input word = C00049411

Metabolite InformationStructural formula
Name 13-Deacetylbaccatin VI
Formula C35H44O13
Mw 672.27819149
CAS RN 148877-81-0
C_ID C00049411 ,
InChIKey VKVONEINAKWUDS-STHVMYGINA-N
InChICode InChI=1S/C35H44O13/c1-17-23(40)15-35(42)30(47-31(41)22-12-10-9-11-13-22)28-33(8,24(44-18(2)36)14-25-34(28,16-43-25)48-21(5)39)29(46-20(4)38)27(45-19(3)37)26(17)32(35,6)7/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[C@@]2(C(C(=C1C)[C@H]([C@@H]([C@]1([C@H]([C@@H]2OC(=O)c2ccccc2)[C@]2([C@@H](C[C@@H]1OC(=O)C)OC2)OC(=O)C)C)OC(=O)C)OC(=O)C)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus wallichiana Ref.
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