2'-Hydroxyenterolactone (CHEBI:175033)

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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	2'-Hydroxyenterolactone

ChEBI ID	CHEBI:175033

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

InChIKey

NHWWOCIDXQDDJV-DZGCQCFKSA-N

SMILES

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

ChEBI Ontology
Outgoing	2'-Hydroxyenterolactone (CHEBI:175033) is a lignan (CHEBI:25036)

IUPAC Name

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