input word = C00040768

Metabolite InformationStructural formula
Name 13-epi-10-Deacetylbaccatin III
(-)-13-epi-10-Deacetylbaccatin III
Formula C29H36O10
Mw 544.23084737
CAS RN 172018-16-5
C_ID C00040768 ,
InChIKey YWLXLRUDGLRYDR-DRXOYLAZNA-N
InChICode InChI=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-/m1/s1
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](O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
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OrganismTaxus baccata
ReferenceParmar,Phytochem.,50,(1999),1267