input word = C00040448

Metabolite InformationStructural formula
Name Tasumatrol W
Formula C31H36O12
Mw 600.22067662
CAS RN 1013025-35-8
C_ID C00040448 ,
InChIKey SYKAEOJNAZASJR-LDJKYMHYNA-N
InChICode InChI=1S/C31H36O12/c1-15-19(34)12-28-22(15)31(38,26(37)43-27(28,4)5)29(13-39-16(2)32)20(35)11-21-30(14-40-21,42-17(3)33)23(29)24(28)41-25(36)18-9-7-6-8-10-18/h6-10,19-21,23-24,34-35,38H,11-14H2,1-5H3/t19-,20-,21+,23+,24-,28-,29+,30-,31+/m0/s1
SMILES [C@H]1([C@@]23C(=C([C@H](C2)O)C)[C@@]([C@]2([C@@H]1[C@]1([C@@H](C[C@@H]2O)OC1)OC(=O)C)COC(=O)C)(O)C(=O)OC3(C)C)OC(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus sumatrana Ref.
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OrganismTaxus sumatrana
ReferenceShen,J.Nat.Prod.,71,(2008),576