input word = C00033722

Metabolite InformationStructural formula
Name Ciliatoside B
(-)-Ciliatoside B
Formula C41H48O23
Mw 908.25863784
CAS RN 303085-28-1
C_ID C00033722 ,
InChIKey WXAISWUHCSJJHM-GNAJIDDKNA-N
InChICode InChI=1S/C41H48O23/c1-52-23-6-17-18(7-24(23)53-2)31(19-8-54-35(49)27(19)26(17)16-3-4-22-25(5-16)61-15-60-22)62-39-34(41(51,14-59-39)13-57-36-29(46)28(45)20(43)9-55-36)64-37-30(47)32(21(44)10-56-37)63-38-33(48)40(50,11-42)12-58-38/h3-7,20-21,28-30,32-34,36-39,42-48,50-51H,8-15H2,1-2H3/t20-,21+,28-,29-,30-,32+,33+,34+,36+,37+,38+,39+,40-,41+/m1/s1
SMILES c12c(c(c3c(c1O[C@H]1[C@@H]([C@](CO1)(O)CO[C@@H]1OC[C@H]([C@H]([C@H]1O)O)O)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O[C@H]1[C@@H]([C@@](CO1)(O)CO)O)O)cc(c(c3)OC)OC)c1cc3c(cc1)OCO3)C(=O)OC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeJusticia procumbens Ref.
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