input word = C00040844

Metabolite InformationStructural formula
Name 7,9,10-Trideacetylbaccatin VI
Formula C31H40O11
Mw 588.25706212
CAS RN 156168-98-8
C_ID C00040844 ,
InChIKey NEAUUILPXJLPHE-ZMVMSMPYNA-N
InChICode InChI=1S/C31H40O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-26,34-36,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,25-,26-,29+,30-,31+/m0/s1
SMILES CC(=O)O[C@@H]1C2=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)[C@H]1O)C2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus canadensis Ref.
PlantaeTaxaceaeTaxus chinensis Ref.
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