Austrobailignan 7 (CHEBI:175347)

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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	Austrobailignan 7

ChEBI ID	CHEBI:175347

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/c1-11-12(2)20(14-5-7-16-18(9-14)24-10-23-16)25-19(11)13-4-6-15(21)17(8-13)22-3/h4-9,11-12,19-21H,10H2,1-3H3/t11-,12-,19+,20-/m0/s1

InChIKey

JPDORDSJPIKURD-UAFHBQARSA-N

SMILES

O1[C@@H]([C@H]([C@@H]([C@@H]1C2=CC(OC)=C(O)C=C2)C)C)C3=CC=4OCOC4C=C3

ChEBI Ontology
Outgoing	Austrobailignan 7 (CHEBI:175347) is a lignan (CHEBI:25036)

IUPAC Name

4-[(2R,3S,4S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol