input word = C00031406

Metabolite InformationStructural formula
Name Tasumatrol O
(-)-Tasumatrol O
Formula C31H38O12
Mw 602.23632668
CAS RN 866012-64-8
C_ID C00031406 ,
InChIKey ZYQSVBKXXSAVLN-LOIWBONSNA-N
InChICode InChI=1S/C31H38O12/c1-15-19(35)12-30(28(4,5)39)22(15)23(41-16(2)33)25(37)29(13-32)20(36)11-21-31(14-40-21,43-17(3)34)24(29)26(30)42-27(38)18-9-7-6-8-10-18/h6-10,19-21,23-24,26,32,35-36,39H,11-14H2,1-5H3/t19-,20-,21+,23+,24-,26-,29+,30-,31-/m0/s1
SMILES CC(=O)O[C@H]1C(=O)[C@@]2(CO)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(C(C)(C)O)CC(O)C(C)=C13)[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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OrganismTaxus sumatrana
ReferenceShen,Chem.Pharm.Bull..,53,(2005),808