8-Acetoxypinoresinol (CHEBI:172658)

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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	8-Acetoxypinoresinol

ChEBI ID	CHEBI:172658

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H24O8

Net Charge

Average Mass

416.426

Monoisotopic Mass

416.14712

InChI

InChI=1S/C22H24O8/c1-12(23)30-22-11-29-20(13-4-6-16(24)18(8-13)26-2)15(22)10-28-21(22)14-5-7-17(25)19(9-14)27-3/h4-9,15,20-21,24-25H,10-11H2,1-3H3

InChIKey

NATDFORNCKZPCI-UHFFFAOYSA-N

SMILES

O1C(C2(OC(=O)C)C(C(OC2)C3=CC(OC)=C(O)C=C3)C1)C4=CC(OC)=C(O)C=C4

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). See: MetaboLights Study

ChEBI Ontology
Outgoing	8-Acetoxypinoresinol (CHEBI:172658) is a lignan (CHEBI:25036)

IUPAC Name

[3,6-bis(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-uro[3,4-c]uran-3a-yl] acetate