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CHEBI:172091 - Austalide L

ChEBI IDCHEBI:172091
ChEBI NameAustalide L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O6
Net Charge0
Average Mass428.525
Monoisotopic Mass428.21989
SMILES[H][C@]12Cc3c(c(C)c4c(c3OC)C(=O)OC4)O[C@@]1(C)CC[C@@]1(O)C(C)(C)C(=O)CC[C@]21C
InChIInChI=1S/C25H32O6/c1-13-15-12-30-21(27)18(15)20(29-6)14-11-16-23(4)8-7-17(26)22(2,3)25(23,28)10-9-24(16,5)31-19(13)14/h16,28H,7-12H2,1-6H3/t16-,23-,24+,25-/m1/s1
InChIKeyXTSSAALSNSPVIH-OCFMFRIESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Austalide L (CHEBI:172091) is a hydroxyisoflavans (CHEBI:76250)
IUPAC Name 
(1S,13R,14R,19S)-19-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
58828583ChemSpider
Registry NumbersSources
CAS:87833-52-1ChemIDplus