input word = C00047104

Metabolite InformationStructural formula
Name Taxumairol O
(+)-Taxumairol O
Formula C28H42O13
Mw 586.26254143
CAS RN 272459-72-0
C_ID C00047104 ,
InChIKey UKTPGJFEWDPYOU-FYRJDIEWNA-N
InChICode InChI=1S/C28H42O13/c1-12-17(38-13(2)30)10-28(37)23(35)22-26(8,19(39-14(3)31)9-18(34)27(22,36)11-29)24(41-16(5)33)21(40-15(4)32)20(12)25(28,6)7/h17-19,21-24,29,34-37H,9-11H2,1-8H3/t17-,18-,19-,21+,22-,23-,24-,26+,27-,28+/m0/s1
SMILES CC(=O)O[C@H]1C[C@@]2(O)[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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