input word = C00040446

Metabolite InformationStructural formula
Name Tasumatrol U
Formula C27H34O9
Mw 502.22028269
CAS RN 1013025-31-4
C_ID C00040446 ,
InChIKey OGIGMYJQHAPONF-HQUIBATINA-N
InChICode InChI=1S/C27H34O9/c1-14-10-11-25-18(14)27(34,22(32)36-23(25,2)3)24(4)16(29)12-17(26(33,13-28)19(24)20(25)30)35-21(31)15-8-6-5-7-9-15/h5-9,16-17,19-20,28-30,33-34H,10-13H2,1-4H3/t16-,17-,19-,20-,24+,25-,26-,27+/m0/s1
SMILES [C@H]1([C@@]23C(=C(CC2)C)[C@@]([C@]2([C@H]1[C@@]([C@H](C[C@@H]2O)OC(=O)c1ccccc1)(CO)O)C)(O)C(=O)OC3(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus sumatrana Ref.
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