input word = C00046944

Metabolite InformationStructural formula
Name Surculoside B
Formula C39H62O14
Mw 754.41395669
CAS RN 295313-06-3
C_ID C00046944 ,
InChIKey ZYKIDZRKVIRJOT-XPHBXUJJNA-N
InChICode InChI=1S/C39H62O14/c1-16-15-48-39(13-25(16)50-36-34(47)32(45)30(43)26(14-40)51-36)17(2)28-24(53-39)12-23-21-7-6-19-10-20(41)11-27(38(19,5)22(21)8-9-37(23,28)4)52-35-33(46)31(44)29(42)18(3)49-35/h6,16-18,20-36,40-47H,7-15H2,1-5H3/t16-,17+,18-,20-,21-,22+,23+,24+,25+,26-,27-,28+,29+,30-,31+,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1
SMILES [C@H]1([C@@H]([C@H]([C@@H](O[C@@H]1C)O[C@@H]1C[C@@H](CC2=CC[C@@H]3[C@@H]([C@@]12C)CC[C@]1([C@H]3C[C@H]2[C@@H]1[C@@H]([C@]1(O2)C[C@@H]([C@@H](CO1)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDracaenaceaeDracaena surculosa Ref.
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