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CHEBI:223022 - Pleosporalone G/H

ChEBI IDCHEBI:223022
ChEBI NamePleosporalone G/H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30O8
Net Charge0
Average Mass434.485
Monoisotopic Mass434.19407
SMILESCCC(CC1CC2=CC(=O)[C@@](C)(O)[C@@H](OC(=O)c3c(C)cc(O)cc3O)[C@@H]2CO1)OC
InChIInChI=1S/C23H30O8/c1-5-15(29-4)10-16-7-13-8-19(26)23(3,28)21(17(13)11-30-16)31-22(27)20-12(2)6-14(24)9-18(20)25/h6,8-9,15-17,21,24-25,28H,5,7,10-11H2,1-4H3/t15?,16?,17-,21+,23-/m1/s1
InChIKeyHVSHYHSSAQMWQE-BSAVFEBESA-N
ChEBI Ontology
Outgoing Relation(s)
Pleosporalone G/H (CHEBI:223022) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
[(7S,8S,8aS)-7-hydroxy-3-(2-methoxybutyl)-7-methyl-6-oxo-3,4,8,8a-tetrahydro-1H-isochromen-8-yl] 2,4-dihydroxy-6-methylbenzoate
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