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 CC(=O)O[C@@H]1C2=C(C)[C@@H](O)[C@H](OC(=O)c3ccccc3)[C@@](O)([C@@H](OC(C)=O)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](OC(C)=O)[C@@]3(C)[C@H]1OC(C)=O)C2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus chinensis Ref.
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