[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-(4-hydroxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate (CHEBI:143485)

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CHEBI:143485 - [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-(4-hydroxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

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ChEBI ID	CHEBI:143485
ChEBI Name	[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-(4-hydroxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Stars
Submitter	mwilliams
Downloads	Molfile

Formula	C43H51NO15
Net Charge	0
Average Mass	821.873
Monoisotopic Mass	821.32587
SMILES	CC(=O)O[C@]12CO[C@H]1C[C@@H](O)[C@]1(C)C(=O)[C@@H](O)C3=C(C)[C@H](OC(=O)[C@@H](O)[C@@H](c4ccccc4)N4C(=O)OC(C)(C)C4O)C[C@](O)([C@H](OC(=O)c4ccccc4)[C@@H]21)C3(C)C
InChI	InChI=1S/C43H51NO15/c1-21-25(56-36(51)31(48)29(23-14-10-8-11-15-23)44-37(52)40(5,6)59-38(44)53)19-43(54)34(57-35(50)24-16-12-9-13-17-24)32-41(7,33(49)30(47)28(21)39(43,3)4)26(46)18-27-42(32,20-55-27)58-22(2)45/h8-17,25-27,29-32,34,37,46-48,52,54H,18-20H2,1-7H3/t25-,26-,27+,29-,30+,31+,32-,34-,37?,41+,42-,43+/m1/s1
InChIKey	MZGHWPNTSVYFCV-MZZWJHILSA-N

ChEBI Ontology

Outgoing Relation(s)
	[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-(4-hydroxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate (CHEBI:143485) is a taxane diterpenoid (CHEBI:50367)