Exact Mass: 542.2644558
Exact Mass Matches: 542.2644558
Found 500 metabolites which its exact mass value is equals to given mass value 542.2644558
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Physagulin C
Constituent of the famine food Physalis angulata (cutleaf ground cherry). Physagulin C is found in herbs and spices and fruits. Physagulin C is found in fruits. Physagulin C is a constituent of the famine food Physalis angulata (cutleaf ground cherry).
Cinncassiol C1 19-glucoside
Cinncassiol C1 19-glucoside is found in herbs and spices. Cinncassiol C1 19-glucoside is a constituent of Cinnamomum cassia (Chinese cinnamon) Constituent of Cinnamomum cassia (Chinese cinnamon). Cinncassiol C1 19-glucoside is found in herbs and spices.
Cortolone-3-glucuronide
Cortolone-3-glucuronide is a natural human metabolite of cortolone 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. [HMDB] Cortolone-3-glucuronide is a natural human metabolite of cortolone 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.
Chaetoglobosin N
C33H38N2O5 (542.2780577999999)
Chaetoglobosin N is found in cereals and cereal products. Chaetoglobosin N is isolated from Phomopsis leptostromiformis on sweet corn (Zea mays Isolated from Phomopsis leptostromiformis on sweet corn (Zea mays). Chaetoglobosin N is found in cereals and cereal products.
Chembl4569322
2alpha-angeloyloxy-3alpha-(2-methylbutyryloxy)-3,4-betaH-bacchotricuneatin|2alpha-angeloyloxy-3alpha-<2-methylbutyryloxy>-3,4-betaH-bacchotricuneatin
7alpha,12alpha-diacetoxy-14beta,15beta-epoxy-11beta-hydroxyneotecleanin|7??,12??-Diacetoxy-14??,15??-epoxy-11??-hydroxyneotecleanin
1beta,2beta,8beta-triacetoxy-9beta-cinnamoyloxy-beta-dihydroagarofuran
9-Acetoxy-gamma-geraniol-1-O-<4,6-diacetyl-3-(2-methylbutanoyl)>-beta-D-glucopyranoside|9-Acetoxy-gamma-geraniol-1-O-[4,6-diacetyl-3-(2-methylbutanoyl)]-beta-D-glucopyranoside
1beta,2beta,6alpha-triacetoxy-9alpha-cinnamoyloxy-beta-dihydroagarofuran
3-oxomegastigman-9-yl tetra-O-acetyl-beta-D-glucopyranoside
10-O-[(2E,6R)-8-hydroxy-2,6-dimethyl-1-oxooct-2-en-1-yl]geniposidic acid|rel-(1R,4aR,7aR)-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-{{[(2E,6R)-8-hydroxy-2,6-dimethyl-1-oxooct-2-en-1-yl]oxy}methyl}cyclopenta[c]pyran-4-carboxylic acid|scyphiphorin B
C26H38O12_7-Hydroxy-1-({2-O-[(2E,6E)-8-hydroxy-2,6-dimethyl-2,6-octadienoyl]-beta-D-glucopyranosyl}oxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
(1R,7S,8E,9S,14S,15S,17R)-8-ethylidene-15-(1-hydroxypropan-2-yl)-17-methyl-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,6,12-trioxatricyclo[12.2.1.0⁴,⁹]heptadec-4-ene-3,11-dione
(1R,7S,8E,9S,14S,15S,17R)-8-ethylidene-15-(1-hydroxypropan-2-yl)-17-methyl-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,6,12-trioxatricyclo[12.2.1.0⁴,⁹]heptadec-4-ene-3,11-dione_major
Cys His Lys Arg
Cys His Gln Arg
Cys His Arg Lys
Cys His Arg Gln
Cys Lys His Arg
Cys Lys Arg His
