CHEBI:226858 - Butyrolactone VIII

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Butyrolactone VIII
ChEBI ID CHEBI:226858
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C24H24O7
Net Charge 0
Average Mass 424.449
Monoisotopic Mass 424.15220
InChI InChI=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
InChIKey PIDUNMNCDVJCLM-XMMPIXPASA-N
SMILES O=C1O[C@@](O)(C(=O)OC)C(=C1CC2=CC(=C(O)C=C2)CC=C(C)C)C3=CC=C(O)C=C3
Metabolite of Species Details
Aspergillus terreus (NCBI:txid33178) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
34981282 ChemSpider
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