input word = C00043165

Metabolite InformationStructural formula
Name 2,20-Dideacetyltaxuspine X
(+)-2,20-Dideacetyltaxuspine X
Formula C37H46O12
Mw 682.29892693
CAS RN 259678-71-2
C_ID C00043165 ,
InChIKey HDCVJVBXAPXPOQ-LACUFININA-N
InChICode InChI=1S/C37H46O12/c1-20-30(45-22(3)39)17-28-29(43)16-27(19-38)32(49-33(44)15-14-26-12-10-9-11-13-26)18-31(46-23(4)40)21(2)35(47-24(5)41)36(48-25(6)42)34(20)37(28,7)8/h9-16,28-32,36,38,43H,17-19H2,1-8H3/b15-14+,27-16+,35-21-/t28-,29-,30-,31-,32-,36+/m0/s1
SMILES CC(=O)O/C1=C(/C)[C@@H](OC(C)=O)C[C@H](OC(=O)/C=C/c2ccccc2)/C(CO)=C/[C@H](O)C2C[C@H](OC(C)=O)C(C)=C([C@H]1OC(C)=O)C2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus cuspidata Ref.
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