Exact Mass: 552.229489
Exact Mass Matches: 552.229489
Found 500 metabolites which its exact mass value is equals to given mass value 552.229489
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
1-[3-(3-Chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-(1-piperidyl)piperidine-4-carboxamide
Prupaside
Prupaside is found in fruits. Prupaside is isolated from Prunus padus (bird cherry). Isolated from Prunus padus (bird cherry). Prupaside is found in fruits.
Lyoniside
B-Raf inhibitor
6beta-acetoxy-8alpha,9alpha-dibenzoyloxy-1alpha,2alpha-dihydroxydihydro-beta-agarofuran|Angulatuenoid G|Angulatueoid G|Triptogelin A-3
(4S)-3-{{{6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxoprop-2-en-1-yl]-beta-D-glucopyranosyl}oxy}methyl}-4-(hydroxymethyl)-5,5-dimethylcyclohex-2-en-1-one|6-O-trans-sinapoyljasminoside B
(4R)-4-{{6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxoprop-2-en-1-yl]-beta-D-glucopyranosyl}oxy}-2,6,6-trimethylcyclohex-1-ene-1-carboxylic acid|6-O-trans-sinapoyljasminoside L
(1R,2S,3S,4S;5R,7R,9S,10R)-2beta-acetoxy-1alpha,9beta-dibenzoyloxy-3beta,4beta-dihydroxydihydro-(15alpha)-beta-agarofuran
(+)-5-methoxy-isolariciresinol-3alpha-O-beta-D-glucopyranoside|(+)-5-methoxyisolariciresinol 9-O-beta-D-glucopyranoside
4-[(erythro) 2,3-dihydro-3(hydroxymethyl)-5-(3-hydropropyl)-7-methoxy-2-benzofuranyl]-2,6-dimethoxyphenyl-beta-D-glucopyranoside|rel-(7R,8S)-3,3,5-trimethoxy-4,7-epoxy-8,5-neolignan-4,9,9-triol 4-beta-D-glucopyranoside|rel-4-[(2S,3R)-2,3-dihydro-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxybenzofuran-2-yl]-2,6-dimethoxyphenyl beta-D-glucopyranoside
2-[3-methoxy,4-(O-beta-D-galactopyranos-1-yl)benzyl]-3-(3,4dimethoxybenzyl)-4-hydroxybutyric acid|aconiside
(+)-5-methoxyisolariciresinol 3a-O-beta-glucopyranoside
(2S,4aR,6aR,9R,10aR,10bS)-2-(3-furanyl)-9-(beta-D-glucopyranosyloxy)-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-4a-hydroxyl-6a,10b-dimethyl-4-oxo-2H-naphtho[2,1-c]pyran-7-carboxylic acid methyl ester|tinospinoside C
(+)-4,4-O-diangeloylmedioresinol|2,6-dimethoxy-4-[(1S,3aR,4S,6aR)-4-(3-methoxy-4-{[(2Z)-2-methylbut-2-enoyl]oxy}phenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]phenyl (2Z)-2-methylbut-2-enoate
5-methoxy-(+)-isolariciresinol-4-O-beta-D-glucopyranoside
[4-[5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-oxo-4-phenylchromen-6-yl]-2-methyl-4-oxobutyl] 3-phenylprop-2-enoate
2beta-[3,5-dimethoxy-4-O-(beta-D-glucopyranosyl)phenyl]-3alpha-hydroxymethyl-4alpha-[(4-hydroxy-3-methoxyphenyl)methyl]tetrahydrofuran|conicaoside
(3R,4R,5R,6S,8R,9S,10S,12S)-15,16-epoxy-3,4-epoxy-6-O-(beta-D-glucopyranosyl)-cleroda-3,13(16),14-trien-17,12-olid-18-oic acid methyl ester
1beta,5alpha,7alphaH-2alpha-Acetoxy-4alpha-O-beta-D-(2,6-O-diacetyl)glucopyranosylguaia-10(14),11(13)dien-8beta,12-olide|1beta,5alpha,7alphaH-2alpha-Acetoxy-4alpha-O-beta-D-<2,6-O-diacetyl>glucopyranosylguaia-10(14),11(13)dien-8beta,12-olide
