input word = C00010544

Metabolite InformationStructural formula
Name 6'-O-Apiosylebuloside
Formula C26H40O14
Mw 576.24180599
CAS RN 107882-65-5
C_ID C00010544 ,
InChIKey VKYOWGROFJYPNK-SUEYEPQWNA-N
InChICode InChI=1S/C26H40O14/c1-11(2)4-17(30)39-23-18-12(3)15(29)5-14(18)13(7-35-23)8-36-24-20(32)19(31)21(16(6-27)38-24)40-25-22(33)26(34,9-28)10-37-25/h7,11-12,14,16,18-25,27-28,31-34H,4-6,8-10H2,1-3H3/t12-,14+,16+,18-,19+,20-,21+,22+,23-,24+,25+,26-/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[C@@H]1[C@H]([C@](CO1)(O)CO)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 ebulus Ref.
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