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CHEBI:212980 - 13-deacetoxyaustalide I

ChEBI IDCHEBI:212980
ChEBI Name13-deacetoxyaustalide I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O6
Net Charge0
Average Mass428.525
Monoisotopic Mass428.21989
SMILESCOc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)CC[C@@H]3C(C)(C)OC(=O)CC[C@@]3(C)[C@@H]1C2
InChIInChI=1S/C25H32O6/c1-13-15-12-29-22(27)19(15)21(28-6)14-11-17-24(4)9-8-18(26)30-23(2,3)16(24)7-10-25(17,5)31-20(13)14/h16-17H,7-12H2,1-6H3/t16-,17+,24-,25-/m1/s1
InChIKeyIPIYDMBLPWQZGB-AXNGDHQNSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (24852445)
ChEBI Ontology
Outgoing Relation(s)
13-deacetoxyaustalide I (CHEBI:212980) is a xanthenes (CHEBI:38835)
IUPAC Name 
(1R,13S,14R,20S)-10-methoxy-1,4,14,19,19-pentamethyl-2,7,18-trioxapentacyclo[11.9.0.03,11.05,9.014,20]docosa-3(11),4,9-triene-8,17-dione
Manual XrefsDatabases
78440482ChemSpider