Benzyl glycoside,3,4-dibenzyl-alpha-Pyranose-2-O-beta-D-Xylopyranosyl-D-xylose
(+)-(7S,8R,8S)-4,4,9-trihydroxy-3,3,5-trimethoxy-2,7-lignan 9-O-beta-D-glucopyranoside|(6R,7R,8S)-7a-[(beta-D-glucopyranosyl)oxy]-1-methoxyisolariciresinol|[(1S,2S,3R)-1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxynaphthalen-2-yl]methyl beta-D-glucopyranoside
rel-(7R,8S)-3,3,5-trimethoxy-4,7-epoxy-8,5-neolignan-4,9,9-triol 9-beta-D-glucopyranoside|rel-[(2R,3S)-2,3-dihydro-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-hydroxypropyl)-7-methoxybenzofuran-3-yl]methyl beta-D-glucopyranoside
Tyr Gln Asn Glu
C23H32N6O10 (552.2179811999999)
Glu Tyr Ile Glu
Asn Gln Tyr Glu
C23H32N6O10 (552.2179811999999)
C27H36O12_1-Cyclohexene-1-carboxylic acid, 4-[[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-2,6,6-trimethyl
2-[[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol
2-[[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol_major
Ala His Tyr Tyr
Ala Asn Trp Tyr
Ala Asn Tyr Trp
Ala Trp Asn Tyr
Ala Trp Tyr Asn
Ala Tyr His Tyr
Ala Tyr Asn Trp
Ala Tyr Trp Asn
Ala Tyr Tyr His
Cys Phe Phe His
Cys Phe His Phe
Cys Phe Gln Arg
Cys Phe Arg Gln
Cys His Phe Phe
Cys Gln Phe Arg
Cys Gln Arg Phe
Cys Arg Phe Gln
Cys Arg Gln Phe
Asp Gln Gln Tyr
C23H32N6O10 (552.2179811999999)
Asp Gln Tyr Gln
C23H32N6O10 (552.2179811999999)
Asp Tyr Gln Gln
C23H32N6O10 (552.2179811999999)
Glu Glu Ile Tyr
Glu Glu Leu Tyr
Glu Glu Tyr Ile
Glu Glu Tyr Leu
Glu His His Met
C22H32N8O7S (552.2114561999999)
Glu His Met His
C22H32N8O7S (552.2114561999999)
Glu Ile Glu Tyr
Glu Ile Tyr Glu
Glu Leu Glu Tyr
Glu Leu Tyr Glu
Glu Met His His
C22H32N8O7S (552.2114561999999)
Glu Asn Gln Tyr
C23H32N6O10 (552.2179811999999)
Glu Asn Tyr Gln
C23H32N6O10 (552.2179811999999)
Glu Gln Asn Tyr
C23H32N6O10 (552.2179811999999)
Glu Gln Tyr Asn
C23H32N6O10 (552.2179811999999)
Glu Tyr Glu Ile
Glu Tyr Glu Leu
Glu Tyr Leu Glu
Glu Tyr Asn Gln
C23H32N6O10 (552.2179811999999)
Glu Tyr Gln Asn
C23H32N6O10 (552.2179811999999)
Phe Cys Phe His
Phe Cys His Phe
Phe Cys Gln Arg
Phe Cys Arg Gln
Phe Phe Cys His
Phe Phe His Cys
Phe His Cys Phe
Phe His Phe Cys
Phe His Ser Tyr
Phe His Tyr Ser
Phe Met Gln Gln
Phe Asn Ser Trp
Phe Asn Trp Ser
Phe Gln Cys Arg
Phe Gln Met Gln
Phe Gln Gln Met
Phe Gln Arg Cys
Phe Arg Cys Gln
Phe Arg Gln Cys
Phe Ser His Tyr
Phe Ser Asn Trp
Phe Ser Trp Asn
Phe Ser Tyr His
Phe Trp Asn Ser
Phe Trp Ser Asn
Phe Tyr His Ser
Phe Tyr Ser His
Gly Gln Trp Tyr
Gly Gln Tyr Trp
Gly Trp Gln Tyr
Gly Trp Tyr Gln
Gly Tyr Gln Trp
Gly Tyr Trp Gln
His Ala Tyr Tyr
His Cys Phe Phe
His Glu His Met
C22H32N8O7S (552.2114561999999)
His Glu Met His
C22H32N8O7S (552.2114561999999)
His Phe Cys Phe
His Phe Phe Cys
His Phe Ser Tyr
His Phe Tyr Ser
His His Glu Met
C22H32N8O7S (552.2114561999999)
His His Met Glu
C22H32N8O7S (552.2114561999999)
His His Pro Tyr
C26H32N8O6 (552.2444691999999)
His His Tyr Pro
C26H32N8O6 (552.2444691999999)
His Met Glu His
