input word = C00040231

Metabolite InformationStructural formula
Name Saundersioside C
(-)-
Formula C45H70O18
Mw 898.45621543
CAS RN 153005-20-0
C_ID C00040231 ,
InChIKey VJNPBAMSXMUBQT-UUNTUBJVNA-N
InChICode InChI=1S/C45H70O18/c1-18(2)12-24-19(3)30-27(59-40(24)56)14-26-23-7-6-21-13-22(8-10-44(21,5)25(23)9-11-45(26,30)17-48)58-42-38(35(53)32(50)28(15-46)60-42)63-43-39(36(54)33(51)29(16-47)61-43)62-41-37(55)34(52)31(49)20(4)57-41/h6,12,17,19-20,22-43,46-47,49-56H,7-11,13-16H2,1-5H3/t19-,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 C12=CC[C@@H]3[C@@H]([C@]1(CC[C@@H](C2)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)CO)C)CC[C@]1([C@H]3C[C@H]2[C@@H]1[C@@H]([C@H]([C@@H](O2)O)C=C(C)C)C)C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeOrnithogalum saundersiae Ref.
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