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CHEBI:219264 - 13-O-deacetylaustalide I

ChEBI IDCHEBI:219264
ChEBI Name13-O-deacetylaustalide I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O7
Net Charge0
Average Mass444.524
Monoisotopic Mass444.21480
SMILESCOc1c2c(c(C)c3c1C(=O)OC3)O[C@]1(C)C[C@H](O)[C@@H]3C(C)(C)OC(=O)CC[C@@]3(C)[C@@H]1C2
InChIInChI=1S/C25H32O7/c1-12-14-11-30-22(28)18(14)20(29-6)13-9-16-24(4)8-7-17(27)31-23(2,3)21(24)15(26)10-25(16,5)32-19(12)13/h15-16,21,26H,7-11H2,1-6H3/t15-,16-,21+,24-,25+/m0/s1
InChIKeyGBKCPBPYMRGRKL-UOFJDZAFSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (24852445)
ChEBI Ontology
Outgoing Relation(s)
13-O-deacetylaustalide I (CHEBI:219264) is a xanthenes (CHEBI:38835)
IUPAC Name 
(1R,13S,14S,20R,21S)-21-hydroxy-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
78440398ChemSpider