input word = C00046453

Metabolite InformationStructural formula
Name Taxumairol V
(-)-Taxumairol V
Formula C28H42O12
Mw 570.26762681
CAS RN 354991-34-7
C_ID C00046453 ,
InChIKey TXBJKSOTSLHNLL-DHPCSDKPNA-N
InChICode InChI=1S/C28H42O12/c1-12-18(33)10-28(26(6,7)36)21(12)23(34)25(40-16(5)32)27(8)20(39-15(4)31)9-19(38-14(3)30)17(11-37-13(2)29)22(27)24(28)35/h17-20,22-25,33-36H,9-11H2,1-8H3/t17-,18+,19+,20+,22+,23-,24+,25+,27-,28+/m1/s1
SMILES CC(=O)OC[C@H]1[C@H]2[C@H](O)[C@]3(C(C)(C)O)C[C@H](O)C(C)=C3[C@@H](O)[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)C[C@@H]1OC(C)=O
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., JNP, 65, (2002), 1848