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CHEBI:187024 - Ikarisoside D

ChEBI IDCHEBI:187024
ChEBI NameIkarisoside D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H30O11
Net Charge0
Average Mass542.537
Monoisotopic Mass542.17881
SMILESCC(=O)O[C@H]1C(C)O[C@@H](Oc2c(-c3ccc(O)cc3)oc3c(CC=C(C)C)c(O)cc(O)c3c2=O)[C@@H](O)C1O
InChIInChI=1S/C28H30O11/c1-12(2)5-10-17-18(31)11-19(32)20-21(33)27(25(38-26(17)20)15-6-8-16(30)9-7-15)39-28-23(35)22(34)24(13(3)36-28)37-14(4)29/h5-9,11,13,22-24,28,30-32,34-35H,10H2,1-4H3/t13?,22?,23-,24-,28-/m0/s1
InChIKeyZVEFBUCBFFPLIG-ZBFTYPEESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Ikarisoside D (CHEBI:187024) is a flavonoids (CHEBI:72544)
Ikarisoside D (CHEBI:187024) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3R,5S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate
Manual XrefsDatabases
LMPK12111724LIPID MAPS
24844468ChemSpider