input word = C00046945

Metabolite InformationStructural formula
Name Surculoside C
(-)-Surculoside C
Formula C45H72O18
Mw 900.4718655
CAS RN 295313-09-6
C_ID C00046945 ,
InChIKey MIMYBDQJJFLDTI-IFTRACILNA-N
InChICode InChI=1S/C45H72O18/c1-17-16-56-45(14-27(17)59-41-38(55)35(52)33(50)28(15-46)60-41)18(2)30-26(63-45)13-25-23-8-7-21-11-22(47)12-29(44(21,6)24(23)9-10-43(25,30)5)61-42-39(36(53)32(49)20(4)58-42)62-40-37(54)34(51)31(48)19(3)57-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20-,22-,23-,24+,25+,26+,27+,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,39-,40+,41-,42+,43+,44+,45-/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)OC[C@H]([C@H](C1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDracaenaceaeDracaena surculosa Ref.
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