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CHEBI:179863 - (2S)-5,7,3',4'-Tetrahydroxyflavanone 6-C-glucoside

Default Structure
ChEBI IDCHEBI:179863
ChEBI Name(2S)-5,7,3',4'-Tetrahydroxyflavanone 6-C-glucoside
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SubmitterMetaboLights
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FormulaC21H22O11
Net Charge0
Average Mass450.396
Monoisotopic Mass450.11621
SMILES[H][C@@]1(c2c(O)cc3c(c2O)C(=O)C[C@@H](c2ccc(O)c(O)c2)O3)OC(CO)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C21H22O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-3,5,12,14,17,19-24,26-30H,4,6H2/t12-,14?,17+,19-,20?,21-/m0/s1
InChIKeyFNJRUYGFVNGXTL-WBMBKONRSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-5,7,3',4'-Tetrahydroxyflavanone 6-C-glucoside (CHEBI:179863) is a C-glycosyl compound (CHEBI:20857)
(2S)-5,7,3',4'-Tetrahydroxyflavanone 6-C-glucoside (CHEBI:179863) is a flavonoids (CHEBI:72544)
IUPAC Name 
(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one
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