Exact Mass: 568.2437
Exact Mass Matches: 568.2437
Found 123 metabolites which its exact mass value is equals to given mass value 568.2437,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Musabalbisiane C
2-[(1R,2R,2R,4R,4aS,5R,5S,6R,8aR)-5-(furan-3-yl)-2,4-dihydroxy-2,4a,5,8a-tetrakis(hydroxymethyl)-6-{[(2E)-2-methylbut-2-enoyl]oxy}-octahydro-2H-spiro[naphthalene-1,3-oxolane]-5-yl]acetic acid
Musabalbisiane C is found in fruits. Musabalbisiane C is a constituent of Musa balbisiana. Constituent of Musa balbisiana. Musabalbisiane C is found in fruits.
Indacaterol-8-O-glucuronide
(2S,3S,4S,5R,6S)-6-[(5-{2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl}-2-oxo-1,2-dihydroquinolin-8-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Indacaterol-8-O-glucuronide is a metabolite of indacaterol. Indacaterol is an ultra-long-acting beta-adrenoceptor agonist developed by Novartis. It was approved by the European Medicines Agency (EMA) under the trade name Onbrez on November 30, 2009, and by the United States Food and Drug Administration (FDA), under the trade name Arcapta Neohaler, on July 1, 2011. It needs to be taken only once a day, unlike the currently available formoterol and salmeterol. (Wikipedia)
5??,17??-Dihydroxy-6??,7??-epoxy-1-oxo-3??-O-sulfate-witha-24-enolide
5??,17??-Dihydroxy-6??,7??-epoxy-1-oxo-3??-O-sulfate-witha-24-enolide
4alpha,7beta,9alpha,10beta-tetraacetoxy-1beta,5alpha,13alpha-trihydroxy-2alpha,20beta-epoxy-tax-11-ene|taiwantaxin D
4alpha,7beta,9alpha,10beta-tetraacetoxy-1beta,5alpha,13alpha-trihydroxy-2alpha,20beta-epoxy-tax-11-ene|taiwantaxin D
2alpha,7beta,9alpha,10beta-tetraacetoxy-5alpha,12-dihydroxy-11,12-secotax-4(20)-ene-11,13-dione|taxusecone
2alpha,7beta,9alpha,10beta-tetraacetoxy-5alpha,12-dihydroxy-11,12-secotax-4(20)-ene-11,13-dione|taxusecone
3,5-bis(3-methyl-2-butenyl)-4-O-[beta-D-glucopyranosyl-(1?2)-alpha-L-arabinopyranosyl]benzoic acid
3,5-bis(3-methyl-2-butenyl)-4-O-[beta-D-glucopyranosyl-(1?2)-alpha-L-arabinopyranosyl]benzoic acid
2,3-dihydro-3beta-O-sulfate withaferin A|2,3-dihydrowithaferin A 3beta-O-sulfate|2,3-dihydrowithaferin A-3b-O-sulfate|2,3-dihydrowithaferin A-3beta-O-sulfate
2,3-dihydro-3beta-O-sulfate withaferin A|2,3-dihydrowithaferin A 3beta-O-sulfate|2,3-dihydrowithaferin A-3b-O-sulfate|2,3-dihydrowithaferin A-3beta-O-sulfate
Cys Gln Arg Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanoic acid
Cys Gln Tyr Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanoic acid
Cys Arg Gln Tyr
(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanoic acid
Cys Arg Tyr Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanoic acid
Cys Tyr Gln Arg
(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanoic acid
Cys Tyr Arg Gln
(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanoic acid
Glu Phe His His
(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid
Glu His Phe His
(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid
Glu His His Phe
(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid
Phe Glu His His
(4S)-4-[(2S)-2-amino-3-phenylpropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid
Phe His Glu His
(4S)-4-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid
Phe His His Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]pentanedioic acid
His Glu Phe His
(4S)-4-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid
His Glu His Phe
(4S)-4-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid
His Phe Glu His
(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-4-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}butanoic acid