Cys Gln His Arg
Cys Gln Arg His
Cys Arg His Lys
Cys Arg His Gln
Cys Arg Lys His
Cys Arg Gln His
Asp Phe Val Tyr
Asp Phe Tyr Val
Asp Pro Arg Arg
C21H38N10O7 (542.2924797999999)
Asp Arg Pro Arg
C21H38N10O7 (542.2924797999999)
Asp Arg Arg Pro
C21H38N10O7 (542.2924797999999)
Asp Val Phe Tyr
Asp Val Tyr Phe
Asp Tyr Phe Val
Asp Tyr Val Phe
Glu Phe Phe Thr
Glu Phe Thr Phe
Glu Thr Phe Phe
Phe Asp Val Tyr
Phe Asp Tyr Val
Phe Glu Phe Thr
Phe Glu Thr Phe
Phe Phe Glu Thr
Phe Phe Met Val
Phe Phe Thr Glu
Phe Phe Val Met
Phe Ile Thr Tyr
Phe Ile Tyr Thr
Phe Leu Thr Tyr
Phe Leu Tyr Thr
Phe Met Phe Val
Phe Met Val Phe
Phe Thr Glu Phe
Phe Thr Phe Glu
Phe Thr Ile Tyr
Phe Thr Leu Tyr
Phe Thr Tyr Ile
Phe Thr Tyr Leu
Phe Val Asp Tyr
Phe Val Phe Met
Phe Val Met Phe
Phe Val Tyr Asp
Phe Tyr Asp Val
Phe Tyr Ile Thr
Phe Tyr Leu Thr
Phe Tyr Thr Ile
Phe Tyr Thr Leu
Phe Tyr Val Asp
His Cys Lys Arg
His Cys Gln Arg
His Cys Arg Lys
His Cys Arg Gln
His His His Ile
His His His Leu
His His Ile His
His His Leu His
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His Lys Cys Arg
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His Lys Gln Met
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His Leu His His
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His Gln Arg Cys
His Arg Cys Lys
His Arg Cys Gln
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His Arg Gln Cys
Ile Phe Thr Tyr
Ile Phe Tyr Thr
Ile His His His
Ile Pro Gln Trp
Ile Pro Trp Gln
Ile Gln Pro Trp
Ile Gln Trp Pro
Ile Thr Phe Tyr
Ile Thr Tyr Phe
Ile Trp Pro Gln
Ile Trp Gln Pro
Ile Tyr Phe Thr
Ile Tyr Thr Phe
Lys Cys His Arg
Lys Cys Arg His
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Lys His Gln Met
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Lys Met His Gln
Lys Met Gln His
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Lys Arg His Cys
Leu Phe Thr Tyr
Leu Phe Tyr Thr
Leu His His His
Leu Pro Gln Trp
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Leu Gln Pro Trp
Leu Gln Trp Pro
Leu Thr Phe Tyr
Leu Thr Tyr Phe
Leu Trp Pro Gln
Leu Trp Gln Pro
Leu Tyr Phe Thr
Leu Tyr Thr Phe
Met Phe Phe Val
Met Phe Val Phe
Met His Lys Gln
Met His Gln Lys
Met Lys His Gln
Met Lys Gln His
Met Gln His Lys
Met Gln Lys His
Met Val Phe Phe
Pro Asp Arg Arg
C21H38N10O7 (542.2924797999999)
Pro Ile Gln Trp
Pro Ile Trp Gln
Pro Leu Gln Trp
Pro Leu Trp Gln
Pro Gln Ile Trp
Pro Gln Leu Trp
Pro Gln Trp Ile
Pro Gln Trp Leu
Pro Arg Asp Arg
C21H38N10O7 (542.2924797999999)
Pro Arg Arg Asp
C21H38N10O7 (542.2924797999999)
Pro Thr Tyr Tyr
Pro Trp Ile Gln
Pro Trp Leu Gln
Pro Trp Gln Ile
Pro Trp Gln Leu
Pro Tyr Thr Tyr
Pro Tyr Tyr Thr
Gln Cys His Arg
Gln Cys Arg His
Gln His Cys Arg
Gln His Lys Met
Gln His Met Lys
Gln His Arg Cys
Gln Ile Pro Trp
Gln Ile Trp Pro
Gln Lys His Met
Gln Lys Met His
Gln Leu Pro Trp
Gln Leu Trp Pro
Gln Met His Lys
Gln Met Lys His
Gln Pro Ile Trp
Gln Pro Leu Trp
Gln Pro Trp Ile
Gln Pro Trp Leu
