input word = C00049495

Metabolite InformationStructural formula
Name Nicaustrine
(+)-Nicaustrine
Formula C43H54N2O11
Mw 774.37276058
CAS RN 127211-02-3
C_ID C00049495 ,
InChIKey WECXFEYIUJGNQW-UHFFFAOYNA-N
InChICode InChI=1S/C43H54N2O11/c1-24-32(52-25(2)46)20-30-36(53-26(3)47)38-42(7,39(56-40(50)29-16-13-19-44-22-29)37(54-27(4)48)35(24)41(30,5)6)18-17-33(43(38)23-51-43)55-34(49)21-31(45(8)9)28-14-11-10-12-15-28/h10-16,19,22,30-33,36-39H,17-18,20-21,23H2,1-9H3/t30-,31-,32-,33+,36+,37-,38+,39+,42+,43-/m0/s1
SMILES [C@@H]1(C[C@@H]2C(C(=C1C)[C@@H]([C@H]([C@]1([C@@H]([C@@H]2OC(=O)C)[C@@]2([C@@H](CC1)OC(=O)C[C@@H](c1ccccc1)N(C)C)CO2)C)OC(=O)c1cccnc1)OC(=O)C)(C)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