His Phe His Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]pentanedioic acid
His His Glu Phe
(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid
His His Phe Glu
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]pentanedioic acid
Gln Cys Arg Tyr
(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanoic acid
Gln Cys Tyr Arg
(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanoic acid
Gln Arg Cys Tyr
(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid
Gln Arg Tyr Cys
(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid
Gln Tyr Cys Arg
(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanoic acid
Gln Tyr Arg Cys
(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanoic acid
Arg Cys Gln Tyr
(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanoic acid
Arg Cys Tyr Gln
(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanoic acid
Arg Gln Cys Tyr
(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid
Arg Gln Tyr Cys
(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid
Arg Tyr Cys Gln
(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-4-carbamoylbutanoic acid
Arg Tyr Gln Cys
(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-sulfanylpropanoic acid
Tyr Cys Gln Arg
(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanoic acid
Tyr Cys Arg Gln
(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanoic acid
Tyr Gln Cys Arg
(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanoic acid
Tyr Gln Arg Cys
(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanoic acid
Tyr Arg Cys Gln
(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-4-carbamoylbutanoic acid
Tyr Arg Gln Cys
(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-4-carbamoylbutanamido]-3-sulfanylpropanoic acid
Musabalbisiane C
2-[5-(furan-3-yl)-2,4-dihydroxy-2,4a,5,8a-tetrakis(hydroxymethyl)-6-{[(2E)-2-methylbut-2-enoyl]oxy}-octahydro-2H-spiro[naphthalene-1,3-oxolane]-5-yl]acetic acid
benzyl 6-methoxy-3,4,5-tris(phenylmethoxy)oxane-2-carboxylate
benzyl 6-methoxy-3,4,5-tris(phenylmethoxy)oxane-2-carboxylate
benzene-1,3-dicarboxylic acid,butane-1,4-diol,2,3-dimethylterephthalic acid,hexane-1,6-diol
benzene-1,3-dicarboxylic acid,butane-1,4-diol,2,3-dimethylterephthalic acid,hexane-1,6-diol
2,3-dihydro-3beta-O-sulfate withaferin A
2,3-dihydro-3beta-O-sulfate withaferin A
A withanolide that is 2,3-dihydrowithaferin A substituted by a sulfoxy group at position 3. Isolated from Physalis longifolia, it exhibits antineoplastic activity.
1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
[(1s,2r,3r,4r,7s,8e,12s,13s,14s,16r,17r)-12,14,16-tris(acetyloxy)-2,3-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-9-yl]methyl acetate
[(1s,2r,3r,4r,7s,8e,12s,13s,14s,16r,17r)-12,14,16-tris(acetyloxy)-2,3-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-9-yl]methyl acetate
[12,14,16-tris(acetyloxy)-2,3-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-9-yl]methyl acetate
[12,14,16-tris(acetyloxy)-2,3-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-9-yl]methyl acetate
(6-hydroxy-15-{1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl}-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-5-yl)oxidanesulfonic acid
(6-hydroxy-15-{1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl}-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-5-yl)oxidanesulfonic acid
(1r,2s,3s,5s,8r,9r,10r,11s,13r,16s)-2,8,11-tris(acetyloxy)-5,9-dihydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-16-yl acetate
(1r,2s,3s,5s,8r,9r,10r,11s,13r,16s)-2,8,11-tris(acetyloxy)-5,9-dihydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-16-yl acetate