Gln Arg Cys His
Gln Arg His Cys
Gln Trp Ile Pro
Gln Trp Leu Pro
Gln Trp Pro Ile
Gln Trp Pro Leu
Arg Cys His Lys
Arg Cys His Gln
Arg Cys Lys His
Arg Cys Gln His
Arg Asp Pro Arg
C21H38N10O7 (542.2924797999999)
Arg Asp Arg Pro
C21H38N10O7 (542.2924797999999)
Arg His Cys Lys
Arg His Cys Gln
Arg His Lys Cys
Arg His Gln Cys
Arg Lys Cys His
Arg Lys His Cys
Arg Pro Asp Arg
C21H38N10O7 (542.2924797999999)
Arg Pro Arg Asp
C21H38N10O7 (542.2924797999999)
Arg Gln Cys His
Arg Gln His Cys
Arg Arg Asp Pro
C21H38N10O7 (542.2924797999999)
Arg Arg Pro Asp
C21H38N10O7 (542.2924797999999)
Thr Glu Phe Phe
Thr Phe Glu Phe
Thr Phe Phe Glu
Thr Phe Ile Tyr
Thr Phe Leu Tyr
Thr Phe Tyr Ile
Thr Phe Tyr Leu
Thr Ile Phe Tyr
Thr Ile Tyr Phe
Thr Leu Phe Tyr
Thr Leu Tyr Phe
Thr Pro Tyr Tyr
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Val Asp Phe Tyr
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Trp Ile Pro Gln
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Trp Leu Pro Gln
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Tyr Asp Phe Val
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Tyr Phe Leu Thr
Tyr Phe Thr Ile
Tyr Phe Thr Leu
Tyr Phe Val Asp
Tyr Ile Phe Thr
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Tyr Leu Phe Thr
Tyr Leu Thr Phe
Tyr Pro Thr Tyr
Tyr Pro Tyr Thr
Tyr Thr Phe Ile
Tyr Thr Phe Leu
Tyr Thr Ile Phe
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Tyr Thr Pro Tyr
Tyr Thr Tyr Pro
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Tyr Val Phe Asp
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Tyr Tyr Val Val
Chaetoglobosin N
C33H38N2O5 (542.2780577999999)
Cinncassiol C1 19-glucoside
Physagulin C
2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S,3R-dihydroxyundecanoic acid
Nicansteroidin C
Physagulin F
Ethyl 5,8-bis(benzyloxy)-4-{[dimethyl(2-methyl-2-propanyl)silyl]o xy}-2-naphthoate
(2S,3R,4S,5R,6R)-2-fluoro-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
2,3,4,6-tetra-o-benzyl-alpha-d-glucopyranosyl fluoride
2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL FLUORIDE
(3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]- 3,5-dihydrosy-6-heptane acid,
4-[3-[2-[2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoic acid
8-Ethylidene-15-(1-hydroxypropan-2-yl)-17-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,12-trioxatricyclo[12.2.1.04,9]heptadec-4-ene-3,11-dione
N-[3-(Dimethylamino)propyl]-2-({[4-({[4-(formylamino)-1-methyl-1H-pyrrol-2-YL]carbonyl}amino)-1-methyl-1H-pyrrol-2-YL]carbonyl}amino)-5-isopropyl-1,3-thiazole-4-carboxamide
[(4E,6E,12Z,14Z,16E)-7,19-dimethyl-2-[(3E)-3-methylhexa-3,5-dienyl]-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl] phosphate
N-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
(-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3,15-dibenzoyloxy-5,6-epoxylathyr-12-en-14-one
A lathyrane diterpenoid isolated from the roots of Euphorbia micractina.