C22H32N8O7S (552.2114561999999)
His Met His Glu
C22H32N8O7S (552.2114561999999)
His Asn Pro Trp
C26H32N8O6 (552.2444691999999)
His Asn Trp Pro
C26H32N8O6 (552.2444691999999)
His Pro His Tyr
C26H32N8O6 (552.2444691999999)
His Pro Asn Trp
C26H32N8O6 (552.2444691999999)
His Pro Trp Asn
C26H32N8O6 (552.2444691999999)
His Pro Tyr His
C26H32N8O6 (552.2444691999999)
His Ser Phe Tyr
His Ser Tyr Phe
His Trp Asn Pro
C26H32N8O6 (552.2444691999999)
His Trp Pro Asn
C26H32N8O6 (552.2444691999999)
His Tyr Ala Tyr
His Tyr Phe Ser
His Tyr His Pro
C26H32N8O6 (552.2444691999999)
His Tyr Pro His
C26H32N8O6 (552.2444691999999)
His Tyr Ser Phe
His Tyr Tyr Ala
Ile Glu Glu Tyr
Ile Glu Tyr Glu
Ile Tyr Glu Glu
Leu Glu Glu Tyr
Leu Glu Tyr Glu
Leu Tyr Glu Glu
Met Glu His His
C22H32N8O7S (552.2114561999999)
Met Phe Gln Gln
Met His Glu His
C22H32N8O7S (552.2114561999999)
Met His His Glu
C22H32N8O7S (552.2114561999999)
Met Gln Phe Gln
Met Gln Gln Phe
Asn Ala Trp Tyr
Asn Ala Tyr Trp
Asn Glu Gln Tyr
C23H32N6O10 (552.2179811999999)
Asn Glu Tyr Gln
C23H32N6O10 (552.2179811999999)
Asn Phe Ser Trp
Asn Phe Trp Ser
Asn His Pro Trp
C26H32N8O6 (552.2444691999999)
Asn His Trp Pro
C26H32N8O6 (552.2444691999999)
Asn Pro His Trp
C26H32N8O6 (552.2444691999999)
Asn Pro Trp His
C26H32N8O6 (552.2444691999999)
Asn Gln Glu Tyr
C23H32N6O10 (552.2179811999999)
Asn Ser Phe Trp
Asn Ser Trp Phe
Asn Trp Ala Tyr
Asn Trp Phe Ser
Asn Trp His Pro
C26H32N8O6 (552.2444691999999)
Asn Trp Pro His
C26H32N8O6 (552.2444691999999)
Asn Trp Ser Phe
Asn Trp Tyr Ala
Asn Tyr Ala Trp
Asn Tyr Glu Gln
C23H32N6O10 (552.2179811999999)
Asn Tyr Gln Glu
C23H32N6O10 (552.2179811999999)
Asn Tyr Trp Ala
Pro His His Tyr
C26H32N8O6 (552.2444691999999)
Pro His Asn Trp
C26H32N8O6 (552.2444691999999)
Pro His Trp Asn
C26H32N8O6 (552.2444691999999)
Pro His Tyr His
C26H32N8O6 (552.2444691999999)
Pro Asn His Trp
C26H32N8O6 (552.2444691999999)
Pro Asn Trp His
C26H32N8O6 (552.2444691999999)
Pro Trp His Asn
C26H32N8O6 (552.2444691999999)
Pro Trp Asn His
C26H32N8O6 (552.2444691999999)
Pro Tyr His His
C26H32N8O6 (552.2444691999999)
Gln Cys Phe Arg
Gln Cys Arg Phe
Gln Asp Gln Tyr
C23H32N6O10 (552.2179811999999)
Gln Asp Tyr Gln
C23H32N6O10 (552.2179811999999)
Gln Glu Asn Tyr
C23H32N6O10 (552.2179811999999)
Gln Glu Tyr Asn
C23H32N6O10 (552.2179811999999)
Gln Phe Cys Arg
Gln Phe Met Gln
Gln Phe Gln Met
Gln Phe Arg Cys
Gln Gly Trp Tyr
Gln Gly Tyr Trp
Gln Met Phe Gln
Gln Met Gln Phe
Gln Asn Glu Tyr
C23H32N6O10 (552.2179811999999)
Gln Asn Tyr Glu
C23H32N6O10 (552.2179811999999)
Gln Gln Asp Tyr
C23H32N6O10 (552.2179811999999)
Gln Gln Phe Met
Gln Gln Met Phe
Gln Gln Tyr Asp
C23H32N6O10 (552.2179811999999)
Gln Arg Cys Phe
Gln Arg Phe Cys
Gln Trp Gly Tyr
Gln Trp Tyr Gly
Gln Tyr Asp Gln
C23H32N6O10 (552.2179811999999)
Gln Tyr Glu Asn
C23H32N6O10 (552.2179811999999)
Gln Tyr Gly Trp
Gln Tyr Asn Glu
C23H32N6O10 (552.2179811999999)
Gln Tyr Gln Asp
C23H32N6O10 (552.2179811999999)
Gln Tyr Trp Gly
