input word = C00045504

Metabolite InformationStructural formula
Name 10-Deacetyl-10-oxo-baccatin V
Formula C29H34O10
Mw 542.21519731
CAS RN 151636-94-1
C_ID C00045504 ,
InChIKey UEDMLPVUDFCAQM-MEBTYXAANA-N
InChICode InChI=1S/C29H34O10/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/h6-10,17-19,22,24,31-32,36H,11-13H2,1-5H3/t17-,18+,19+,22-,24-,27+,28-,29+/m0/s1
SMILES O[C@@H]1C(=C2C([C@@](C1)([C@H]([C@H]1[C@](C(=O)C2=O)([C@@H](C[C@@H]2[C@]1(CO2)OC(=O)C)O)C)OC(=O)c1ccccc1)O)(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus canadensis Ref.
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OrganismTaxus canadensis
ReferenceZhang,J.Nat.Prod.,64,(2001),450