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CHEBI:184643 - Hemsleyanoside

ChEBI IDCHEBI:184643
ChEBI NameHemsleyanoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28O13
Net Charge0
Average Mass548.497
Monoisotopic Mass548.15299
SMILES[H][C@@]1(c2c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)OC[C@H](O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O)[C@H](O)C1O
InChIInChI=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
InChIKeyGCKNVFKQNYXTNU-TWDQHKLASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
LMPK12110266LIPID MAPS
24843320ChemSpider