input word = C00040757

Metabolite InformationStructural formula
Name 10-Deacetylbaccatin VI
Formula C35H44O13
Mw 672.27819149
CAS RN 188789-50-6
C_ID C00040757 ,
InChIKey HSGNPIWQFGGNCN-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(46-20(4)38)27(40)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@@H]1([C@H]2[C@]([C@H]([C@@H](C3=C([C@H](C[C@@]1(C3(C)C)O)OC(=O)C)C)O)OC(=O)C)([C@H](C[C@@H]1[C@]2(CO1)OC(=O)C)OC(=O)C)C)OC(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus yunnanensis Ref.
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