input word = C00040850

Metabolite InformationStructural formula
Name 7-Xylosyltaxol C
(+)-7-Xylosyltaxol C
Formula C49H63NO17
Mw 937.4095996
CAS RN 90332-65-3
C_ID C00040850 ,
InChIKey XGWGQEYABFGJID-KYXHFCEENA-N
InChICode InChI=1S/C49H63NO17/c1-7-8-11-20-33(53)50-35(27-16-12-9-13-17-27)38(56)44(60)64-30-22-49(61)42(66-43(59)28-18-14-10-15-19-28)40-47(6,41(58)37(55)34(25(30)2)46(49,4)5)31(21-32-48(40,24-63-32)67-26(3)51)65-45-39(57)36(54)29(52)23-62-45/h9-10,12-19,29-32,35-40,42,45,52,54-57,61H,7-8,11,20-24H2,1-6H3,(H,50,53)/t29-,30+,31+,32-,35+,36+,37-,38-,39-,40+,42+,45+,47-,48+,49-/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)O)C1(C)C)C)OC(=O)[C@@H]([C@@H](NC(=O)CCCCC)c1ccccc1)O)O)OC(=O)c1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
PlantaeTaxaceaeTaxus cuspidata Ref.
PlantaeTaxaceaeTaxus yunnanensis Ref.
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