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CHEBI:224141 - Austalide A

ChEBI IDCHEBI:224141
ChEBI NameAustalide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36O9
Net Charge0
Average Mass516.587
Monoisotopic Mass516.23593
SMILESCOc1c2c(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
InChIInChI=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
InChIKeyJVCNHGXAVMINTN-QBNAFFQBSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ustus (ncbitaxon:40382) - DOI (10.1039/c39810001265)
ChEBI Ontology
Outgoing Relation(s)
Austalide A (CHEBI:224141) is a xanthenes (CHEBI:38835)
IUPAC Name 
[(1R,2R,4S,16R,17R,20S)-13,20-dimethoxy-4,7,17,22,22-pentamethyl-11-oxo-5,10,21,23-tetraoxahexacyclo[18.2.1.01,17.04,16.06,14.08,12]tricosa-6(14),7,12-trien-2-yl] acetate
Manual XrefsDatabases
138996ChemSpider