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CHEBI:69964 - Metasequirin D

Default Structure
ChEBI IDCHEBI:69964
ChEBI NameMetasequirin D
Stars
DefinitionA natural product found in Metasequoia glyptostroboides.
Last Modified22 September 2014
DownloadsMolfile
FormulaC19H22O6
Net Charge0
Average Mass346.379
Monoisotopic Mass346.14164
SMILESCOc1cc(/C=C/[C@@H](c2ccc(O)c(OC)c2)[C@H](O)CO)ccc1O
InChIInChI=1S/C19H22O6/c1-24-18-9-12(4-7-15(18)21)3-6-14(17(23)11-20)13-5-8-16(22)19(10-13)25-2/h3-10,14,17,20-23H,11H2,1-2H3/b6-3+/t14-,17+/m0/s1
InChIKeyDCEHETRPHUXAHR-ORCRKBFJSA-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 Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Metasequirin D (CHEBI:69964) has role metabolite (CHEBI:25212)
Metasequirin D (CHEBI:69964) is a phenylpropanoid (CHEBI:26004)
Synonym  Source
(E,2S,3S)-3,5-bis(4-hydroxy-3-methoxyphenyl)pent-4-ene-1,2-diolChEBI
Citations