input word = C00049427

Metabolite InformationStructural formula
Name Austrotaxine
Formula C41H53NO13
Mw 767.35169079
CAS RN 119789-82-1
C_ID C00049427 ,
InChIKey ANDFUFYTIKMZJO-UHFFFAOYNA-N
InChICode InChI=1S/C41H53NO13/c1-20-28-18-29-36(52-24(5)45)35(51-23(4)44)21(2)32(40(29,8)9)34(48)38(54-26(7)47)41(28,10)31(50-22(3)43)19-30(20)55-39(49)37(53-25(6)46)33(42(11)12)27-16-14-13-15-17-27/h13-17,28-31,33,35-38H,1,18-19H2,2-12H3/t28-,29+,30-,31+,33+,35-,36-,37+,38-,41+/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]([C@H](c1ccccc1)N(C)C)OC(=O)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