroxy-2-{[hydroxy({2-hydroxy-3-[(hydroxymethylidene)amino]phenyl})methylidene]amino}butanoyl]oxy}-2-methyl-3-[(2-phenylacetyl)oxy]pentanoic acid
6-(3,5-dihydroxyphenyl)-5-(4-hydroxy-3-methoxyphenyl)-12-(4-hydroxyphenyl)-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,7-triene-8,11-diol
(2r,3r)-2-(3,4-dihydroxyphenyl)-8-[(2s,4s)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
(3s,4s)-3-{[4-(acetyloxy)-3,5-dimethoxyphenyl]methyl}-4-{[4-(acetyloxy)-3-methoxyphenyl]methyl}-2-oxooxolan-3-yl acetate
methyl 1,3-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylate
(1s,3s,4r,5s)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4-dihydroxy-5-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[3-hydroxy-2-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenoxy]oxan-2-yl]methyl (2e)-but-2-enoate
3-oxo-3-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-{8-oxo-2h-[1,3]dioxolo[4,5-g]chromen-7-yl}phenoxy)oxan-2-yl]methoxy}propanoic acid
(2r,3r)-8-[(2r,3s,4s)-3,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
methyl 3,4-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylate
3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4-dihydroxy-5-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
methyl (1s,3s,4s,5r)-1,3-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4,5-dihydroxycyclohexane-1-carboxylate
methyl (1r,2s,3s,4r)-2,3-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylate
methyl (1r,2s,3r,4r)-3,4-bis({[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,2-dihydroxycyclohexane-1-carboxylate
15-(furan-3-yl)-3,10,20-trihydroxy-2,7,14,20-tetramethyl-5,13-dioxo-6,11,18-trioxahexacyclo[10.8.0.0²,¹⁰.0³,⁷.0¹⁴,¹⁹.0¹⁷,¹⁹]icos-8-en-4-yl acetate
(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methyl but-2-enoate
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl]methyl (2e)-but-2-enoate
(7s,8s)-9-(2,6-dihydroxyphenyl)-8-[(2s)-4-(2,6-dihydroxyphenyl)-4-oxobutan-2-yl]-3,4,6-trihydroxy-7-methyl-7,8-dihydrophenalen-1-one
15-chloro-8-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-13,14-dihydroxy-6-isopropyl-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2,6-diene-4,11-dione
4-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2h-1-benzopyran-6-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,7-diol
(2r,3r)-5,6,8-trihydroxy-2,3-dimethyl-9-{4,5,6-trihydroxy-2-methyl-8-oxocyclohexa[g]chromen-9-yl}-2h,3h-naphtho[2,3-b]pyran-4-one
2-(3,4-dihydroxyphenyl)-8-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
(1s,3s,4r,5s)-4-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,3-dihydroxy-5-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
2-(3,4-dihydroxyphenyl)-6-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-yl]-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
6-(acetyloxy)-4-(benzoyloxy)-5-[(benzoyloxy)methyl]-5-hydroxycyclohex-2-en-1-yl benzoate
2-{[(5-hydroxy-4-oxo-2-phenyl-2,3-dihydro-1-benzopyran-7-yl)oxy](phenyl)methyl}-5-oxo-tetrahydro-2h-furo[3,2-b]furan-3-yl acetate
(5r,6r,11s,12r)-6-(3,5-dihydroxyphenyl)-5-(4-hydroxy-3-methoxyphenyl)-12-(4-hydroxyphenyl)-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,7-triene-8,11-diol
methyl 2,3-bis({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylate
14',26'-dimethyl-11',18',23'-trioxo-2',10',13',17',24'-pentaoxaspiro[oxirane-2,27'-pentacyclo[23.2.1.0³,⁸.0⁸,²⁶.0¹²,¹⁴]octacosane]-4',19',21'-triene-5'-carboxylic acid
4,5-dihydroxy-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,10-dioxatricyclo[5.3.1.0⁴,⁸]undecan-6-yl 4-hydroxy-3-methoxybenzoate
6,7-dihydroxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-5-yl 4-hydroxy-3-methoxybenzoate
3-[bis(2h-1,3-benzodioxol-5-yl)methyl]-4-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5h-furan-2-one
(2r,3r,3ar,6ar)-2-[(s)-{[(2s)-5-hydroxy-4-oxo-2-phenyl-2,3-dihydro-1-benzopyran-7-yl]oxy}(phenyl)methyl]-5-oxo-tetrahydro-2h-furo[3,2-b]furan-3-yl acetate
5-hydroxy-6-methoxy-2-methyl-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one
3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4-dihydroxy-5-{[3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
(1r,4s,5r,6s,7r,8s,9s)-4,5-dihydroxy-9-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,10-dioxatricyclo[5.3.1.0⁴,⁸]undecan-6-yl 4-hydroxy-3-methoxybenzoate
(11s,12r)-6-(3,5-dihydroxyphenyl)-5-(4-hydroxy-3-methoxyphenyl)-12-(4-hydroxyphenyl)-4,13-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,7-triene-8,11-diol
(2s,3r,4s,5s,6r)-2-(2,4-dichloro-5-methoxy-3-methylphenoxy)-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
C20H28Cl2O12 (530.0957748000001)