input word = C00036019

Metabolite InformationStructural formula
Name 7-(beta-xylosyl)taxol C
Formula C51H65NO18
Mw 979.42016428
CAS RN 90332-67-5
C_ID C00036019 ,
InChIKey PRSNJXPAQBUJBL-SHOQWBCBNA-N
InChICode InChI=1S/C51H65NO18/c1-8-9-12-21-35(56)52-37(29-17-13-10-14-18-29)39(58)46(62)67-32-23-51(63)44(69-45(61)30-19-15-11-16-20-30)42-49(7,43(60)41(66-27(3)53)36(26(32)2)48(51,5)6)33(22-34-50(42,25-65-34)70-28(4)54)68-47-40(59)38(57)31(55)24-64-47/h10-11,13-20,31-34,37-42,44,47,55,57-59,63H,8-9,12,21-25H2,1-7H3,(H,52,56)/t31-,32+,33+,34-,37+,38+,39-,40-,41-,42+,44+,47+,49-,50+,51-/m1/s1
SMILES [C@H]1(C2=C([C@H](C[C@@]([C@H]([C@H]3[C@](C1=O)([C@H](C[C@@H]1[C@]3(CO1)OC(=O)C)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)C)OC(=O)c1ccccc1)(C2(C)C)O)OC(=O)[C@@H]([C@@H](NC(=O)CCCCC)c1ccccc1)O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus yunnanensis Ref.
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