Arg Cys Phe Gln
Arg Cys Gln Phe
Arg Phe Cys Gln
Arg Phe Gln Cys
Arg Gln Cys Phe
Arg Gln Phe Cys
Ser Phe His Tyr
Ser Phe Asn Trp
Ser Phe Trp Asn
Ser Phe Tyr His
Ser His Phe Tyr
Ser His Tyr Phe
Ser Asn Phe Trp
Ser Asn Trp Phe
Ser Trp Phe Asn
Ser Trp Asn Phe
Ser Tyr Phe His
Ser Tyr His Phe
Trp Ala Asn Tyr
Trp Ala Tyr Asn
Trp Phe Asn Ser
Trp Phe Ser Asn
Trp Gly Gln Tyr
Trp Gly Tyr Gln
Trp His Asn Pro
C26H32N8O6 (552.2444691999999)
Trp His Pro Asn
C26H32N8O6 (552.2444691999999)
Trp Asn Ala Tyr
Trp Asn Phe Ser
Trp Asn His Pro
C26H32N8O6 (552.2444691999999)
Trp Asn Pro His
C26H32N8O6 (552.2444691999999)
Trp Asn Ser Phe
Trp Asn Tyr Ala
Trp Pro His Asn
C26H32N8O6 (552.2444691999999)
Trp Pro Asn His
C26H32N8O6 (552.2444691999999)
Trp Gln Gly Tyr
Trp Gln Tyr Gly
Trp Ser Phe Asn
Trp Ser Asn Phe
Trp Tyr Ala Asn
Trp Tyr Gly Gln
Trp Tyr Asn Ala
Trp Tyr Gln Gly
Tyr Ala His Tyr
Tyr Ala Asn Trp
Tyr Ala Trp Asn
Tyr Ala Tyr His
Tyr Asp Gln Gln
C23H32N6O10 (552.2179811999999)
Tyr Glu Glu Ile
Tyr Glu Glu Leu
Tyr Glu Ile Glu
Tyr Glu Leu Glu
Tyr Glu Asn Gln
C23H32N6O10 (552.2179811999999)
Tyr Glu Gln Asn
C23H32N6O10 (552.2179811999999)
Tyr Phe His Ser
Tyr Phe Ser His
Tyr Gly Gln Trp
Tyr Gly Trp Gln
Tyr His Ala Tyr
Tyr His Phe Ser
Tyr His His Pro
C26H32N8O6 (552.2444691999999)
Tyr His Pro His
C26H32N8O6 (552.2444691999999)
Tyr His Ser Phe
Tyr His Tyr Ala
Tyr Ile Glu Glu
Tyr Leu Glu Glu
Tyr Asn Ala Trp
Tyr Asn Glu Gln
C23H32N6O10 (552.2179811999999)
Tyr Asn Gln Glu
C23H32N6O10 (552.2179811999999)
Tyr Asn Trp Ala
Tyr Pro His His
C26H32N8O6 (552.2444691999999)
Tyr Gln Asp Gln
C23H32N6O10 (552.2179811999999)
Tyr Gln Glu Asn
C23H32N6O10 (552.2179811999999)
Tyr Gln Gly Trp
Tyr Gln Gln Asp
C23H32N6O10 (552.2179811999999)
Tyr Gln Trp Gly
Tyr Ser Phe His
Tyr Ser His Phe
Tyr Trp Ala Asn
Tyr Trp Gly Gln
Tyr Trp Asn Ala
Tyr Trp Gln Gly
Tyr Tyr Ala His
Tyr Tyr His Ala
Prupaside
CHLORODIHYDRIDO[BIS(2-DI-I-PROPYLPHOSPHINOETHYL)AMINE]IRIDIUM(III)
C16H42ClIrN2P2 (552.2141022000001)
BIS(TRIPHENYLPHOSPHINE)IMINIUM BOROHYDRIDE
C36H33BNP2 (552.2181168000001)
1-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl]-2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]benzimidazole
TETRAETHYL 1,1-(1,4-PHENYLENE)BIS(2,5-DIMETHYL-1H-PYRROLE-3,4-DICARBOXYLATE)
[[(1S)-1α-(3,5-Dimethoxy-4-hydroxyphenyl)-3α-(hydroxymethyl)-6,8-dimethoxy-7-hydroxytetralin-2β-yl]methyl]β-D-xylopyranoside
(2R,3S,4S,5S)-5-HYDROXY-2,3,4-TRIS(PHENYLMETHOXY)-5-[(PHENYLMETHOXY)METHYL]-CYCLOHEXANONE
Sucrose 2-acetyl-3-(2-methyl)butyryl-3-isovalerate
4-[[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
C30H36N2O6S (552.2293956000001)
N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methylbenzenesulfonamide
C30H36N2O6S (552.2293956000001)
N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
C30H36N2O6S (552.2293956000001)
4-[[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
C30H36N2O6S (552.2293956000001)
