Isobutyrolactone II (CHEBI:197948)

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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	Isobutyrolactone II

ChEBI ID	CHEBI:197948

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H16O6

Net Charge

Average Mass

328.320

Monoisotopic Mass

328.09469

InChI

InChI=1S/C18H16O6/c1-23-18(10-11-2-6-13(19)7-3-11)15(16(21)17(22)24-18)12-4-8-14(20)9-5-12/h2-9,19-21H,10H2,1H3/t18-/m1/s1

InChIKey

NIRMZWVJIJSJIF-GOSISDBHSA-N

SMILES

O=C1O[C@](OC)(CC2=CC=C(O)C=C2)C(=C1O)C3=CC=C(O)C=C3

Metabolite of Species	Details
Aspergillus terreus (NCBI:txid33178)	See: DOI

ChEBI Ontology
Outgoing	Isobutyrolactone II (CHEBI:197948) is a phenols (CHEBI:33853)

IUPAC Name

(5R)-3-hydroxy-4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methyl]-5-methoxyuran-2-one