sequirin C (CHEBI:53644)

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ChEBI Name	sequirin C

ChEBI ID	CHEBI:53644

Definition	A norlignan that is a derivative of agatharesinol in which the aromatic ring B has an additional hydroxy substituent ortho to the one present in the parent compound.

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

Supplier Information

Download	Molfile XML SDF

Formula

C17H18O5

Net Charge

Average Mass

302.32180

Monoisotopic Mass

302.11542

InChI

InChI=1S/C17H18O5/c18-10-17(22)14(12-4-8-15(20)16(21)9-12)7-3-11-1-5-13(19)6-2-11/h1-9,14,17-22H,10H2/b7-3+/t14-,17+/m0/s1

InChIKey

UWWISKPOVFKUES-SITIDLGXSA-N

SMILES

OC[C@@H](O)[C@@H](\C=C\c1ccc(O)cc1)c1ccc(O)c(O)c1

Metabolite of Species	Details
Metasequoia glyptostroboides (NCBI:txid3371)	Found in leaf (BTO:0000713). 95% ethanolic extract of air-dried, powdered stems and leaves See: PubMed
Metasequoia glyptostroboides (NCBI:txid3371)	Found in stem (BTO:0001300). 95% ethanolic extract of air-dried, powdered stems and leaves See: PubMed

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. (via norlignan )

ChEBI Ontology
Outgoing	sequirin C (CHEBI:53644) has functional parent agatharesinol (CHEBI:53627) sequirin C (CHEBI:53644) has role metabolite (CHEBI:25212) sequirin C (CHEBI:53644) is a norlignan (CHEBI:53629)

IUPAC Name

4-[(1S,2E)-1-[(1S)-1,2-dihydroxyethyl]-3-(4-hydroxyphenyl)prop-2-en-1-yl]benzene-1,2-diol

Synonym	Source
sequirin-C	ChEBI

Registry Number	Type	Source
7354895	Reaxys Registry Number	Reaxys

Last Modified

06 August 2013