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CHEBI:196623 - 5-Hydroxyaloin A

ChEBI IDCHEBI:196623
ChEBI Name5-Hydroxyaloin A
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SubmitterMetaboLights
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FormulaC21H22O10
Net Charge0
Average Mass434.397
Monoisotopic Mass434.12130
SMILES[H][C@@]1([C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2cc(CO)cc(O)c2C(=O)c2c(O)ccc(O)c21
InChIInChI=1S/C21H22O10/c22-5-7-3-8-13(11(26)4-7)18(28)16-10(25)2-1-9(24)15(16)14(8)21-20(30)19(29)17(27)12(6-23)31-21/h1-4,12,14,17,19-27,29-30H,5-6H2/t12-,14-,17-,19+,20-,21+/m1/s1
InChIKeyLJCDCYLYUCZUGL-UQBALUMJSA-N
ChEBI Ontology
Outgoing Relation(s)
5-Hydroxyaloin A (CHEBI:196623) is a anthracenes (CHEBI:46955)
IUPAC Name 
(10R)-1,5,8-trihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
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