(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-14-(2,2,2-trifluoroethylsulfonylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methylbenzenesulfonamide
C30H36N2O6S (552.2293956000001)
N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
C30H36N2O6S (552.2293956000001)
N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methylbenzenesulfonamide
C30H36N2O6S (552.2293956000001)
4-[[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
C30H36N2O6S (552.2293956000001)
4-[[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
C30H36N2O6S (552.2293956000001)
4-[[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
C30H36N2O6S (552.2293956000001)
4-[[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
C30H36N2O6S (552.2293956000001)
4-[[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
C30H36N2O6S (552.2293956000001)
4-[[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl-methylamino]methyl]benzoic acid
C30H36N2O6S (552.2293956000001)
(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methylbenzenesulfonamide
C30H36N2O6S (552.2293956000001)
N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
C30H36N2O6S (552.2293956000001)
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methylbenzenesulfonamide
(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-8-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methylbenzenesulfonamide
(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methylbenzenesulfonamide
C30H36N2O6S (552.2293956000001)
N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
C30H36N2O6S (552.2293956000001)
N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
C30H36N2O6S (552.2293956000001)
N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
C30H36N2O6S (552.2293956000001)
N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methylbenzenesulfonamide
C30H36N2O6S (552.2293956000001)
N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
C30H36N2O6S (552.2293956000001)
N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
C30H36N2O6S (552.2293956000001)
N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
C30H36N2O6S (552.2293956000001)
N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
C30H36N2O6S (552.2293956000001)
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methylbenzenesulfonamide
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methylbenzenesulfonamide
(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide
(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-14-(2,2,2-trifluoroethylsulfonylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-14-(2,2,2-trifluoroethylsulfonylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-14-(2,2,2-trifluoroethylsulfonylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-14-(2,2,2-trifluoroethylsulfonylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propan-2-yl-14-(2,2,2-trifluoroethylsulfonylamino)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide
