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CHEBI:212697 - 17S-dihydroaustalide K

ChEBI IDCHEBI:212697
ChEBI Name17S-dihydroaustalide K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O5
Net Charge0
Average Mass414.542
Monoisotopic Mass414.24062
SMILESCOc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]3(C)[C@H]1C2
InChIInChI=1S/C25H34O5/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/h16-18,26H,7-12H2,1-6H3/t16-,17+,18-,24-,25-/m0/s1
InChIKeyHNMHZCNKQFPENH-PFEJRHLYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (24852445)
ChEBI Ontology
Outgoing Relation(s)
17S-dihydroaustalide K (CHEBI:212697) is a hydroxyisoflavans (CHEBI:76250)
IUPAC Name 
(1S,13R,14S,17S,19R)-17-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-trien-8-one
Manual XrefsDatabases
32674953ChemSpider