Exact Mass: 530.1835
Exact Mass Matches: 530.1835
Found 500 metabolites which its exact mass value is equals to given mass value 530.1835
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Gomisin D
Gomisin D is a natural product found in Schisandra chinensis with data available. Gomisin D, a lignan compound isolated from Fructus Schisandra, is a potential antidiabetic and anti-Alzheimer’s agent. Gomisin D inhibits UDP-Glucuronosyltransferases activity and scavenges ABTS(+) radicals. Gomisin D is used as a quality marker of Shengmai San and shenqi Jiangtang Granule[1]. Gomisin D, a lignan compound isolated from Fructus Schisandra, is a potential antidiabetic and anti-Alzheimer’s agent. Gomisin D inhibits UDP-Glucuronosyltransferases activity and scavenges ABTS(+) radicals. Gomisin D is used as a quality marker of Shengmai San and shenqi Jiangtang Granule[1].
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.
Artonin Q
Artonin Q is found in fruits. Artonin Q is a constituent of the bark of Artocarpus heterophyllus (jackfruit). Constituent of the bark of Artocarpus heterophyllus (jackfruit). Artonin Q is found in fruits.
7-Acetoxy-6-hydroxylimonin
7-Acetoxy-6-hydroxylimonin is found in herbs and spices. 7-Acetoxy-6-hydroxylimonin is a constituent of Ruta graveolens (rue). Constituent of Ruta graveolens (rue). 7-Acetoxy-6-hydroxylimonin is found in herbs and spices.
(2S,4S)-Ketoconazole
N-Acetyl-Asp-Glu-Val-Asp-CHO
Icariside I
Macrocycle
Peliglitazar
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.
Gomisin
Gomisin D is a natural product found in Schisandra chinensis with data available. Gomisin D, a lignan compound isolated from Fructus Schisandra, is a potential antidiabetic and anti-Alzheimer’s agent. Gomisin D inhibits UDP-Glucuronosyltransferases activity and scavenges ABTS(+) radicals. Gomisin D is used as a quality marker of Shengmai San and shenqi Jiangtang Granule[1]. Gomisin D, a lignan compound isolated from Fructus Schisandra, is a potential antidiabetic and anti-Alzheimer’s agent. Gomisin D inhibits UDP-Glucuronosyltransferases activity and scavenges ABTS(+) radicals. Gomisin D is used as a quality marker of Shengmai San and shenqi Jiangtang Granule[1].
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)
Caohuoside C
Eriosemaone C
An extended flavonoid that consists of (2S)-flavanone substituted by hydroxy groups at positions 2, 3, and 6, a 2,4-dihyroxyphenyl group at position 5, a prenyl group at position 8 and a gem-dimethylpyran ring fused across positions 6 and 7.
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.
2,2-di-(2-phenylethyl)-8,6-dihydroxy-5,5-bichromone
(2R,3R),(2S,3S)-2,3-divanillyl-1,4-butandiol tetraacetate|Secoisolarcinoltetraacetat|Tetra-Ac-Secoisolariciresinol
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
Taiwanschirin D
An organic heterotetracyclic compound isolated from the stems of Kadsura matsudai.
{6-O-[(4-oxo-4H-pyran-3-yloxy)-O-beta?D-glucopyranosyl]}-4-hydroxy-3,5-bis(3-methyl-2-butenyl)benzoate
(2S,3R,4R)-3,4?,7-trihydroxyflavon-(4beta?8)-epicatechin
(+)-(2E)-1-[(6aSR,12aRS)-9-acetyl-6a,6,7,12a-tetrahydro-1,3,8,10-tetrahydroxy-2,6,6,11-tetramethyl[1]benzopyrano[4,3-b][1]benzopyran-4-yl]-3-phenylprop-2-en-1-onekamalachalcone C
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.
