input word = C00031577

Metabolite InformationStructural formula
Name Ailantinol D
(-)-Ailantinol D
Formula C20H24O8
Mw 392.14711774
CAS RN 185414-90-8
C_ID C00031577 ,
InChIKey HCCQYOZUJLRALB-ZHDQOOGTNA-N
InChICode InChI=1S/C20H24O8/c1-7-4-10(21)14(24)18(3)12(7)13(23)15-19-6-27-17(25)20(26,16(18)19)8(2)9(19)5-11(22)28-15/h4,8-9,12-16,23-24,26H,5-6H2,1-3H3/t8-,9+,12+,13-,14-,15-,16-,18+,19-,20-/m1/s1
SMILES C1(=O)C=C([C@@H]2[C@@]([C@@H]1O)([C@@H]1[C@@]34[C@@H]([C@@H]2O)OC(=O)C[C@H]3[C@H]([C@@]1(C(=O)OC4)O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeAilanthus altissima Ref.
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