CHEBI:184643 - Hemsleyanoside

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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 Hemsleyanoside
ChEBI ID CHEBI:184643
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C26H28O13
Net Charge 0
Average Mass 548.497
Monoisotopic Mass 548.15299
InChI InChI=1S/C26H28O13/c1-9-19(30)22(33)24(35)26(37-9)39-16-8-36-25(23(34)20(16)31)18-13(29)7-15-17(21(18)32)12(28)6-14(38-15)10-2-4-11(27)5-3-10/h2-7,9,16,19-20,22-27,29-35H,8H2,1H3/t9?,16-,19-,20-,22?,23?,24-,25-,26-/m0/s1
InChIKey GCKNVFKQNYXTNU-TWDQHKLASA-N
SMILES O([C@@H]1[C@H](O)C(O)[C@@](OC1)(C2=C(O)C3=C(OC(=CC3=O)C4=CC=C(O)C=C4)C=C2O)[H])[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Hemsleyanoside (CHEBI:184643) is a C-glycosyl compound (CHEBI:20857)
Hemsleyanoside (CHEBI:184643) is a flavonoids (CHEBI:72544)
IUPAC Name
6-[(2S,4R,5S)-3,4-dihydroxy-5-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Manual Xrefs Databases
24843320 ChemSpider
LMPK12110266 LIPID MAPS
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