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CHEBI:226858 - Butyrolactone VIII

ChEBI IDCHEBI:226858
ChEBI NameButyrolactone VIII
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H24O7
Net Charge0
Average Mass424.449
Monoisotopic Mass424.15220
SMILESCOC(=O)[C@]1(O)OC(=O)C(Cc2ccc(O)c(CC=C(C)C)c2)=C1c1ccc(O)cc1
InChIInChI=1S/C24H24O7/c1-14(2)4-6-17-12-15(5-11-20(17)26)13-19-21(16-7-9-18(25)10-8-16)24(29,23(28)30-3)31-22(19)27/h4-5,7-12,25-26,29H,6,13H2,1-3H3/t24-/m1/s1
InChIKeyPIDUNMNCDVJCLM-XMMPIXPASA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - DOI (10.1007/s11802-014-2324-z)
ChEBI Ontology
Outgoing Relation(s)
Butyrolactone VIII (CHEBI:226858) is a phenols (CHEBI:33853)
IUPAC Name 
methyl 2-hydroxy-4-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-oxouran-2-carboxylate
Manual XrefsDatabases
34981282ChemSpider