input word = C00040810

Metabolite InformationStructural formula
Name 2-Deacetyldecinnamoyltaxinine E
(+)-2-Deacetyldecinnamoyltaxinine E
Formula C26H38O8
Mw 478.25666819
CAS RN 161956-26-9
C_ID C00040810 ,
InChIKey JTBBGPIYDSKLLQ-YMQOEHMINA-N
InChICode InChI=1S/C26H38O8/c1-12-18(30)9-10-26(8)20(12)22(31)17-11-19(32-14(3)27)13(2)21(25(17,6)7)23(33-15(4)28)24(26)34-16(5)29/h17-20,22-24,30-31H,1,9-11H2,2-8H3/t17-,18-,19-,20-,22+,23+,24-,26+/m0/s1
SMILES [C@@]12([C@@H](C(=C)[C@H](CC1)O)[C@@H]([C@@H]1C[C@@H](C(=C([C@H]([C@@H]2OC(=O)C)OC(=O)C)C1(C)C)C)OC(=O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
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OrganismTaxus baccata
ReferenceParmar,Phytochem.,50,(1999),1267