input word = C00054161

Metabolite InformationStructural formula
Name 4-Deacetylneosolaniol
Formula C17H24O7
Mw 340.15220312
CAS RN 74833-39-9
C_ID C00054161
InChIKey FCLYQYOJLQDQNA-UETZSBHESA-N
InChICode InChI=1S/C17H24O7/c1-8-4-11-16(5-10(8)19,6-22-9(2)18)15(3)13(21)12(20)14(24-11)17(15)7-23-17/h4,10-14,19-21H,5-7H2,1-3H3/t10-,11+,12+,13+,14+,15?,16+,17?/m0/s1
SMILES CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](O)C2(C)C12CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium heterosporum Ref.
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OrganismFusarium heterosporum
ReferenceBamburg, J.R. et al., Tetrahedron, 1968, 24, 3329-3336 (T2 Toxin, 4,15-di-Ac, isol, struct)