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CHEBI:191119 - Hamamelitannin

ChEBI IDCHEBI:191119
ChEBI NameHamamelitannin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O14
Net Charge0
Average Mass484.366
Monoisotopic Mass484.08531
SMILESO=C(OC[C@@H]1OC(O)[C@](O)(COC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C20H20O14/c21-9-1-7(2-10(22)14(9)25)17(28)32-5-13-16(27)20(31,19(30)34-13)6-33-18(29)8-3-11(23)15(26)12(24)4-8/h1-4,13,16,19,21-27,30-31H,5-6H2/t13-,16-,19?,20-/m0/s1
InChIKeyFEPAFOYQTIEEIS-WZKFEGCESA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
Hamamelitannin (CHEBI:191119) is a gallate ester (CHEBI:37576)
IUPAC Name 
[(2S,3S,4S)-3,4,5-trihydroxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
21468878ChemSpider