7-Hydroxyaustrobailignan 5 (CHEBI:175351)

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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	7-Hydroxyaustrobailignan 5

ChEBI ID	CHEBI:175351

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H22O5

Net Charge

Average Mass

342.391

Monoisotopic Mass

342.14672

InChI

InChI=1S/C20H22O5/c1-12(7-14-3-5-16-18(8-14)24-10-22-16)13(2)20(21)15-4-6-17-19(9-15)25-11-23-17/h3-6,8-9,12-13,20-21H,7,10-11H2,1-2H3

InChIKey

SDXLCXZRXWWAGW-UHFFFAOYSA-N

SMILES

OC(C(C(CC1=CC=2OCOC2C=C1)C)C)C3=CC=4OCOC4C=C3

ChEBI Ontology
Outgoing	7-Hydroxyaustrobailignan 5 (CHEBI:175351) is a lignan (CHEBI:25036)

IUPAC Name

1,4-bis(1,3-benzodioxol-5-yl)-2,3-dimethylbutan-1-ol