input word = C00043155

Metabolite InformationStructural formula
Name 14beta-Benzoyloxy-2-deacetylbaccatin VI
(+)-14beta-Benzoyloxy-2-deacetylbaccatin VI
Formula C37H46O15
Mw 730.2836708
CAS RN 705973-69-9
C_ID C00043155 ,
InChIKey ZZJVBWJAVYPFDJ-HZNHPYGMNA-N
InChICode InChI=1S/C37H46O15/c1-17-26-28(49-20(4)40)31(50-21(5)41)35(9)24(47-18(2)38)15-25-36(16-46-25,52-22(6)42)29(35)30(43)37(45,34(26,7)8)32(27(17)48-19(3)39)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)O)O)OC(=O)c1ccccc1)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus chinensis Ref.
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