(+)-sesamin monocatechol (CHEBI:136542)

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ChEBI Name	(+)-sesamin monocatechol

ChEBI ID	CHEBI:136542

Definition	A catechol resulting from the hydrolysis of one of the two methylene acetal groups in (+)-sesamin. Found as a product of (+)-sesamin in rat liver homogenate and also produced from sesamin by an enzyme (SesA) found in Sinomonas species. no. 22 growing on sesamin.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Kristian Axelsen

Supplier Information

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Formula

C19H18O6

Net Charge

Average Mass

342.343

Monoisotopic Mass

342.11034

InChI

InChI=1S/C19H18O6/c20-14-3-1-10(5-15(14)21)18-12-7-23-19(13(12)8-22-18)11-2-4-16-17(6-11)25-9-24-16/h1-6,12-13,18-21H,7-9H2/t12-,13-,18+,19+/m0/s1

InChIKey

CGEORJKFOZSMEZ-MBZVMHRFSA-N

SMILES

C1=C2OCOC2=CC(=C1)[C@]3(OC[C@]4([C@@]3(CO[C@@]4(C5=CC=C(C(=C5)O)O)[H])[H])[H])[H]

ChEBI Ontology
Outgoing	(+)-sesamin monocatechol (CHEBI:136542) has functional parent (+)-sesamin (CHEBI:66470) (+)-sesamin monocatechol (CHEBI:136542) is a benzodioxoles (CHEBI:38298) (+)-sesamin monocatechol (CHEBI:136542) is a catechols (CHEBI:33566) (+)-sesamin monocatechol (CHEBI:136542) is a furofuran (CHEBI:47790) (+)-sesamin monocatechol (CHEBI:136542) is a lignan (CHEBI:25036)

Incoming	(+)-sesamin dicatechol (CHEBI:136543) has functional parent (+)-sesamin monocatechol (CHEBI:136542)

IUPAC Name

4-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]benzene-1,2-diol

Synonyms	Sources
(+)-sesamin monocatechol	UniProt
(1R,2S,5R,6S)-6-(3,4-dihydroxyphenyl)-2-(3,4-methylenedioxyphenyl)-3,7-dioxabicyclo[3,3,0]octane	ChEBI
SC-1	ChEBI

Registry Number	Type	Source
7388976	Reaxys Registry Number	Reaxys

Last Modified

26 January 2023