CHEBI:196623 - 5-Hydroxyaloin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 5-Hydroxyaloin A
ChEBI ID CHEBI:196623
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H22O10
Net Charge 0
Average Mass 434.397
Monoisotopic Mass 434.12130
InChI InChI=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
InChIKey LJCDCYLYUCZUGL-UQBALUMJSA-N
SMILES O1[C@@]([C@@]2(C3=C(C(=O)C=4C2=C(O)C=CC4O)C(O)=CC(=C3)CO)[H])([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)[H]
ChEBI Ontology
Outgoing 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
Manual Xref Database
10145738 ChemSpider
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