input word = C00038119

Metabolite InformationStructural formula
Name 10-Deacetyltaxol A
10-Deacetyltaxol
Formula C45H49NO13
Mw 811.32039066
CAS RN 78432-77-6
C_ID C00038119 ,
InChIKey TYLVGQKNNUHXIP-PLCZGVAUNA-N
InChICode InChI=1S/C45H49NO13/c1-24-29(57-41(54)35(50)33(26-15-9-6-10-16-26)46-39(52)27-17-11-7-12-18-27)22-45(55)38(58-40(53)28-19-13-8-14-20-28)36-43(5,37(51)34(49)32(24)42(45,3)4)30(48)21-31-44(36,23-56-31)59-25(2)47/h6-20,29-31,33-36,38,48-50,55H,21-23H2,1-5H3,(H,46,52)/t29-,30-,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1
SMILES C1(=C2C([C@@](C[C@@H]1OC(=O)[C@@H]([C@@H](NC(=O)c1ccccc1)c1ccccc1)O)([C@H]([C@H]1[C@](C(=O)[C@@H]2O)([C@H](C[C@@H]2[C@]1(CO2)OC(=O)C)O)C)OC(=O)c1ccccc1)O)(C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
PlantaeTaxaceaeTaxus brevifolia Ref.
PlantaeTaxaceaeTaxus canadensis Ref.
PlantaeTaxaceaeTaxus chinensis Ref.
PlantaeTaxaceaeTaxus cuspidata Ref.
PlantaeTaxaceaeTaxus wallichiana Ref.
PlantaeTaxaceaeTaxus yunnanensis Ref.
zoom in