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CHEBI:191995 - Gaylussacin

ChEBI IDCHEBI:191995
ChEBI NameGaylussacin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O9
Net Charge0
Average Mass418.398
Monoisotopic Mass418.12638
SMILESO=C(O)c1c(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1/C=C/c1ccccc1
InChIInChI=1S/C21H22O9/c22-10-15-17(24)18(25)19(26)21(30-15)29-13-8-12(16(20(27)28)14(23)9-13)7-6-11-4-2-1-3-5-11/h1-9,15,17-19,21-26H,10H2,(H,27,28)/b7-6+/t15-,17-,18+,19-,21-/m1/s1
InChIKeyUPCRMPLOWXXPFK-BNVRZUOOSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
Gaylussacin (CHEBI:191995) is a glycoside (CHEBI:24400)
Gaylussacin (CHEBI:191995) is a stilbenoid (CHEBI:26776)
IUPAC Name 
2-hydroxy-6-[(E)-2-phenylethenyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
Manual XrefsDatabases
4947716ChemSpider
Registry NumbersSources
CAS:38232-08-5ChemIDplus