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 COC[C@@]12[C@H]3C(=O)[C@@]4(O)C5(C)[C@@H]1CC(=O)O[C@@H]2CC51C(C)=CC(=O)[C@@]4(O)[C@]31C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeAilanthus altissima Ref.
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