4-O-demethylisobutyrolactone II (CHEBI:218556)

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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	4-O-demethylisobutyrolactone II

ChEBI ID	CHEBI:218556

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H14O6

Net Charge

Average Mass

314.293

Monoisotopic Mass

314.07904

InChI

InChI=1S/C17H14O6/c18-12-5-1-10(2-6-12)9-17(22)14(15(20)16(21)23-17)11-3-7-13(19)8-4-11/h1-8,18-20,22H,9H2/t17-/m1/s1

InChIKey

UJWXDHBTYAGSML-QGZVFWFLSA-N

SMILES

O=C1O[C@](O)(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	4-O-demethylisobutyrolactone II (CHEBI:218556) is a phenols (CHEBI:33853)

IUPAC Name

(5R)-3,5-dihydroxy-4-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methyl]uran-2-one