8-[1-(1,3-Benzodioxol-5-yl)-3-(4-phenyl-1-piperazinyl)propyl]-5,7-dimethoxy-4-methyl-1-benzopyran-2-one
4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
C28H38N4O3S2 (542.2385198000001)
3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-2-octoanoyl-sn-glycerol
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
C33H38N2O5 (542.2780577999999)
2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
C33H38N2O5 (542.2780577999999)
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
C33H38N2O5 (542.2780577999999)
2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
C33H38N2O5 (542.2780577999999)
4-[[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
C33H38N2O5 (542.2780577999999)
3-[[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
3-[[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
3-[[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
3-[[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
3-[[[(4R,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
C33H38N2O5 (542.2780577999999)
3-[[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
3-[[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
3-[[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
C33H38N2O5 (542.2780577999999)
4-[[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
1-O-[(6Z,9R,10E,12E,14Z,16S)-19-carboxy-9,16-dihydroxynonadeca-6,10,12,14-tetraenoyl]-beta-D-glucopyranuronic acid
(1R,3E,6R,7Z,9S,11E,13R,14S,16R,17S,18R,19S)-6-hydroxy-19-[(1R)-1-(1H-indol-3-yl)ethyl]-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-3,7,11-triene-2,5,21-trione
C33H38N2O5 (542.2780577999999)
(1R,7S,8E,9S,14S,15S,17R)-8-ethylidene-15-(1-hydroxypropan-2-yl)-17-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,12-trioxatricyclo[12.2.1.04,9]heptadec-4-ene-3,11-dione
[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (Z)-tetradec-9-enoate
1-(9Z-tetradecenoyl)-glycero-3-phospho-(1-myo-inositol)
Atrasentan
Atrasentan (ABT-627) is an endothelin receptor antagonist with IC50 of 0.0551 nM for ETA[1].
4-(acetyloxy)-11-hydroxy-1-(2-hydroxy-5-oxo-2h-furan-3-yl)-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-10-yl acetate
(1r,2s,3as,4r,5s,9s,11r,13as)-4,11-bis(acetyloxy)-3a,9-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate
16-hydroxy-4,15-dimethoxy-2,14,17-trimethyl-11-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-3-one
{5-[(3-acetylphenyl)amino]-4-amino-3-[n,n-dimethyl-(c-hydroxycarbonimidoyl)amino]-3-ethyl-1,2-dihydroxy-2-methylcyclopentyl}methyl 2-hydroxy-6-methylbenzoate
(5s,6r,9s,10s,15s,16e,17s)-16-ethylidene-6-hydroxy-5,9-dimethyl-17-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,12,18-trioxatricyclo[13.4.0.0⁶,¹⁰]nonadec-1(19)-ene-2,13-dione
6,6''-bis(furan-3-yl)-4,4''-dihydroxy-9,9''-dimethyl-hexadecahydrodispiro[quinolizine-2,2'-thiolane-4',3''-quinolizin]-1'-ium-1'-olate
1-[(1s,2s,5r,6r)-5-(2h-1,3-benzodioxol-5-yl)-6-[(1e)-2-(2h-1,3-benzodioxol-5-yl)ethenyl]-2-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carbonyl]pyrrolidine
(10-{6-[(acetyloxy)methyl]-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl}-6-(furan-3-yl)-7,11-dimethyl-4-oxo-2,5-dioxatricyclo[5.4.0.0¹,³]undecan-11-yl)methyl acetate
methyl 5-{2-formyl-5,5,8a-trimethyl-6,7-bis[(2-methylbut-2-enoyl)oxy]-1,4,4a,6,7,8-hexahydronaphthalen-1-yl}-3-methyl-4-oxopent-2-enoate
4-formyl-4a-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,5h,6h,7ah-cyclopenta[c]pyran-7-yl 8-hydroxy-2,6-dimethylocta-2,6-dienoate
