input word = C00040236

Metabolite InformationStructural formula
Name Saundersioside H
(-)-Saundersioside H
Formula C47H68O15
Mw 872.4558215
CAS RN 174867-67-5
C_ID C00040236 ,
InChIKey SQNUSCXEWDXTJR-PZEJGPDVNA-N
InChICode InChI=1S/C47H68O15/c1-22(2)17-30-23(3)35-33(59-43(30)55)19-32-29-12-9-26-18-28(13-15-46(26,5)31(29)14-16-47(32,35)21-49)58-45-41(37(51)36(50)34(20-48)60-45)62-44-39(53)38(52)40(24(4)57-44)61-42(54)25-7-10-27(56-6)11-8-25/h7-11,17,23-24,28-41,43-45,48-53,55H,12-16,18-21H2,1-6H3/t23-,24+,28+,29-,30-,31+,32+,33+,34-,35+,36+,37+,38+,39-,40+,41-,43-,44+,45-,46+,47-/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)C)OC(=O)c1ccc(cc1)OC)O)O)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)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeOrnithogalum saundersiae Ref.
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