Phe Ser Tyr Asp
Ala Asp Tyr Tyr
Ala Phe Met Tyr
Ala Phe Tyr Met
Ala Met Phe Tyr
Ala Met Tyr Phe
Ala Tyr Asp Tyr
Ala Tyr Phe Met
Ala Tyr Met Phe
Ala Tyr Tyr Asp
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 Phe Val Tyr
Cys Phe Tyr Val
Cys Met Asp Tyr
Cys Met Phe Met
Cys Met Met Phe
Cys Met Tyr Asp
Cys Val Phe Tyr
Cys Val Tyr Phe
Cys Tyr Asp Met
Cys Tyr Phe Val
Cys Tyr Met Asp
Cys Tyr Val Phe
Asp Ala Tyr Tyr
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 Phe Ser Tyr
Asp Phe Tyr Ser
Asp His Glu Met
Asp His Met Glu
Asp His Pro Tyr
Asp His Tyr Pro
Asp Met Cys Tyr
Asp Met Glu His
Asp Met His Glu
Asp Met Tyr Cys
Asp Asn Pro Trp
Asp Asn Trp Pro
Asp Pro His Tyr
Asp Pro Asn Trp
Asp Pro Trp Asn
Asp Pro Tyr His
Asp Ser Phe Tyr
Asp Ser Tyr Phe
Asp Trp Asn Pro
Asp Trp Pro Asn
Asp Tyr Ala Tyr
Asp Tyr Cys Met
Asp Tyr Phe Ser
Asp Tyr His Pro
Asp Tyr Met Cys
Asp Tyr Pro His
Asp Tyr Ser Phe
Asp Tyr Tyr Ala
Glu Asp His Met
Glu Asp Met His
Glu Gly Tyr Tyr
Glu His Asp Met
Glu His Met Asp
Glu Met Asp His
Glu Met His Asp
Glu Tyr Gly Tyr
Glu Tyr Tyr Gly
Phe Ala Met Tyr
Phe Ala Tyr Met
Phe Cys Asp Phe
Phe Cys Phe Asp
Phe Cys Met Met
Phe Cys Val Tyr
Phe Cys Tyr Val
Phe Asp Cys Phe
Phe Asp Phe Cys
Phe Asp Ser Tyr
Phe Asp Tyr Ser
Phe Phe Cys Asp
Phe Phe Asp Cys
Phe Phe Met Ser
Phe Phe Ser Met
Phe Met Ala Tyr
Phe Met Cys Met
Phe Met Phe Ser
Phe Met Met Cys
Phe Met Ser Phe
Phe Met Tyr Ala
Phe Ser Asp Tyr
Phe Ser Phe Met
Phe Ser Met Phe
Phe Val Cys Tyr
Phe Val Tyr Cys
Phe Tyr Ala Met
Phe Tyr Cys Val
Phe Tyr Asp Ser
Phe Tyr Met Ala
Phe Tyr Ser Asp
Gly Glu Tyr Tyr
Gly Tyr Glu Tyr
Gly Tyr Tyr Glu
His Asp Glu Met
His Asp Met Glu
His Asp Pro Tyr
His Asp Tyr Pro
His Glu Asp Met
His Glu Met Asp
His Met Asp Glu
His Met Glu Asp
His Pro Asp Tyr
His Pro Tyr Asp
His Tyr Asp Pro
His Tyr Pro 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
Met Met Tyr Ser
Met Ser Met Tyr
Met Ser Tyr Met
Met Tyr Cys Asp
Met Tyr Asp Cys
Met Tyr Met Ser
Met Tyr Ser Met
Asn Asp Pro Trp
Asn Asp Trp Pro
Asn Pro Asp Trp
Asn Pro Trp Asp
Asn Trp Asp Pro
Asn Trp Pro Asp
Pro Asp His Tyr
Pro Asp Asn Trp
Pro Asp Trp Asn
Pro Asp Tyr His
Pro His Asp Tyr
Pro His Tyr Asp
Pro Asn Asp Trp
Pro Asn Trp Asp
Pro Trp Asp Asn
Pro Trp Asn Asp
Pro Tyr Asp His
Pro Tyr His Asp
Ser Asp Phe Tyr
Ser Asp Tyr Phe
Ser Phe Asp Tyr
Ser Phe Tyr Asp
Ser Met Met Tyr
Ser Met Tyr Met
Ser Tyr Asp Phe
Ser Tyr Phe Asp
Ser Tyr Met Met
Trp Asp Asn Pro
Trp Asp Pro Asn
Trp Asn Asp Pro
Trp Asn Pro Asp
Trp Pro Asp Asn
Trp Pro Asn Asp
Tyr Ala Asp Tyr
Tyr Ala Tyr Asp
Tyr Cys Asp Met
Tyr Cys Met Asp
Tyr Asp Ala Tyr
Tyr Asp Cys Met
Tyr Asp Phe Ser
Tyr Asp His Pro
Tyr Asp Met Cys
Tyr Asp Pro His
Tyr Asp Ser Phe
Tyr Asp Tyr Ala
Tyr Glu Gly Tyr
Tyr Glu Tyr Gly
Tyr Phe Asp Ser
Tyr Phe Ser Asp
Tyr Gly Glu Tyr
Tyr Gly Tyr Glu
Tyr His Asp Pro
Tyr His Pro Asp
Tyr Met Cys Asp
Tyr Met Asp Cys
Tyr Met Met Ser
Tyr Met Ser Met
Tyr Pro Asp His
Tyr Pro His Asp
Tyr Ser Asp Phe
Tyr Ser Phe Asp
Tyr Ser Met Met
Tyr Tyr Ala Asp
Tyr Tyr Asp Ala
Tyr Tyr Glu Gly
Tyr Tyr Gly Glu
7-Acetoxy-6-hydroxylimonin
SODIUM 2-(DICYCLOHEXYLPHOSPHINO)-2,6-DIMETHOXY-[1,1-BIPHENYL]-3-SULFONATE HYDRATE
2-(chloromethyl)oxirane,formaldehyde,4-[2-(4-hydroxyphenyl)propan-2-yl]phenol,2-methylprop-2-enoic acid,phenol
6-(diethylamino)-2-[[3-(trifluoromethyl)phenyl]amino]spiro[isobenzofuran-1(3H),9-[9H]xanthene]-3-one
AC480 (BMS-599626)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
1-(5-O-(DIMETHOXYTRITYL)-BETA-D-2-DEOXYRIBOFURANOSYL)-3-NITROPYRROLE
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
5-O-(4,4-Dimethoxytrityl)-2-deoxyuridine
5'-O-(4,4'-Dimethoxytrityl)-2'-deoxyuridine (5'-O-DMT-dU) is a competitive inhibitor of E. coli dUTP nucleotidohydrolase (dUTPase), with the Ki higher than 1000 μM. 5'-O-(4,4'-Dimethoxytrityl)-2'-deoxyuridine can be used in machine-assisted DNA synthesis by synthesizing nucleosidic phosphoramidite blocks[1][2].
