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CHEBI:168115 - Floribundoside

ChEBI IDCHEBI:168115
ChEBI NameFloribundoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O10
Net Charge0
Average Mass434.397
Monoisotopic Mass434.12130
SMILESO=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c21
InChIInChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)30-15-6-11(24)5-14-17(15)12(25)7-13(29-14)9-1-3-10(23)4-2-9/h1-6,13,16,18-24,26-28H,7-8H2/t13?,16-,18-,19-,20-,21-/m1/s1
InChIKeyMFQIWHVVFBCURA-SLOQVBGBSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Floribundoside (CHEBI:168115) is a flavonoids (CHEBI:72544)
Floribundoside (CHEBI:168115) is a glycoside (CHEBI:24400)
IUPAC Name 
7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Manual XrefsDatabases
4478948ChemSpider
LMPK12140238LIPID MAPS