CHEBI:196624 - 7-Hydroxyaloin B

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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 7-Hydroxyaloin B
ChEBI ID CHEBI:196624
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/c22-5-7-3-9-13(21-20(30)19(29)17(27)12(6-23)31-21)8-1-2-10(24)16(26)15(8)18(28)14(9)11(25)4-7/h1-4,12-13,17,19-27,29-30H,5-6H2/t12-,13-,17-,19+,20-,21+/m1/s1
InChIKey HKKOALUTOMGGMT-UUBBYFPSSA-N
SMILES O1[C@@]([C@]2(C3=C(C(=O)C4=C2C=CC(O)=C4O)C(O)=CC(=C3)CO)[H])([C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)[H]
ChEBI Ontology
Outgoing 7-Hydroxyaloin B (CHEBI:196624) is a anthracenes (CHEBI:46955)
IUPAC Name
(10R)-1,2,8-trihydroxy-6-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
Manual Xref Database
139099 ChemSpider
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