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
[(2R)-2-hexanoyloxy-3-[hydroxy-[(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] hexanoate
13-Dihydrodaunorubicin(1+)
An organic cation that is the conjugate acid of 13-dihydrodaunorubicin, obtained by protonation of the primary amino function.
AMP-N-epsilon-(N-alpha-acetyl lysine methyl ester) 5-phosphoramidate
(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
Ananolignan G
A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.
1-(3-Carboxypropyl)-9-(dimethylamino)-2,2,4,11,11-pentamethyl-2,11-dihydronaphtho[2,3-g]quinolinium perchlorate
(2S)-2-[(4S,5S)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide
N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-cyclohexylacetamide
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
(2R)-2-[(4S,5S)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4R,5R)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide
N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
(2S)-2-[(4R,5S)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4S,5R)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4R,5S)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4R,5R)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4S,5R)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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-cyclohexylacetamide
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-cyclohexylacetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide
N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
(1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-methylsulfonyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]carboxamide
(1R)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-methylsulfonyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]carboxamide
7-[(3S)-(3-amino-3-methoxycarbonyl)propyl]wyosine 5-phosphate
(2R,4S,5R,6R)-2-[(2R,3R,4R,5S)-5-Acetamido-2,3,4,6-tetrahydroxyhexoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
[2-Hexanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] hexanoate
[1-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-pentanoyloxypropan-2-yl] heptanoate
[1-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] nonanoate
[1-Butanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] octanoate
[1-Acetyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] decanoate
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
11'-(furan-3-yl)-6',8'-dihydroxy-2,2,2',6',10'-pentamethyl-6,13'-dioxo-12',15'-dioxaspiro[pyran-3,5'-tetracyclo[8.5.0.0¹,¹⁴.0²,⁷]pentadecan]-3'-yl acetate
(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)-3-[4-(acetyloxy)-3-methoxyphenyl]-2-[2-(acetyloxy)-5-[3-(acetyloxy)propyl]-3-methoxyphenyl]propyl acetate
(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
(4r,5z,7s,8r,9s)-4-(2-methoxy-2-oxoacetyl)-5-(2-methoxy-2-oxoethylidene)-7,8-dimethyl-2,13,15-trioxatetracyclo[8.6.1.0⁴,¹⁷.0¹²,¹⁶]heptadeca-1(17),10,12(16)-trien-9-yl hexanoate
(1s,2r,6r,7r,10r,11s,16s,18s,19r,20r)-6-(furan-3-yl)-19,20-dihydroxy-7,17,17-trimethyl-4,14-dioxo-5,13,21-trioxahexacyclo[17.2.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁶.0¹¹,²⁰]docosan-18-yl acetate
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
(8r,9s,10r,11r)-8-(acetyloxy)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(19),2(7),3,5,12,14(18)-hexaen-11-yl propanoate
5-[(2r,3r)-5-methoxy-3-(4-methoxyphenyl)-7-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-2-yl]benzene-1,2,3-triol
1-(3-{2,2-dimethyl-3,5'-dioxo-1,9a-dihydrospiro[imidazo[1,2-a]indole-9,2'-oxolan]-4'-yl}-4-oxoquinazolin-2-yl)-2-methylpropyl acetate
(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"}