CHEBI:229867 - anadanthoside

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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 anadanthoside
ChEBI ID CHEBI:229867
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H22O9
Net Charge 0
Average Mass 406.387
Monoisotopic Mass 406.12638
InChI InChI=1S/C20H22O9/c21-11-3-1-9-6-16(29-20-18(26)17(25)14(24)8-27-20)19(28-15(9)7-11)10-2-4-12(22)13(23)5-10/h1-5,7,14,16-26H,6,8H2/t14?,16-,17+,18-,19+,20-/m0/s1
InChIKey AAXSQJZTSPDAGW-DGLFJVASSA-N
SMILES O([C@@H]1[C@H](OC2=C(C1)C=CC(O)=C2)C3=CC(O)=C(O)C=C3)[C@@H]4OCC(O)[C@@H](O)[C@@H]4O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing anadanthoside (CHEBI:229867) is a flavonoids (CHEBI:72544)
anadanthoside (CHEBI:229867) is a glycoside (CHEBI:24400)
IUPAC Name
(2S,3S,4R)-2-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]oxane-3,4,5-triol
Manual Xrefs Databases
24842494 ChemSpider
LMPK12020009 LIPID MAPS
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