input word = C00040809

Metabolite InformationStructural formula
Name 2-Deacetoxytaxinine B
Formula C25H42O9
Mw 486.28288294
CAS RN 191547-12-3
C_ID C00040809 ,
InChIKey OBBKIKZFVSBXJQ-ZUZDAFBONA-N
InChICode InChI=1S/C35H42O9/c1-19-26-16-25-17-27(39)20(2)31(34(25,6)7)32(42-22(4)37)33(43-23(5)38)35(26,8)29(41-21(3)36)18-28(19)44-30(40)15-14-24-12-10-9-11-13-24/h9-15,25-26,28-29,32-33H,1,16-18H2,2-8H3/b15-14+/t25-,26-,28+,29+,32-,33+,35+/m1/s1
SMILES C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1CC(=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus chinensis Ref.
PlantaeTaxaceaeTaxus wallichiana Ref.
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