7,8,10-tris(acetyloxy)-2,4,12-trihydroxy-5,9,17,17-tetramethyl-15-oxatetracyclo[7.6.1.1²,⁶.0¹³,¹⁶]heptadec-5-en-13-yl acetate
7,8,10-tris(acetyloxy)-2,4,12-trihydroxy-5,9,17,17-tetramethyl-15-oxatetracyclo[7.6.1.1²,⁶.0¹³,¹⁶]heptadec-5-en-13-yl acetate
10-deacetyl-10-glycolylbaccatin iv
NA
{"Ingredient_id": "HBIN000080","Ingredient_name": "10-deacetyl-10-glycolylbaccatin iv","Alias": "NA","Ingredient_formula": "C28H40O12","Ingredient_Smile": "CC1=C2C(C(C3(C(CC4C(C3C(C2(CC1O)C(C)(C)O)OC(=O)C)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4743","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1β-hydroxy-2α,7β-deacetylbaccatin i
NA
{"Ingredient_id": "HBIN002399","Ingredient_name": "1\u03b2-hydroxy-2\u03b1,7\u03b2-deacetylbaccatin i","Alias": "NA","Ingredient_formula": "C28H40O12","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9959","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5α,17α-dihydroxy-6α,7α-epoxy-1-oxo-3β-o-sulfate-witha-24-enolide
NA
{"Ingredient_id": "HBIN011373","Ingredient_name": "5\u03b1,17\u03b1-dihydroxy-6\u03b1,7\u03b1-epoxy-1-oxo-3\u03b2-o-sulfate-witha-24-enolide","Alias": "NA","Ingredient_formula": "C28H40O10S","Ingredient_Smile": "CC1=C(C(=O)OC(C1)C(C)C2(CCC3C2(CCC4C3C5C(O5)C6(C4(C(=O)CC(C6)OS(=O)(=O)O)C)O)C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5878","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7,9-deacetylbaccatin iv
NA
{"Ingredient_id": "HBIN013001","Ingredient_name": "7,9-deacetylbaccatin iv","Alias": "NA","Ingredient_formula": "C28H40O12","Ingredient_Smile": "CC1=C2C(C(C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C)O)OC(=O)C)(CO4)OC(=O)C)O)C)O)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4722","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1's,2r,2's,3'r,5's,7's,8's,9'r,10'r,13's)-2',5',10'-tris(acetyloxy)-1',7',9'-trihydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-13'-yl acetate
(1's,2r,2's,3'r,5's,7's,8's,9'r,10'r,13's)-2',5',10'-tris(acetyloxy)-1',7',9'-trihydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-13'-yl acetate
2,9,11-tris(acetyloxy)-5,8-dihydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-16-yl acetate
2,9,11-tris(acetyloxy)-5,8-dihydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-16-yl acetate
(1s,3s,4ar,5r,6r,9s,10r,10as)-5,9,10-tris(acetyloxy)-3-hydroxy-6-[(3r)-3-hydroxy-2-oxobutyl]-7,7,10a-trimethyl-4-methylidene-8-oxo-octahydrobenzo[8]annulen-1-yl acetate
(1s,3s,4ar,5r,6r,9s,10r,10as)-5,9,10-tris(acetyloxy)-3-hydroxy-6-[(3r)-3-hydroxy-2-oxobutyl]-7,7,10a-trimethyl-4-methylidene-8-oxo-octahydrobenzo[8]annulen-1-yl acetate
(2r,3r,4r,5r,6s)-2-[(2s,3s)-4-hydroxy-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butoxy]-6-methyloxane-3,4,5-triol
(2r,3r,4r,5r,6s)-2-[(2s,3s)-4-hydroxy-2,3-bis[(4-hydroxy-3,5-dimethoxyphenyl)methyl]butoxy]-6-methyloxane-3,4,5-triol
(1s,2s,3s,5s,8r,9r,10r,11s,13r,16s)-2,8,11-tris(acetyloxy)-5,9-dihydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-16-yl acetate
(1s,2s,3s,5s,8r,9r,10r,11s,13r,16s)-2,8,11-tris(acetyloxy)-5,9-dihydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-16-yl acetate
2,8,11-tris(acetyloxy)-5,9-dihydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-16-yl acetate
2,8,11-tris(acetyloxy)-5,9-dihydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-16-yl acetate
(1s,2s,4s,6r,7s,9r,13s,14r,16s,17s)-2,6,14,17-tetramethyl-3,11,15-trioxo-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecan-16-yl acetate
