input word = C00003697

Metabolite InformationStructural formula
Name Ailanthone
Formula C20H24O7
Mw 376.15220312
CAS RN 981-15-7
C_ID C00003697 ,
InChIKey WBBVXGHSWZIJST-ODURYRKCNA-N
InChICode InChI=1S/C20H24O7/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/h4,10-11,13,15-17,23-25H,2,5-7H2,1,3H3/t10-,11-,13+,15+,16+,17+,18+,19+,20-/m0/s1
SMILES C=C1[C@@H](O)[C@]2(O)OC[C@]34[C@H]2[C@@]2(C)[C@H](O)C(=O)C=C(C)[C@@H]2C[C@H]3OC(=O)C[C@@H]14
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeAilanthus altissima Ref.
PlantaeSimaroubaceaeAilanthus excelsa Ref.
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OrganismAilanthus altissima
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter58