input word = C00047103

Metabolite InformationStructural formula
Name Taxumairol N
(+)-Taxumairol N
Formula C28H42O12
Mw 570.26762681
CAS RN 272459-71-9
C_ID C00047103 ,
InChIKey VTKBQFQXWSDZJR-MHTIAXAANA-N
InChICode InChI=1S/C28H42O12/c1-12-18(37-13(2)30)9-17-22(35)24-27(8,20(38-14(3)31)10-19(34)28(24,36)11-29)25(40-16(5)33)23(39-15(4)32)21(12)26(17,6)7/h17-20,22-25,29,34-36H,9-11H2,1-8H3/t17-,18-,19-,20-,22+,23+,24-,25-,27+,28-/m0/s1
SMILES CC(=O)O[C@H]1C[C@H]2[C@@H](O)[C@@H]3[C@](O)(CO)[C@@H](O)C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus mairei Ref.
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