(1s,2s,4s,6r,7s,9r,13s,14r,16s,17s)-2,6,14,17-tetramethyl-3,11,15-trioxo-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecan-16-yl acetate
n-[(2r,3s,6s,7r,8r)-7-(benzoyloxy)-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
n-[(2r,3s,6s,7r,8r)-7-(benzoyloxy)-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
{15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-5,15-dihydroxy-10,14-dimethyl-9-oxo-3-oxapentacyclo[9.7.0.0²,⁴.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-7-yl}oxidanesulfonic acid
{15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-5,15-dihydroxy-10,14-dimethyl-9-oxo-3-oxapentacyclo[9.7.0.0²,⁴.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-7-yl}oxidanesulfonic acid
2',5',10'-tris(acetyloxy)-1',7',9'-trihydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-13'-yl acetate
2',5',10'-tris(acetyloxy)-1',7',9'-trihydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-13'-yl acetate
[(1s,2s,4s,5r,7r,10r,11s,14s,15s,18s)-15-[(1r)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5,15-dihydroxy-10,14-dimethyl-9-oxo-3-oxapentacyclo[9.7.0.0²,⁴.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-7-yl]oxidanesulfonic acid
[(1s,2s,4s,5r,7r,10r,11s,14s,15s,18s)-15-[(1r)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5,15-dihydroxy-10,14-dimethyl-9-oxo-3-oxapentacyclo[9.7.0.0²,⁴.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-7-yl]oxidanesulfonic acid
5,9,10-tris(acetyloxy)-3-hydroxy-6-(3-hydroxy-2-oxobutyl)-7,7,10a-trimethyl-4-methylidene-8-oxo-octahydrobenzo[8]annulen-1-yl acetate
5,9,10-tris(acetyloxy)-3-hydroxy-6-(3-hydroxy-2-oxobutyl)-7,7,10a-trimethyl-4-methylidene-8-oxo-octahydrobenzo[8]annulen-1-yl acetate
(1r,2s,3r,5s,8r,9r,10s,11s,13r,16s)-2,9,11-tris(acetyloxy)-5,8-dihydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-16-yl acetate
(1r,2s,3r,5s,8r,9r,10s,11s,13r,16s)-2,9,11-tris(acetyloxy)-5,8-dihydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-16-yl acetate
[(2r,6s,7r,9r,16s)-6-hydroxy-15-[(1r)-1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-5-yl]oxidanesulfonic acid
[(2r,6s,7r,9r,16s)-6-hydroxy-15-[(1r)-1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-5-yl]oxidanesulfonic acid
5'-(furan-3-yl)-2',4-dihydroxy-2,4a,5,8a-tetrakis(hydroxymethyl)-6-[(2-methylbut-2-enoyl)oxy]-hexahydrospiro[naphthalene-1,3'-oxolan]-5-ylacetic acid
5'-(furan-3-yl)-2',4-dihydroxy-2,4a,5,8a-tetrakis(hydroxymethyl)-6-[(2-methylbut-2-enoyl)oxy]-hexahydrospiro[naphthalene-1,3'-oxolan]-5-ylacetic acid
[(1s,2s,4s,5r,7r,10s,11r,14s,15s,18r)-15-[(1r)-1-[(2s)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5,15-dihydroxy-10,14-dimethyl-9-oxo-3-oxapentacyclo[9.7.0.0²,⁴.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-7-yl]oxidanesulfonic acid
[(1s,2s,4s,5r,7r,10s,11r,14s,15s,18r)-15-[(1r)-1-[(2s)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5,15-dihydroxy-10,14-dimethyl-9-oxo-3-oxapentacyclo[9.7.0.0²,⁴.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-7-yl]oxidanesulfonic acid
2,10,14-tris(acetyloxy)-3,16-dihydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl acetate
2,10,14-tris(acetyloxy)-3,16-dihydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl acetate
2,6,14,17-tetramethyl-3,11,15-trioxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecan-16-yl acetate
2,6,14,17-tetramethyl-3,11,15-trioxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecan-16-yl acetate
(2e,4e,6r)-n-{3-chloro-2,5-dihydroxy-4-[(1e,3e,5e)-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]hexa-1,3,5-trien-1-yl]phenyl}-2,4,6-trimethyldeca-2,4-dienimidic acid
