input word = C00031371

Metabolite InformationStructural formula
Name Shinjulactone A
(+)-Shinjulactone A
Formula C20H26O7
Mw 378.16785319
CAS RN 89353-91-3
C_ID C00031371 ,
InChIKey RSGAOKBKALIZEE-HAMXZUGMNA-N
InChICode InChI=1S/C20H26O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,10-13,15-17,21,23-25H,2,5-7H2,1,3H3/t10-,11-,12-,13+,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]3C(=C)[C@H]([C@]1(O)OC4)O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeAilanthus altissima Ref.
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