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CHEBI:212045 - Austalide T

ChEBI IDCHEBI:212045
ChEBI NameAustalide T
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O9
Net Charge0
Average Mass502.560
Monoisotopic Mass502.22028
SMILESCOC(=O)[C@@H]1C[C@]2(C)Oc3c(C)c4c(c(OC)c3C[C@@H]2[C@@]2(C)CC[C@]3(O)OC(C)(C)[C@]12O3)C(=O)OC4
InChIInChI=1S/C27H34O9/c1-13-15-12-33-22(29)18(15)20(31-6)14-10-17-24(4)8-9-26(30)35-23(2,3)27(24,36-26)16(21(28)32-7)11-25(17,5)34-19(13)14/h16-17,30H,8-12H2,1-7H3/t16-,17+,24+,25-,26-,27+/m0/s1
InChIKeyLKZIYLRVFOWRAZ-FAOHHPSDSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (27428982)
ChEBI Ontology
Outgoing Relation(s)
Austalide T (CHEBI:212045) is a xanthenes (CHEBI:38835)
IUPAC Name 
methyl (1S,2R,4S,16R,17R,20S)-20-hydroxy-13-methoxy-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-triene-2-carboxylate
Manual XrefsDatabases
58197062ChemSpider