input word = C00003696

Metabolite InformationStructural formula
Name Ailanthinone
Formula C25H34O9
Mw 478.22028269
CAS RN 53683-73-1
C_ID C00003696 ,
InChIKey GCIFFNDSOLTCAI-SIOLNWFXNA-N
InChICode InChI=1S/C25H34O9/c1-6-10(2)20(29)34-17-16-12(4)18(27)25(31)22-23(5)13(11(3)7-14(26)19(23)28)8-15(33-21(17)30)24(16,22)9-32-25/h7,10,12-13,15-19,22,27-28,31H,6,8-9H2,1-5H3/t10-,12+,13-,15+,16+,17+,18+,19+,22+,23+,24-,25-/m0/s1
SMILES CCC(C)C(=O)O[C@H]1C(=O)O[C@@H]2C[C@H]3C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@H]3[C@@]4(O)OC[C@]32[C@@H]1[C@@H](C)[C@H]4O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeAilanthus altissima Ref.
PlantaeSimaroubaceaeAilanthus triphylla Ref.
PlantaeSimaroubaceaeAllanthus excelsa Ref.
PlantaeSimaroubaceaeHannoa undulata Planch. Ref.
PlantaeSimaroubaceaePierreodendron kerstingii Ref.
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OrganismPierreodendron kerstingii
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter58