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CHEBI:225757 - Austalide W

ChEBI IDCHEBI:225757
ChEBI NameAustalide W
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O6
Net Charge0
Average Mass428.525
Monoisotopic Mass428.21989
SMILESCOc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)C[C@@H](O)[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]1C2
InChIInChI=1S/C25H32O6/c1-12-14-11-30-22(28)18(14)20(29-6)13-9-16-24(4)8-7-17(27)23(2,3)21(24)15(26)10-25(16,5)31-19(12)13/h15-16,21,26H,7-11H2,1-6H3/t15-,16-,21+,24-,25+/m1/s1
InChIKeyFTNKYROKGZYOEU-JSGMTKEVSA-N
Species of MetaboliteComponentSourceComments
Penicillium rudallense (ncbitaxon:1562030) - PubMed (31710223)
ChEBI Ontology
Outgoing Relation(s)
Austalide W (CHEBI:225757) is a hydroxyisoflavans (CHEBI:76250)
IUPAC Name 
(1S,13R,14S,19R,20R)-20-hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-3(11),4,9-triene-8,17-dione
Manual XrefsDatabases
81361079ChemSpider