input word = C00047872

Metabolite InformationStructural formula
Name Excelside A
Formula C24H36O16
Mw 580.20033511
CAS RN 1149762-75-3
C_ID C00047872 ,
InChIKey KIYJRYWOZVDCRC-CUWAMFTINA-N
InChICode InChI=1S/C24H36O16/c1-4-9-10(5-14(26)34-2)11(21(33)35-3)7-36-22(9)40-24-20(32)18(30)16(28)13(39-24)8-37-23-19(31)17(29)15(27)12(6-25)38-23/h4,7,10,12-13,15-20,22-25,27-32H,5-6,8H2,1-3H3/b9-4+/t10-,12+,13+,15+,16+,17-,18-,19+,20+,22-,23+,24-/m0/s1
SMILES C1(=CO[C@H](/C(=C\C)/[C@@H]1CC(=O)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O)O)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeFraxinus excelsior Ref.
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