CHEBI:176869 - aloenin

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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 aloenin
ChEBI ID CHEBI:176869
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H22O10
Net Charge 0
Average Mass 410.375
Monoisotopic Mass 410.12130
InChI InChI=1S/C19H22O10/c1-8-3-9(21)4-11(15(8)12-5-10(26-2)6-14(22)27-12)28-19-18(25)17(24)16(23)13(7-20)29-19/h3-6,13,16-21,23-25H,7H2,1-2H3/t13-,16-,17+,18-,19-/m1/s1
InChIKey KFJNVVJUICKJEQ-LQDZTQBFSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(C(=CC(O)=C2)C)C=3OC(=O)C=C(OC)C3)CO
Metabolite of Species Details
Trypanosoma congolense (NCBI:txid5692) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing aloenin (CHEBI:176869) is a glycoside (CHEBI:24400)
IUPAC Name
6-[4-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-methoxypyran-2-one
Manual Xref Database
142526 ChemSpider
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Registry Number Type Source
38412-46-3 CAS Registry Number ChemIDplus