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CHEBI:18193 - 10-deacetylbaccatin III

ChEBI IDCHEBI:18193
ChEBI Name10-deacetylbaccatin III
Stars
Secondary ChEBI IDsCHEBI:693, CHEBI:11300
Last Modified6 February 2018
DownloadsMolfile
FormulaC29H36O10
Net Charge0
Average Mass544.597
Monoisotopic Mass544.23085
SMILES[H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)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/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18-,19+,21+,22-,24-,27+,28-,29+/m0/s1
InChIKeyYWLXLRUDGLRYDR-ZHPRIASZSA-N
ChEBI Ontology
Outgoing Relation(s)
10-deacetylbaccatin III (CHEBI:18193) has functional parent baccatin III (CHEBI:32898)
10-deacetylbaccatin III (CHEBI:18193) is a secondary α-hydroxy ketone (CHEBI:2468)
10-deacetylbaccatin III (CHEBI:18193) is a tetracyclic diterpenoid (CHEBI:52557)
Incoming Relation(s)
cabazitaxel (CHEBI:63584) has functional parent 10-deacetylbaccatin III (CHEBI:18193)
IUPAC Name 
5β,20-epoxy-1,7β,10β,13α-tetrahydroxy-9-oxotax-11-ene-2α,4α-diyl 4-acetate 2-benzoate
Synonym  Source
10-Deacetylbaccatin IIIKEGG COMPOUND
UniProt Name  Source
10-deacetylbaccatin IIIUniProt
Manual XrefsDatabases
C11700KEGG COMPOUND
Registry NumbersSources
CAS:32981-86-5KEGG COMPOUND