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CHEBI:187800 - Ikarisoside B

ChEBI IDCHEBI:187800
ChEBI NameIkarisoside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H38O15
Net Charge0
Average Mass662.641
Monoisotopic Mass662.22107
SMILESCC(C)=CCc1c(O)cc(O)c2c(=O)c(OC3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc(O)cc3)oc12
InChIInChI=1S/C32H38O15/c1-12(2)4-9-16-17(35)10-18(36)20-23(39)29(27(45-28(16)20)14-5-7-15(34)8-6-14)46-32-30(25(41)21(37)13(3)43-32)47-31-26(42)24(40)22(38)19(11-33)44-31/h4-8,10,13,19,21-22,24-26,30-38,40-42H,9,11H2,1-3H3/t13-,19+,21-,22+,24-,25+,26+,30+,31-,32?/m0/s1
InChIKeyFWINXQRXURMYOG-DDRNJWBXSA-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 B (CHEBI:187800) is a flavonoids (CHEBI:72544)
Ikarisoside B (CHEBI:187800) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
Manual XrefsDatabases
4587708ChemSpider
Registry NumbersSources
CAS:113558-10-4ChemIDplus