(1s,4s,5r,6r,7s,11r,16s,17s,18r,19r)-5,16,17-trihydroxy-6,14,18-trimethyl-4-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-13-en-9-one
(5r,6s,7as)-5-(3-{[(2r,3r,4s,5r,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}prop-1-en-2-yl)-6-ethenyl-3,6-dimethyl-4,5,7,7a-tetrahydro-1-benzofuran-2-one
4-{[(1r,2s,4r,5r,6r,7r,10s,11s,14s,16r)-5-(acetyloxy)-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecan-14-yl]oxy}-4-oxobutanoic acid
(1s,2r,4s,5r,6r,7s,9r,12r)-4,5,12-tris(acetyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl (2e)-3-phenylprop-2-enoate
(2r,3r,4s,5s,6r)-2-{[(4e,12e)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxane-3,4,5-triol
methyl 6-{4,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,7,10-trioxo-1h,2h,4h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohept-5-enoate
(2e,4e,6e,8e,10r,11s)-12-{[(1s,3s,7r,8r,8as)-7-hydroxy-8-(3-hydroxypropanoyl)-3,7,8-trimethyl-1,2,3,8a-tetrahydronaphthalen-1-yl]oxy}-10-hydroxy-5,9,11-trimethyl-12-oxododeca-2,4,6,8-tetraenoic acid
methyl 8,15-bis(acetyloxy)-4,5,7,10,14,14-hexamethyl-6,18-dioxo-19-oxapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁵,⁹]nonadeca-3,7-diene-9-carboxylate
[(1R,2S,3S,4E,7R,9R,10E,12S,13S,14S)-2,9-diacetoxy-1,7-dihydroxy-3,6,6,10,14-pentamethyl-13-bicyclo[10.3.0]pentadeca-4,10-dienyl] benzoate
{"Ingredient_id": "HBIN003076","Ingredient_name": "[(1R,2S,3S,4E,7R,9R,10E,12S,13S,14S)-2,9-diacetoxy-1,7-dihydroxy-3,6,6,10,14-pentamethyl-13-bicyclo[10.3.0]pentadeca-4,10-dienyl] benzoate","Alias": "[(1R,2S,3S,4E,7R,9R,10E,12S,13S,14S)-2,9-diacetyloxy-1,7-dihydroxy-3,6,6,10,14-pentamethyl-13-bicyclo[10.3.0]pentadeca-4,10-dienyl] benzoate; benzoic acid [(1R,2S,3S,4E,7R,9R,10E,12S,13S,14S)-2,9-diacetoxy-1,7-dihydroxy-3,6,6,10,14-pentamethyl-13-bicyclo[10.3.0]pentadeca-4,10-dienyl] ester","Ingredient_formula": "C31H42O8","Ingredient_Smile": "NA","Ingredient_weight": "542.66","OB_score": "7.920598515","CAS_id": "90052-87-2","SymMap_id": "SMIT14048","TCMID_id": "NA","TCMSP_id": "MOL013397","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6alpha-Acetoxy-5-epilimonin
{"Ingredient_id": "HBIN012193","Ingredient_name": "6alpha-Acetoxy-5-epilimonin","Alias": "6\u03b1-acetoxy-5-epilimonin; 6alpha-acetoxy-5-epilimonin","Ingredient_formula": "C30H38O9","Ingredient_Smile": "CC1C(=O)OC(C2(C1(C3(C(CC2)C45COC(=O)CC4OC(C5C(C3=O)OC(=O)C)(C)C)C)C)C)C6=COC=C6","Ingredient_weight": "542.68","OB_score": "12.7362038","CAS_id": "NA","SymMap_id": "SMIT01070;SMIT14120","TCMID_id": "25403;179","TCMSP_id": "MOL004005","TCM_ID_id": "19335","PubChem_id": "NA","DrugBank_id": "NA"}
6β-acetoxy-5-epilimonin
{"Ingredient_id": "HBIN012250","Ingredient_name": "6\u03b2-acetoxy-5-epilimonin","Alias": "6beta-acetoxy-5-epilimonin","Ingredient_formula": "C30H38O9","Ingredient_Smile": "CC1C(=O)OC(C2(C1(C3(C(CC2)C45COC(=O)CC4OC(C5C(C3=O)OC(=O)C)(C)C)C)C)C)C6=COC=C6","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14121;SMIT18854","TCMID_id": "25402;180","TCMSP_id": "NA","TCM_ID_id": "19336","PubChem_id": "NA","DrugBank_id": "NA"}
agnucastoside a
{"Ingredient_id": "HBIN014873","Ingredient_name": "agnucastoside a","Alias": "NA","Ingredient_formula": "C26H38O12","Ingredient_Smile": "CC(=CCO)CCC=C(C)C(=O)OCC1C(C(C(C(O1)OC2C3C(CCC3(C)O)C(=CO2)C(=O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "750","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
ardisiaquinone d
