input word = C00054592

Metabolite InformationStructural formula
Name Austalide A
Formula C28H36O9
Mw 516.23593275
CAS RN 81543-01-3
C_ID C00054592
InChIKey JVCNHGXAVMINTN-QBNAFFQBSA-N
InChICode InChI=1S/C28H36O9/c1-14-17-13-33-23(30)20(17)22(31-7)16-11-18-25(5)9-10-27(32-8)36-24(3,4)28(25,37-27)19(34-15(2)29)12-26(18,6)35-21(14)16/h18-19H,9-13H2,1-8H3/t18-,19-,25-,26+,27+,28-/m1/s1
SMILES COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)C[C@@H](OC(C)=O)[C@]34O[C@](OC)(CC[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)