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CHEBI:191807 - Austalide K

Default Structure
ChEBI IDCHEBI:191807
ChEBI NameAustalide K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O5
Net Charge0
Average Mass412.526
Monoisotopic Mass412.22497
SMILES[H][C@]12Cc3c(c(C)c4c(c3OC)C(=O)OC4)O[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C
InChIInChI=1S/C25H32O5/c1-13-15-12-29-22(27)19(15)21(28-6)14-11-17-24(4)9-8-18(26)23(2,3)16(24)7-10-25(17,5)30-20(13)14/h16-17H,7-12H2,1-6H3/t16-,17+,24-,25-/m0/s1
InChIKeyJCUWKPURUZEBFJ-MZXZQTHYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Austalide K (CHEBI:191807) is a hydroxyisoflavans (CHEBI:76250)
IUPAC Name 
(1S,13R,14S,19R)-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
139990ChemSpider
Registry NumbersSources
CAS:87833-53-2ChemIDplus