input word = C00031578

Metabolite InformationStructural formula
Name Ailantinol E
(-)-Ailantinol E
Formula C21H24O7
Mw 388.15220312
CAS RN 625394-91-4
C_ID C00031578 ,
InChIKey RSBGJWBXFGBAHB-XKYUFVFXNA-N
InChICode InChI=1S/C21H24O7/c1-9-5-11(22)20(25)17(3)14-15(24)21(20,26)16(2)10-6-13(23)28-12(7-19(9,16)17)18(10,14)8-27-4/h5,10,12,14,25-26H,6-8H2,1-4H3/t10-,12+,14-,16-,17+,18+,19-,20+,21+/m0/s1
SMILES [C@@]12(COC)[C@H]3C[C@@]45[C@]([C@@H]2CC(=O)O3)([C@]2([C@@](C(=O)C=C4C)([C@@]5([C@@H]1C2=O)C)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeAilanthus altissima Ref.
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OrganismAilanthus altissima
ReferenceTamura,Chem.Pharm.Bull.,51,(2003),385