input word = C00010763

Metabolite InformationStructural formula
Name Isosweroside
Formula C16H22O9
Mw 358.1263823
CAS RN 104777-65-3
C_ID C00010763 ,
InChIKey OGVKNDDWHJWQJZ-RCWAGWGVNA-N
InChICode InChI=1S/C16H22O9/c1-2-8-9-3-11(18)25-15(8)22-5-7(9)6-23-16-14(21)13(20)12(19)10(4-17)24-16/h2,5,8-10,12-17,19-21H,1,3-4,6H2/t8-,9+,10+,12+,13+,14-,15+,16+/m0/s1
SMILES C=C[C@H]1[C@@H]2OC=C(CO[C@@H]3OC(CO)[C@@H](O)C(O)[C@@H]3O)[C@H]1CC(=O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAdoxaceaeSambucus ebulus Ref.
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OrganismSambucus ebulus
ReferenceGross,Helv.Chim.Acta,69,(1986),1113