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CHEBI:223011 - Pleosporalone E

ChEBI IDCHEBI:223011
ChEBI NamePleosporalone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O9
Net Charge0
Average Mass434.441
Monoisotopic Mass434.15768
SMILESCO[C@@H]1CO[C@@]2(CC3=CC(=O)[C@@](C)(O)[C@@H](OC(=O)c4c(C)cc(O)cc4O)[C@@H]3CO2)C1
InChIInChI=1S/C22H26O9/c1-11-4-13(23)6-16(24)18(11)20(26)31-19-15-10-30-22(8-14(28-3)9-29-22)7-12(15)5-17(25)21(19,2)27/h4-6,14-15,19,23-24,27H,7-10H2,1-3H3/t14-,15+,19-,21+,22+/m0/s1
InChIKeyCLDAFARNIIPXFB-XAKYZHLCSA-N
ChEBI Ontology
Outgoing Relation(s)
Pleosporalone E (CHEBI:223011) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
[(3S,4'S,7S,8S,8aS)-7-hydroxy-4'-methoxy-7-methyl-6-oxospiro[1,4,8,8a-tetrahydroisochromene-3,2'-oxolane]-8-yl] 2,4-dihydroxy-6-methylbenzoate
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