input word = C00054595

Metabolite InformationStructural formula
Name Austalide D
Formula C28H36O10
Mw 532.23084737
CAS RN 81543-04-6
C_ID C00054595
InChIKey WDGSJYYXVXQQHP-OPQAPENCSA-N
InChICode InChI=1S/C28H36O10/c1-13-16-12-34-23(31)20(16)22(32-7)15-9-17-25(5,36-21(13)15)10-18(30)28-24(3,4)37-27(33-8,38-28)11-19(26(17,28)6)35-14(2)29/h17-19,30H,9-12H2,1-8H3/t17-,18+,19+,25-,26-,27-,28+/m0/s1
SMILES COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)C[C@@H](O)[C@]34O[C@](OC)(C[C@@H](OC(C)=O)[C@]3(C)[C@H]1C2)OC4(C)C
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, 345-356 (isol, struct, pmr)