input word = C00054601

Metabolite InformationStructural formula
Name Austalide J
Formula C25H32O7
Mw 444.21480338
CAS RN 87833-51-0
C_ID C00054601
InChIKey GEOMINBWFXSCOW-OCFMFRIESA-N
InChICode InChI=1S/C25H32O7/c1-13-15-12-30-21(27)18(15)20(29-6)14-11-16-23(4)8-7-17(26)31-22(2,3)25(23,28)10-9-24(16,5)32-19(13)14/h16,28H,7-12H2,1-6H3/t16-,23-,24+,25-/m1/s1
SMILES COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)CC[C@@]3(O)C(C)(C)OC(=O)CC[C@]3(C)[C@H]1C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus ustus Ref.
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OrganismAspergillus ustus
ReferenceHorak, R.M. et al., JCS Perkin 1, 1985, 363-367 (isol, struct, pmr)