Sanshodiol (CHEBI:175604)

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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	Sanshodiol

ChEBI ID	CHEBI:175604

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H22O6

Net Charge

Average Mass

358.390

Monoisotopic Mass

358.14164

InChI

InChI=1S/C20H22O6/c1-23-18-8-13(3-4-16(18)22)20-15(9-21)14(10-24-20)6-12-2-5-17-19(7-12)26-11-25-17/h2-5,7-8,14-15,20-22H,6,9-11H2,1H3

InChIKey

GRYMYKQGSSTJBA-UHFFFAOYSA-N

SMILES

O1C(C(C(C1)CC2=CC=3OCOC3C=C2)CO)C4=CC(OC)=C(O)C=C4

ChEBI Ontology
Outgoing	Sanshodiol (CHEBI:175604) is a lignan (CHEBI:25036)

IUPAC Name

4-[4-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol