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 c1(c(cc2c(c1O)[C@]13[C@@H](C[C@@H]2OC(=O)C)C([C@](CC1)(OC3)O)(C)C)C(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus mairei Ref.
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