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CHEBI:204066 - Austalide O

ChEBI IDCHEBI:204066
ChEBI NameAustalide O
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O9
Net Charge0
Average Mass490.549
Monoisotopic Mass490.22028
SMILESCOc1c2c(c(C)c3c1[C@@H](O)[C@H]1[C@](C)(C[C@@H](O)[C@]45O[C@](OC)(CC[C@]14C)OC5(C)C)O3)COC2=O
InChIInChI=1S/C26H34O9/c1-12-13-11-32-21(29)15(13)19(30-6)16-17(28)20-23(4)8-9-25(31-7)34-22(2,3)26(23,35-25)14(27)10-24(20,5)33-18(12)16/h14,17,20,27-28H,8-11H2,1-7H3/t14-,17-,20-,23-,24+,25+,26-/m1/s1
InChIKeyRWUXVAPZLXXYCR-KVFIAQGVSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (25855820)
ChEBI Ontology
Outgoing Relation(s)
Austalide O (CHEBI:204066) is a xanthenes (CHEBI:38835)
IUPAC Name 
(1R,2R,4S,15S,16S,17R,20S)-2,15-dihydroxy-13,20-dimethoxy-4,7,17,22,22-pentamethyl-5,10,21,23-tetraoxahexacyclo[18.2.1.01,17.04,16.06,14.08,12]tricosa-6(14),7,12-trien-11-one
Manual XrefsDatabases
28185034ChemSpider