input word = C00040848

Metabolite InformationStructural formula
Name 7-Xylosyltaxol
Formula C52H59NO18
Mw 985.37321409
CAS RN 90332-66-4
C_ID C00040848 ,
InChIKey ZVEGOBHUZTXSFK-QNPVEAPNNA-N
InChICode InChI=1S/C52H59NO18/c1-26-33(68-47(63)39(58)37(29-16-10-7-11-17-29)53-45(61)30-18-12-8-13-19-30)23-52(64)44(70-46(62)31-20-14-9-15-21-31)42-50(6,43(60)41(67-27(2)54)36(26)49(52,4)5)34(22-35-51(42,25-66-35)71-28(3)55)69-48-40(59)38(57)32(56)24-65-48/h7-21,32-35,37-42,44,48,56-59,64H,22-25H2,1-6H3,(H,53,61)/t32-,33+,34+,35-,37+,38+,39-,40-,41-,42+,44+,48+,50-,51+,52-/m1/s1
SMILES [C@@]12([C@@H]([C@]3([C@@H](C[C@@H]1O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)OC3)OC(=O)C)[C@@H]([C@@]1(C[C@@H](C(=C([C@H](C2=O)OC(=O)C)C1(C)C)C)OC(=O)[C@@H]([C@@H](NC(=O)c1ccccc1)c1ccccc1)O)O)OC(=O)c1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus brevifolia Ref.
PlantaeTaxaceaeTaxus wallichiana Ref.
PlantaeTaxaceaeTaxus yunnanensis Ref.
zoom in