5-Hydroxyenterolactone (CHEBI:175037)

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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	5-Hydroxyenterolactone

ChEBI ID	CHEBI:175037

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H18O5

Net Charge

Average Mass

314.337

Monoisotopic Mass

314.11542

InChI

InChI=1S/C18H18O5/c19-14-3-1-2-11(5-14)4-13-10-23-18(22)17(13)8-12-6-15(20)9-16(21)7-12/h1-3,5-7,9,13,17,19-21H,4,8,10H2/t13-,17+/m0/s1

InChIKey

VZASJFJTVXPGCE-SUMWQHHRSA-N

SMILES

O1C[C@@H]([C@@H](CC2=CC(O)=CC(O)=C2)C1=O)CC3=CC(O)=CC=C3

ChEBI Ontology
Outgoing	5-Hydroxyenterolactone (CHEBI:175037) is a lignan (CHEBI:25036)

IUPAC Name

(3R,4R)-3-[(3,5-dihydroxyphenyl)methyl]-4-[(3-hydroxyphenyl)methyl]oxolan-2-one