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 [C@@H]12C[C@@H]([C@@]3([C@@H]([C@]1(OC(=O)C)CO2)[C@@H]([C@]1(C(=C([C@H](C1)O)C)[C@H]([C@@H]3O)OC(=O)C)C(C)(O)C)OC(=O)C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus mairei Ref.
PlantaeTaxaceaeTaxus sumatrana Ref.
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OrganismTaxus sumatrana
ReferenceShen, et al., JNP, 64, (2001), 950.

SHEN, et al., Chem Pharm Bull, 51, (2003), 867.

Shen, et al., JNP, 65, (2002), 1848