input word = C00040451

Metabolite InformationStructural formula
Name Tasumatrol Z
Formula C31H36O11
Mw 584.22576199
CAS RN 1013025-39-2
C_ID C00040451 ,
InChIKey GISHCNFJVUJUHA-IVHVHCKONA-N
InChICode InChI=1S/C31H36O11/c1-16-11-12-28-22(16)31(37,26(36)42-27(28,4)5)29(14-38-17(2)32)20(34)13-21-30(15-39-21,41-18(3)33)23(29)24(28)40-25(35)19-9-7-6-8-10-19/h6-10,20-21,23-24,34,37H,11-15H2,1-5H3/t20-,21+,23-,24-,28-,29+,30-,31+/m0/s1
SMILES CC(=O)OC[C@@]12[C@H]([C@H](OC(=O)c3ccccc3)[C@]34CCC(C)=C3[C@@]1(O)C(=O)OC4(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus sumatrana Ref.
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