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CHEBI:187279 - PRIM-O-GLUCOSYLCIMIFUGIN

ChEBI IDCHEBI:187279
ChEBI NamePRIM-O-GLUCOSYLCIMIFUGIN
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O11
Net Charge0
Average Mass468.455
Monoisotopic Mass468.16316
SMILES[H][C@@]1(C(C)(C)O)Cc2c(cc3oc(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(=O)c3c2OC)O1
InChIInChI=1S/C22H28O11/c1-22(2,28)15-5-10-12(32-15)6-13-16(20(10)29-3)11(24)4-9(31-13)8-30-21-19(27)18(26)17(25)14(7-23)33-21/h4,6,14-15,17-19,21,23,25-28H,5,7-8H2,1-3H3/t14-,15+,17-,18+,19-,21-/m1/s1
InChIKeyXIUVHOSBSDYXRG-UVTAEQIVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PRIM-O-GLUCOSYLCIMIFUGIN (CHEBI:187279) is a organic heterotricyclic compound (CHEBI:26979)
PRIM-O-GLUCOSYLCIMIFUGIN (CHEBI:187279) is a oxacycle (CHEBI:38104)
IUPAC Name 
(2S)-2-(2-hydroxypropan-2-yl)-4-methoxy-7-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydrouro[3,2-g]chromen-5-one
Manual XrefsDatabases
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