input word = C00040855

Metabolite InformationStructural formula
Name 9-Deacetylbaccatin VI
Formula C35H44O13
Mw 672.27819149
CAS RN 188789-51-7
C_ID C00040855 ,
InChIKey KVCYVYKYUBLZGW-STHVMYGINA-N
InChICode InChI=1S/C35H44O13/c1-17-23(44-18(2)36)15-35(42)30(47-31(41)22-12-10-9-11-13-22)28-33(8,29(40)27(46-20(4)38)26(17)32(35,6)7)24(45-19(3)37)14-25-34(28,16-43-25)48-21(5)39/h9-13,23-25,27-30,40,42H,14-16H2,1-8H3/t23-,24-,25+,27+,28-,29-,30-,33+,34-,35+/m0/s1
SMILES [C@@]12([C@@H]([C@]3([C@@H](C[C@@H]1OC(=O)C)OC3)OC(=O)C)[C@@H]([C@@]1(C[C@@H](C(=C([C@H]([C@@H]2O)OC(=O)C)C1(C)C)C)OC(=O)C)O)OC(=O)c1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus yunnanensis Ref.
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OrganismTaxus yunnanensis
ReferenceParmar,Phytochem.,50,(1999),1267