input word = C00043154

Metabolite InformationStructural formula
Name 14beta-Benzoyloxy-13-deacetylbaccatin IV
(+)-14beta-Benzoyloxy-13-deacetylbaccatin IV
Formula C37H46O15
Mw 730.2836708
CAS RN 705973-68-8
C_ID C00043154 ,
InChIKey SNLZFHVXSDOFFU-GJIUZPBUNA-N
InChICode InChI=1S/C37H46O15/c1-17-26-28(48-19(3)39)31(49-20(4)40)35(9)24(47-18(2)38)15-25-36(16-46-25,52-22(6)42)29(35)32(50-21(5)41)37(45,34(26,7)8)30(27(17)43)51-33(44)23-13-11-10-12-14-23/h10-14,24-25,27-32,43,45H,15-16H2,1-9H3/t24-,25+,27+,28+,29-,30-,31-,32-,35+,36-,37+/m0/s1
SMILES C12=C([C@H]([C@@H]([C@](C1(C)C)([C@H]([C@H]1[C@]([C@H]([C@@H]2OC(=O)C)OC(=O)C)([C@H](C[C@@H]2[C@]1(CO2)OC(=O)C)OC(=O)C)C)OC(=O)C)O)OC(=O)c1ccccc1)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus chinensis Ref.
zoom in