N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methylbenzenesulfonamide
C30H36N2O6S (552.2293956000001)
N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
C30H36N2O6S (552.2293956000001)
N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
C30H36N2O6S (552.2293956000001)
N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
C30H36N2O6S (552.2293956000001)
N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
C30H36N2O6S (552.2293956000001)
N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
C30H36N2O6S (552.2293956000001)
N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
C30H36N2O6S (552.2293956000001)
N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-2-methoxy-N-methylbenzenesulfonamide
C30H36N2O6S (552.2293956000001)
1,2-difluoroethanol;1-(1,2-difluoroethyl)pyrrolidin-2-one;N-[[1-(1,2-difluoroethyl)triazol-4-yl]methyl]-N-(2-fluoroethyl)pentanediamide
2-[(2R,9S,12R,13R,15S)-15-[(E)-hex-4-enoyl]-12-[(E)-oct-6-enyl]-4,6,18-trioxo-5,16,17-trioxapentacyclo[7.7.2.01,10.02,13.03,7]octadeca-3(7),10-dien-9-yl]acetic acid
(1s,2r,5s,6s,9s,11r,12s,13s,15r)-6-(furan-3-yl)-5,12,16,16-tetramethyl-8,14,21-trioxo-7,10,17-trioxahexacyclo[13.3.3.0¹,¹⁵.0²,¹².0⁵,¹¹.0⁹,¹¹]henicos-19-en-13-yl 3-methylbutanoate
(2r,3r,4s,5s,6r)-2-{[(2s,3s,4r)-6-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
methyl (1s,2r,5r,7s,8s,9r)-8-[2-(furan-3-yl)-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl]-5-hydroxy-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.0²,⁷]dodec-3-ene-3-carboxylate
(1s,2r,6s,9r,12r)-12-(acetyloxy)-7-(benzoyloxy)-4,5-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-8-yl benzoate
(8s,9s,10s)-9-hydroxy-3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-8-yl benzoate
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{4-[(2r,3s)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy}oxane-3,4,5-triol
ethyl 4-[(1s,7s,13r,15r)-3-hydroxy-5-oxo-7-phenyl-13-[(1e)-2-phenylethenyl]-8,14-dioxatetracyclo[11.3.1.0²,¹¹.0⁴,⁹]heptadeca-2,4(9),10-trien-15-yl]butanoate
(1r,2r,5s,6s,9s,11r,12s,13s,14r,17r,22s)-6-(furan-3-yl)-1,5,12,17-tetramethyl-8,19-dioxo-7,10,15,18-tetraoxahexacyclo[12.7.1.0²,¹².0⁵,¹¹.0⁹,¹¹.0¹⁷,²²]docos-20-en-13-yl (2e)-2-methylbut-2-enoate
6,10-bis(acetyloxy)-2-ethenyl-10a-hydroxy-2,4b,8,8-tetramethyl-1,7-dioxo-3,4,4a,8a,9,10-hexahydrophenanthren-4-yl benzoate
(2r,3r,4s,5r)-2-{[(2s,3r,4r)-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]oxolan-3-yl]methoxy}oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-{4-[(1r,2r)-1-hydroxy-2-{4-[(1e)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenoxy}propyl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2r,3r,4s,5s,6r)-2-{[(1s,2s,3r)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1s,2s,4s,5r,6r,7s,9r,12r)-4-(acetyloxy)-5-(benzoyloxy)-2,12-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(3ar,4r,6ar,8s,9ar,9br)-3,6,9-trimethylidene-2-oxo-8-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydroazuleno[4,5-b]furan-4-yl (2r)-2-ethyl-2-hydroxy-3-oxobutanoate
