input word = C00040233

Metabolite InformationStructural formula
Name Saundersioside E
(-)-Saundersioside E
Formula C46H64O15
Mw 856.42452138
CAS RN 153005-22-2
C_ID C00040233 ,
InChIKey DBISGXLGRVQZTK-HBSQVHTNNA-N
InChICode InChI=1S/C46H64O15/c1-21(2)16-29-22(3)34-32(58-42(29)55)18-31-28-11-8-25-17-27(12-14-45(25,5)30(28)13-15-46(31,34)20-48)57-44-40(36(51)35(50)33(19-47)59-44)61-43-38(53)37(52)39(23(4)56-43)60-41(54)24-6-9-26(49)10-7-24/h6-10,16,20,22-23,27-40,42-44,47,49-53,55H,11-15,17-19H2,1-5H3/t22-,23+,27+,28-,29-,30+,31+,32+,33-,34+,35-,36+,37-,38-,39+,40-,42-,43?,44-,45+,46-/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)O)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)C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeOrnithogalum saundersiae Ref.
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