Sesaminone (CHEBI:204014)

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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	Sesaminone

ChEBI ID	CHEBI:204014

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H18O7

Net Charge

Average Mass

370.357

Monoisotopic Mass

370.10525

InChI

InChI=1S/C20H18O7/c21-7-13-14(19(22)11-1-3-15-17(5-11)26-9-24-15)8-23-20(13)12-2-4-16-18(6-12)27-10-25-16/h1-6,13-14,20-21H,7-10H2/t13-,14+,20+/m0/s1

InChIKey

RZIWMSJDPYUACC-LRDNONRASA-N

SMILES

O=C(C1=CC=2OCOC2C=C1)[C@H]3[C@@H]([C@@H](C4=CC=5OCOC5C=C4)OC3)CO

Metabolite of Species	Details
Streptomyces (NCBI:txid1883)	See: PubMed

ChEBI Ontology
Outgoing	Sesaminone (CHEBI:204014) is a lignan (CHEBI:25036)

IUPAC Name

1,3-benzodioxol-5-yl-[(3S,4R,5S)-5-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)oxolan-3-yl]methanone