input word = C00049414

Metabolite InformationStructural formula
Name 2'-Deacetylaustrotaxine
(-)-2'-Deacetylaustrotaxine
Formula C39H51NO12
Mw 725.3411261
CAS RN 119777-73-0
C_ID C00049414 ,
InChIKey NPRVQNPPCYLJJE-UHFFFAOYNA-N
InChICode InChI=1S/C39H51NO12/c1-19-26-17-27-35(50-23(5)43)34(49-22(4)42)20(2)30(38(27,7)8)32(45)36(51-24(6)44)39(26,9)29(48-21(3)41)18-28(19)52-37(47)33(46)31(40(10)11)25-15-13-12-14-16-25/h12-16,26-29,31,33-36,46H,1,17-18H2,2-11H3/t26-,27+,28-,29-,31+,33+,34-,35-,36+,39-/m1/s1
SMILES [C@@H]1([C@@H]([C@H]2C(C(=C1C)C(=O)[C@@H]([C@@]1([C@H](C2)C(=C)[C@@H](C[C@H]1OC(=O)C)OC(=O)[C@@H](O)[C@H](c1ccccc1)N(C)C)C)OC(=O)C)(C)C)OC(=O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp IPP L-His
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeAustrotaxus spicata Ref.
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OrganismAustrotaxus spicata
ReferenceBaloglu,J.Nat.Prod.,62,(1999),1448