4-Hydroxyenterodiol (CHEBI:175080)

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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-Hydroxyenterodiol

ChEBI ID	CHEBI:175080

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H22O5

Net Charge

Average Mass

318.369

Monoisotopic Mass

318.14672

InChI

InChI=1S/C18H22O5/c19-10-14(6-12-2-1-3-16(21)8-12)15(11-20)7-13-4-5-17(22)18(23)9-13/h1-5,8-9,14-15,19-23H,6-7,10-11H2

InChIKey

SSJFHTSLUHPBHD-UHFFFAOYSA-N

SMILES

OCC(C(CC1=CC(O)=CC=C1)CO)CC2=CC(O)=C(O)C=C2

ChEBI Ontology
Outgoing	4-Hydroxyenterodiol (CHEBI:175080) is a lignan (CHEBI:25036)

IUPAC Name

4-[2,3-bis(hydroxymethyl)-4-(3-hydroxyphenyl)butyl]benzene-1,2-diol