input word = C00031575

Metabolite InformationStructural formula
Name Ailantinol B
(+)-Ailantinol B
Formula C20H26O8
Mw 394.16276781
CAS RN 177794-39-7
C_ID C00031575 ,
InChIKey WTDQKXYYDYGVFN-DONNHGTGNA-N
InChICode InChI=1S/C20H26O8/c1-8-4-10(21)14(23)17(2)9(8)5-12-19-7-27-20(26,15(17)19)16(24)18(3,25)11(19)6-13(22)28-12/h4,9,11-12,14-16,23-26H,5-7H2,1-3H3/t9-,11-,12+,14+,15+,16+,17+,18-,19+,20+/m0/s1
SMILES C1(=O)C=C([C@H]2[C@]([C@@H]1O)([C@@H]1[C@@]34[C@@H](C2)OC(=O)C[C@H]3[C@@]([C@H]([C@@]1(OC4)O)O)(O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeAilanthus altissima Ref.
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