input word = C00040755

Metabolite InformationStructural formula
Name 10,13-Deacetyl abeobaccatin IV
(-)-10,13-Deacetyl abeobaccatin IV
Taxacustin
Formula C28H40O12
Mw 568.25197674
CAS RN 155969-76-9
C_ID C00040755 ,
InChIKey JJAWOGHJFADXHB-TYIQONQCNA-N
InChICode InChI=1S/C28H40O12/c1-12-17(33)10-27(25(6,7)35)20(12)21(34)23(38-14(3)30)26(8)18(37-13(2)29)9-19-28(11-36-19,40-16(5)32)22(26)24(27)39-15(4)31/h17-19,21-24,33-35H,9-11H2,1-8H3/t17-,18-,19+,21+,22-,23-,24-,26+,27-,28-/m0/s1
SMILES CC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(C)=O)[C@]3(C(C)(C)O)C[C@H](O)C(C)=C3[C@@H](O)[C@H](OC(C)=O)[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus canadensis Ref.
PlantaeTaxaceaeTaxus cuspidata Ref.
PlantaeTaxaceaeTaxus wallichiana Ref.
zoom in



OrganismTaxus wallichiana
ReferenceParmar,Phytochem.,50,(1999),1267