(2e,4e,6r)-n-{3-chloro-2,5-dihydroxy-4-[(1e,3e,5e)-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]hexa-1,3,5-trien-1-yl]phenyl}-2,4,6-trimethyldeca-2,4-dienimidic acid
(1r,2r,2'r,4r,4as,5r,5's,6r,8ar)-5'-(furan-3-yl)-2',4-dihydroxy-2,4a,5,8a-tetrakis(hydroxymethyl)-6-{[(2e)-2-methylbut-2-enoyl]oxy}-hexahydrospiro[naphthalene-1,3'-oxolan]-5-ylacetic acid
(1r,2r,2'r,4r,4as,5r,5's,6r,8ar)-5'-(furan-3-yl)-2',4-dihydroxy-2,4a,5,8a-tetrakis(hydroxymethyl)-6-{[(2e)-2-methylbut-2-enoyl]oxy}-hexahydrospiro[naphthalene-1,3'-oxolan]-5-ylacetic acid
[(1s,2r,3r,4r,7s,8e,12r,13s,14s,16r,17r)-12,14,16-tris(acetyloxy)-2,3-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-9-yl]methyl acetate
[(1s,2r,3r,4r,7s,8e,12r,13s,14s,16r,17r)-12,14,16-tris(acetyloxy)-2,3-dihydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-9-yl]methyl acetate
n-(3-chloro-2,5-dihydroxy-4-{6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]hexa-1,3,5-trien-1-yl}phenyl)-2,4,6-trimethyldeca-2,4-dienimidic acid
n-(3-chloro-2,5-dihydroxy-4-{6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]hexa-1,3,5-trien-1-yl}phenyl)-2,4,6-trimethyldeca-2,4-dienimidic acid
(1's,2s,2's,3'r,5's,7's,8's,9'r,10'r,13's)-2',5',10'-tris(acetyloxy)-1',7',9'-trihydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-13'-yl acetate
(1's,2s,2's,3'r,5's,7's,8's,9'r,10'r,13's)-2',5',10'-tris(acetyloxy)-1',7',9'-trihydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-13'-yl acetate
(1s,2r,3r,4r,7s,8z,10r,12s,13r,14s,16s,17r)-10,12,14-tris(acetyloxy)-3,16-dihydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-2-yl acetate
(1s,2r,3r,4r,7s,8z,10r,12s,13r,14s,16s,17r)-10,12,14-tris(acetyloxy)-3,16-dihydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-2-yl acetate
(1s,2s,4s,7r,8r,9s,10s,12s,13s,16r)-7,8,10-tris(acetyloxy)-2,4,12-trihydroxy-5,9,17,17-tetramethyl-15-oxatetracyclo[7.6.1.1²,⁶.0¹³,¹⁶]heptadec-5-en-13-yl acetate
(1s,2s,4s,7r,8r,9s,10s,12s,13s,16r)-7,8,10-tris(acetyloxy)-2,4,12-trihydroxy-5,9,17,17-tetramethyl-15-oxatetracyclo[7.6.1.1²,⁶.0¹³,¹⁶]heptadec-5-en-13-yl acetate
(1r,2s,3s,5s,8r,9r,10s,11s,13r,16s)-2,9,11-tris(acetyloxy)-5,8-dihydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-16-yl acetate
(1r,2s,3s,5s,8r,9r,10s,11s,13r,16s)-2,9,11-tris(acetyloxy)-5,8-dihydroxy-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-16-yl acetate
(1's,2r,2's,3'r,5'r,7's,8's,9'r,10'r,13's)-2',5',10'-tris(acetyloxy)-1',7',9'-trihydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-13'-yl acetate
(1's,2r,2's,3'r,5'r,7's,8's,9'r,10'r,13's)-2',5',10'-tris(acetyloxy)-1',7',9'-trihydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-13'-yl acetate
(1r,2r,2'r,4r,4as,5r,5's,6r,8ar)-5'-(furan-3-yl)-2',4-dihydroxy-2,4a,5,8a-tetrakis(hydroxymethyl)-6-{[(2z)-2-methylbut-2-enoyl]oxy}-hexahydrospiro[naphthalene-1,3'-oxolan]-5-ylacetic acid
(1r,2r,2'r,4r,4as,5r,5's,6r,8ar)-5'-(furan-3-yl)-2',4-dihydroxy-2,4a,5,8a-tetrakis(hydroxymethyl)-6-{[(2z)-2-methylbut-2-enoyl]oxy}-hexahydrospiro[naphthalene-1,3'-oxolan]-5-ylacetic acid
[(1s,2r,5s,6s,7r,9r,11s,12s,15r,16s)-6-hydroxy-15-[(1s)-1-[(2r)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-5-yl]oxidanesulfonic acid
[(1s,2r,5s,6s,7r,9r,11s,12s,15r,16s)-6-hydroxy-15-[(1s)-1-[(2r)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-5-yl]oxidanesulfonic acid
(1s,2r,3s,4r,7s,8z,10r,12r,13r,14s,16s,17r)-10,12,14-tris(acetyloxy)-3,16-dihydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-2-yl acetate
(1s,2r,3s,4r,7s,8z,10r,12r,13r,14s,16s,17r)-10,12,14-tris(acetyloxy)-3,16-dihydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-2-yl acetate
