input word = C00040759

Metabolite InformationStructural formula
Name 10-Deacetyltaxol-7-xyloside
(-)-10-Deacetyltaxol-7-xyloside
Formula C50H57NO17
Mw 943.3626494
CAS RN 90332-63-1
C_ID C00040759 ,
InChIKey ORKLEZFXASNLFJ-MNAWJZGHNA-N
InChICode InChI=1S/C50H57NO17/c1-25-31(65-45(61)38(56)35(27-15-9-6-10-16-27)51-43(59)28-17-11-7-12-18-28)22-50(62)42(67-44(60)29-19-13-8-14-20-29)40-48(5,41(58)37(55)34(25)47(50,3)4)32(21-33-49(40,24-64-33)68-26(2)52)66-46-39(57)36(54)30(53)23-63-46/h6-20,30-33,35-40,42,46,53-57,62H,21-24H2,1-5H3,(H,51,59)/t30-,31+,32+,33-,35+,36+,37-,38-,39-,40+,42+,46+,48-,49+,50-/m1/s1
SMILES [C@@H]1([C@H]2[C@](C(=O)[C@@H](C3=C([C@H](C[C@@]1(C3(C)C)O)OC(=O)[C@@H]([C@@H](NC(=O)c1ccccc1)c1ccccc1)O)C)O)([C@H](C[C@@H]1[C@]2(CO1)OC(=O)C)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)C)OC(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
PlantaeTaxaceaeTaxus brevifolia Ref.
PlantaeTaxaceaeTaxus cuspidata Ref.
PlantaeTaxaceaeTaxus wallichiana Ref.
PlantaeTaxaceaeTaxus yunnanensis Ref.
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