input word = C00040447

Metabolite InformationStructural formula
Name Tasumatrol V
Formula C31H36O12
Mw 600.22067662
CAS RN 1013025-33-6
C_ID C00040447 ,
InChIKey UHYTXVUDJYACPP-LDJKYMHYNA-N
InChICode InChI=1S/C31H36O12/c1-15-19(34)12-28(27(4,5)37)22(15)31(38)26(36)40-13-29(31)20(41-16(2)32)11-21-30(14-39-21,43-17(3)33)23(29)24(28)42-25(35)18-9-7-6-8-10-18/h6-10,19-21,23-24,34,37-38H,11-14H2,1-5H3/t19-,20-,21+,23+,24-,28-,29+,30-,31+/m0/s1
SMILES CC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)C2[C@H](OC(=O)c3ccccc3)[C@]3(C(C)(C)O)C[C@H](O)C(C)=C3[C@@]3(O)C(=O)OC[C@]213
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus sumatrana Ref.
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