input word = C00041181

Metabolite InformationStructural formula
Name Taxusabietane E
(+)-Taxusabietane E
Formula C36H48O15
Mw 720.29932087
CAS RN 220785-06-8
C_ID C00041181 ,
InChIKey KJSXTSKECSXGTJ-ZZMMFGFRNA-N
InChICode InChI=1S/C36H48O15/c1-16(2)22-12-23-24(46-18(4)38)13-26-34(8,9)36(43)11-10-35(26,15-45-36)27(23)28(42)29(22)51-33-32(49-21(7)41)31(48-20(6)40)30(47-19(5)39)25(50-33)14-44-17(3)37/h12,16,24-26,30-33,42-43H,10-11,13-15H2,1-9H3/t24-,25+,26-,30+,31-,32+,33-,35+,36-/m0/s1
SMILES CC(=O)OC[C@H]1O[C@@H](Oc2c(C(C)C)cc3c(c2O)[C@]24CC[C@](O)(OC2)C(C)(C)[C@@H]4C[C@@H]3OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus mairei Ref.
zoom in