(3,4,5-trihydroxy-6-{[6-(hydroxymethyl)-5,5-dimethyl-3-oxocyclohex-1-en-1-yl]methoxy}oxan-2-yl)methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
3,6,9-trimethylidene-2-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydroazuleno[4,5-b]furan-4-yl 2-ethyl-2-hydroxy-3-oxobutanoate
methyl (1s,2r,5r,7s,8s,9r)-8-[(2s)-2-(furan-3-yl)-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl]-5-hydroxy-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.0²,⁷]dodec-3-ene-3-carboxylate
(2s,3r,4r,5s)-2-{[(1r,2s,3s)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-5-(hydroxymethyl)oxolane-3,4-diol
4-[5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2-oxo-4-phenylchromen-6-yl]-2-methyl-4-oxobutyl 3-phenylprop-2-enoate
2-(4-{4-[(3,4-dimethoxyphenyl)(hydroxy)methyl]-3-(hydroxymethyl)oxolan-2-yl}-2-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
3-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-[(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]butanoic acid
2-{[7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
12-(acetyloxy)-7-(benzoyloxy)-4,5-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-8-yl benzoate
[5-(acetyloxy)-6-{[7-(acetyloxy)-5-methyl-3,8-dimethylidene-2-oxo-octahydroazuleno[6,5-b]furan-5-yl]oxy}-3,4-dihydroxyoxan-2-yl]methyl acetate
(2s,3r,4s,5s,6r)-2-(4-{[(3s,4s,5r)-5-(4-hydroxy-3,5-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl}-2-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
5alpha-decinnamoyltaxagifine
{"Ingredient_id": "HBIN011418","Ingredient_name": "5alpha-decinnamoyltaxagifine","Alias": "5\u03b1-decinnamoyltaxagifine","Ingredient_formula": "C27H36O12","Ingredient_Smile": "CC(=O)OC1CC(C(=C)C2C1C(C(C3(C4(COC3(C(=O)CC4C2OC(=O)C)C)C)O)OC(=O)C)OC(=O)C)O","Ingredient_weight": "552.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25956;4852","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "132529426","DrugBank_id": "NA"}
7-isovaleroylcycloepiatalantin
{"Ingredient_id": "HBIN013302","Ingredient_name": "7-isovaleroylcycloepiatalantin","Alias": "NA","Ingredient_formula": "C31H36O9","Ingredient_Smile": "CC(C)CC(=O)OC1C(=O)C23C(=O)C=CC2(COC3(C)C)C4C1(C56C(O5)C(=O)OC(C6(CC4)C)C7=COC=C7)C","Ingredient_weight": "552.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "11755","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101135531","DrugBank_id": "NA"}
Benzoylgomisin Q
{"Ingredient_id": "HBIN017816","Ingredient_name": "Benzoylgomisin Q","Alias": "benzoylgomisin q","Ingredient_formula": "C31H36O9","Ingredient_Smile": "CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C(C1(C)O)OC(=O)C4=CC=CC=C4)OC)OC)OC)OC)OC)OC","Ingredient_weight": "552.6 g/mol","OB_score": "7.504296759","CAS_id": "NA","SymMap_id": "SMIT10162","TCMID_id": "2242","TCMSP_id": "MOL008963","TCM_ID_id": "NA","PubChem_id": "14605164","DrugBank_id": "NA"}