input word = C00046454

Metabolite InformationStructural formula
Name Taxumairol W
(-)-Taxumairol W
Formula C28H40O12
Mw 568.25197674
CAS RN 354991-35-8
C_ID C00046454 ,
InChIKey PQDWVOZKMNDPAX-TYIQONQCNA-N
InChICode InChI=1S/C28H40O12/c1-12-17(33)10-27(25(6,7)35)20(12)21(38-14(3)30)23(34)26(8)18(37-13(2)29)9-19-28(11-36-19,40-16(5)32)22(26)24(27)39-15(4)31/h17-19,21-24,33-35H,9-11H2,1-8H3/t17-,18-,19+,21+,22-,23-,24-,26+,27-,28-/m0/s1
SMILES CC(=O)O[C@@H]1C2=C(C)[C@@H](O)C[C@@]2(C(C)(C)O)[C@@H](OC(C)=O)[C@@H]2[C@]3(OC(C)=O)CO[C@@H]3C[C@H](OC(C)=O)[C@@]2(C)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus mairei Ref.
PlantaeTaxaceaeTaxus sumatrana Ref.
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