input word = C00031576

Metabolite InformationStructural formula
Name Ailantinol C
(-)-Ailantinol C
Formula C20H26O7
Mw 378.16785319
CAS RN 185414-86-2
C_ID C00031576 ,
InChIKey CTTCLRYSVNVYJB-ALSIKRINNA-N
InChICode InChI=1S/C20H26O7/c1-8-4-10(21)14(23)17(2)9(8)5-12-19-7-25-20(24,15(17)19)16-18(3,27-16)11(19)6-13(22)26-12/h4,9-12,14-16,21,23-24H,5-7H2,1-3H3/t9-,10-,11-,12+,14+,15+,16+,17+,18+,19+,20+/m0/s1
SMILES [C@@H]1(C=C([C@H]2[C@]([C@@H]1O)([C@@H]1[C@@]34[C@@H](C2)OC(=O)C[C@H]3[C@@]2([C@H]([C@@]1(OC4)O)O2)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeAilanthus altissima Ref.
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