{"Ingredient_id": "HBIN016668","Ingredient_name": "ardisiaquinone d","Alias": "NA","Ingredient_formula": "C31H42O8","Ingredient_Smile": "CC1=C(C(=O)C(=C(C1=O)O)CCCCCCCC=CCCCCCCCC2=C(C(=O)C=C(C2=O)OC)O)OC","Ingredient_weight": "542.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1632","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10347303","DrugBank_id": "NA"}
6,7,17-trihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-(nona-1,3,5-trien-1-yl)-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-5-one
(1s,2s,7r,9r,11s,13s,14r,15s,16s,17s)-16-hydroxy-4,15-dimethoxy-2,14,17-trimethyl-11-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-3-one
(11as)-6-({[(2r,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-3,10-dimethyl-4h,7h,8h,11h,11ah-cyclodeca[b]furan-2-one
1-[2-(2h-1,3-benzodioxol-5-yl)-6-[2-(2h-1,3-benzodioxol-5-yl)ethenyl]-5-(pyrrolidine-1-carbonyl)cyclohex-3-ene-1-carbonyl]pyrrolidine
(5s,6r,9s,10s,15s,16e,17s)-16-ethylidene-6-hydroxy-5,9-dimethyl-17-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,12,18-trioxatricyclo[13.4.0.0⁶,¹⁰]nonadec-1(19)-ene-2,13-dione
methyl 6,15-bis(acetyloxy)-4,5,7,10,14,14-hexamethyl-8,18-dioxo-19-oxapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁵,⁹]nonadeca-3,6-diene-9-carboxylate
4-{[5-(acetyloxy)-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadecan-14-yl]oxy}-4-oxobutanoic acid
(1s,2r,4s,5r,6s,7s,8r,9s)-4,5,8-tris(acetyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl (2e)-3-phenylprop-2-enoate
(2r,3r,4r,5r,6r)-3-(acetyloxy)-6-{[(6z)-8-(acetyloxy)-7-methyl-3-methylideneoct-6-en-1-yl]oxy}-2-[(acetyloxy)methyl]-5-hydroxyoxan-4-yl (2r)-2-methylbutanoate
6-(furan-3-yl)-16-(1-hydroxy-2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-11-en-14-yl propanoate
(1s,2r,3ar,4r,5r,9s,11s,13ar)-4,9-bis(acetyloxy)-3a,11-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate
3a,4-bis(acetyloxy)-9,11-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate
(1r,7s,9s,14s,15s,17r)-8-ethylidene-15-[(2r)-1-hydroxypropan-2-yl]-17-methyl-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,6,12-trioxatricyclo[12.2.1.0⁴,⁹]heptadec-4-ene-3,11-dione
(5r,6s,7s,9s,10r,15s,16e,17s)-16-ethylidene-7-hydroxy-5,9-dimethyl-17-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,12,18-trioxatricyclo[13.4.0.0⁶,¹⁰]nonadec-1(19)-ene-2,13-dione
(1r,2r,3s,8r,10r,11s,12r,14s,16s,17s)-3-(acetyloxy)-16-(furan-3-yl)-2,7,7,11,17-pentamethyl-5,15-dioxo-6,13-dioxapentacyclo[9.8.0.0²,⁸.0¹²,¹⁴.0¹²,¹⁷]nonadecan-10-yl acetate
2-[(1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl)oxy]-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triol
4,5,12-tris(acetyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl 3-phenylprop-2-enoate
4,5,17-trihydroxy-6,14,18-trimethyl-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-en-9-one
(1s,6s,7e,8s,15r,16s,17r,18r)-7-ethylidene-17-hydroxy-15,18-dimethyl-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9,13-trioxatricyclo[14.2.1.0⁶,¹¹]nonadec-10-ene-4,12-dione
(1r,2r,6s,7r,9r,11r,12s,13s,14s,16r,17s)-16-[(1r)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6,12-dihydroxy-2,17-dimethyl-3-oxo-8,15-dioxahexacyclo[9.8.0.0²,⁷.0⁷,⁹.0¹²,¹⁷.0¹⁴,¹⁶]nonadec-4-en-13-yl acetate
(1s,2r,3ar,4s,5s,9r,11r,13as)-3a,4-bis(acetyloxy)-9,11-dihydroxy-2,5,8,8,12-pentamethyl-1h,2h,3h,4h,5h,9h,10h,11h,13ah-cyclopenta[12]annulen-1-yl benzoate
(3e,7e,11e)-6,21-dihydroxy-19-[1-(1h-indol-3-yl)ethyl]-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.0¹,¹⁸.0¹⁴,¹⁶]henicosa-3,7,11,20-tetraene-2,5-dione
C33H38N2O5 (542.2780577999999)