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CHEBI:200974 - Austalide R

ChEBI IDCHEBI:200974
ChEBI NameAustalide R
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O9
Net Charge0
Average Mass476.522
Monoisotopic Mass476.20463
SMILESCOc1c2c(c(C)c3c1[C@@H](O)[C@H]1[C@](C)(C[C@@H](O)[C@]45O[C@](O)(CC[C@]14C)OC5(C)C)O3)COC2=O
InChIInChI=1S/C25H32O9/c1-11-12-10-31-20(28)14(12)18(30-6)15-16(27)19-22(4)7-8-24(29)33-21(2,3)25(22,34-24)13(26)9-23(19,5)32-17(11)15/h13,16,19,26-27,29H,7-10H2,1-6H3/t13-,16-,19-,22-,23+,24+,25-/m1/s1
InChIKeyPUKOIDBGERLELO-BPVTVUGRSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - DOI (10.1016/j.tetlet.2014.02.062)
ChEBI Ontology
Outgoing Relation(s)
Austalide R (CHEBI:200974) is a xanthenes (CHEBI:38835)
IUPAC Name 
(1R,2R,4S,15S,16S,17R,20S)-2,15,20-trihydroxy-13-methoxy-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
32675112ChemSpider