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CHEBI:186559 - Peruvianoside II

ChEBI IDCHEBI:186559
ChEBI NamePeruvianoside II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26O12
Net Charge0
Average Mass494.449
Monoisotopic Mass494.14243
SMILESCOc1cc([C@@H]2CC(=O)c3c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)cc3O2)cc(OC)c1O
InChIInChI=1S/C23H26O12/c1-31-15-3-9(4-16(32-2)19(15)27)12-7-11(26)18-13(33-12)5-10(25)6-14(18)34-23-22(30)21(29)20(28)17(8-24)35-23/h3-6,12,17,20-25,27-30H,7-8H2,1-2H3/t12-,17?,20+,21-,22?,23+/m0/s1
InChIKeyJUTUYETVYPXSNI-QECGOLFJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Peruvianoside II (CHEBI:186559) is a flavonoids (CHEBI:72544)
Peruvianoside II (CHEBI:186559) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Manual XrefsDatabases
LMPK12140457LIPID MAPS
24846494ChemSpider