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CHEBI:76157 - cis-astringin

ChEBI IDCHEBI:76157
ChEBI Namecis-astringin
Stars
ASCII Namecis-astringin
DefinitionA stilbenoid that is cis-3,5,3',4'-tetrahydroxystilbene substituted at position 3 by a β-D-glucosyl residue.
Last Modified5 December 2013
Submittermwilliams
DownloadsMolfile
FormulaC20H22O9
Net Charge0
Average Mass406.387
Monoisotopic Mass406.12638
SMILESOC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C\c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1-/t16-,17-,18+,19-,20-/m1/s1
InChIKeyPERPNFLGJXUDDW-BUFXCDORSA-N
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)
cis-astringin (CHEBI:76157) has functional parent cis-3,5,3',4'-tetrahydroxystilbene (CHEBI:76156)
cis-astringin (CHEBI:76157) has role metabolite (CHEBI:25212)
cis-astringin (CHEBI:76157) is a monosaccharide derivative (CHEBI:63367)
cis-astringin (CHEBI:76157) is a polyphenol (CHEBI:26195)
cis-astringin (CHEBI:76157) is a stilbenoid (CHEBI:26776)
cis-astringin (CHEBI:76157) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
3-[(Z)-2-(3,4-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl β-D-glucopyranoside
Synonym  Source
(Z)-astringinChEBI
Registry NumbersSources
Reaxys:6577637Reaxys