input word = C00043055

Metabolite InformationStructural formula
Name Tasumatrol E
(+)-Tasumatrol E
Formula C33H44O13
Mw 648.27819149
CAS RN 830337-17-2
C_ID C00043055 ,
InChIKey LERGIFKZIYQODU-RWAFQECFNA-N
InChICode InChI=1S/C33H44O13/c1-16-21(37)14-32(30(5,6)41)24(16)25(38)28(46-29(40)20-11-9-8-10-12-20)31(7)22(44-18(3)35)13-23(45-19(4)36)33(42,15-43-17(2)34)26(31)27(32)39/h8-12,21-23,25-28,37-39,41-42H,13-15H2,1-7H3/t21-,22-,23-,25+,26-,27-,28-,31+,32-,33-/m0/s1
SMILES C1[C@@H]([C@@]([C@@H]2[C@@]([C@H]1OC(=O)C)([C@H]([C@@H](C1=C([C@H](C[C@]1([C@H]2O)C(C)(C)O)O)C)O)OC(=O)c1ccccc1)C)(O)COC(=O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus sumatrana Ref.
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OrganismTaxus sumatrana
ReferenceShen,J.Nat.Prod.,68,(2005),90