input word = C00040758

Metabolite InformationStructural formula
Name 7-Xylosyltaxol B
10-Deacetylcephalomannine 7-xyloside
Formula C48H59NO17
Mw 921.37829947
CAS RN 90332-64-2
C_ID C00040758 ,
InChIKey YAOWLIDDDUBAEI-YHGSRWPNNA-N
InChICode InChI=1S/C48H59NO17/c1-8-23(2)41(57)49-33(26-15-11-9-12-16-26)36(54)43(59)63-29-20-48(60)40(65-42(58)27-17-13-10-14-18-27)38-46(7,39(56)35(53)32(24(29)3)45(48,5)6)30(19-31-47(38,22-62-31)66-25(4)50)64-44-37(55)34(52)28(51)21-61-44/h8-18,28-31,33-38,40,44,51-55,60H,19-22H2,1-7H3,(H,49,57)/b23-8+/t28-,29+,30+,31-,33+,34+,35-,36-,37-,38+,40+,44+,46-,47+,48-/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)/C(=C/C)/C)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 yunnanensis Ref.
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