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CHEBI:53644 - sequirin C

ChEBI IDCHEBI:53644
ChEBI Namesequirin C
Stars
DefinitionA 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.
Last Modified6 August 2013
Submitterzjosephs
DownloadsMolfile
FormulaC17H18O5
Net Charge0
Average Mass302.326
Monoisotopic Mass302.11542
SMILESOC[C@@H](O)[C@@H](/C=C/c1ccc(O)cc1)c1ccc(O)c(O)c1
InChIInChI=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
InChIKeyUWWISKPOVFKUES-SITIDLGXSA-N
Species of MetaboliteComponentSourceComments
Metasequoia glyptostroboides (ncbitaxon:3371)
stem (BTO:0001300) PubMed (21226514) 95% ethanolic extract of air-dried, powdered stems and leaves
leaf (BTO:0000713) PubMed (21226514) 95% ethanolic extract of air-dried, powdered stems and leaves
Roles Classification
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
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-CChEBI
Registry NumbersSources
Reaxys:7354895Reaxys
Citations