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CHEBI:234005 - 10-deacetyl-1-deoxybaccatin III

ChEBI IDCHEBI:234005
ChEBI Name10-deacetyl-1-deoxybaccatin III
Stars
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC29H36O9
Net Charge0
Average Mass528.598
Monoisotopic Mass528.23593
SMILES[H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3([H])C[C@H](O)C(C)=C([C@@H](O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@]12OC(C)=O)C3(C)C
InChIInChI=1S/C29H36O9/c1-14-18(31)11-17-23(37-26(35)16-9-7-6-8-10-16)24-28(5,25(34)22(33)21(14)27(17,3)4)19(32)12-20-29(24,13-36-20)38-15(2)30/h6-10,17-20,22-24,31-33H,11-13H2,1-5H3/t17-,18-,19-,20+,22+,23+,24-,28+,29-/m0/s1
InChIKeyZZHDKHYVMGERLI-URVPXBHVSA-N
ChEBI Ontology
Outgoing Relation(s)
10-deacetyl-1-deoxybaccatin III (CHEBI:234005) is a acetate ester (CHEBI:47622)
10-deacetyl-1-deoxybaccatin III (CHEBI:234005) is a benzoate ester (CHEBI:36054)
10-deacetyl-1-deoxybaccatin III (CHEBI:234005) is a tetracyclic diterpenoid (CHEBI:52557)
UniProt Name  Source
10-deacetyl-1-deoxybaccatin IIIUniProt
Citations