input word = C00049348

Metabolite InformationStructural formula
Name 2alpha-Acetoxy-2',7-dideacetoxyaustrospicatine
Formula C39H53NO10
Mw 695.36694692
CAS RN 214151-14-1
C_ID C00049348 ,
InChIKey GNZQUFKIYFRXLM-SCRNMZOGNA-N
InChICode InChI=1S/C39H53NO10/c1-21-30(50-32(45)20-29(40(10)11)27-15-13-12-14-16-27)17-18-39(9)34(21)35(47-24(4)42)28-19-31(46-23(3)41)22(2)33(38(28,7)8)36(48-25(5)43)37(39)49-26(6)44/h12-16,28-31,34-37H,1,17-20H2,2-11H3/t28-,29+,30-,31-,34-,35+,36+,37-,39+/m0/s1
SMILES C=C1[C@@H](OC(=O)CC(c2ccccc2)N(C)C)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp IPP L-His
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus chinensis Ref.
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OrganismTaxus chinensis
ReferenceChen,J.Nat.Prod.,62,(1999),149