input word = C00010543

Metabolite InformationStructural formula
Name Ebuloside
Formula C21H32O10
Mw 444.19954724
CAS RN 103553-93-1
C_ID C00010543 ,
InChIKey XKQWFBQKSSYGBS-SGLITUGPNA-N
InChICode InChI=1S/C21H32O10/c1-9(2)4-15(24)31-20-16-10(3)13(23)5-12(16)11(7-28-20)8-29-21-19(27)18(26)17(25)14(6-22)30-21/h7,9-10,12,14,16-22,25-27H,4-6,8H2,1-3H3/t10-,12+,14-,16-,17+,18+,19-,20-,21+/m0/s1
SMILES [C@H]12[C@@H]([C@@H](OC=C1CO[C@@H]1O[C@H]([C@H]([C@H]([C@@H]1O)O)O)CO)OC(=O)CC(C)C)[C@H](C(=O)C2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAdoxaceaeSambucus australis Ref.
PlantaeAdoxaceaeSambucus canadensis Ref.
PlantaeAdoxaceaeSambucus ebulus Ref.
PlantaeAdoxaceaeSambucus pubens Ref.
PlantaeAdoxaceaeSambucus racemosa Ref.
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