EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:184915 - Jaceidin 5-glucoside

ChEBI IDCHEBI:184915
ChEBI NameJaceidin 5-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26O13
Net Charge0
Average Mass522.459
Monoisotopic Mass522.13734
SMILESCOc1cc(-c2oc3cc(O)c(OC)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3c(=O)c2OC)ccc1O
InChIInChI=1S/C24H26O13/c1-32-12-6-9(4-5-10(12)26)20-23(34-3)17(29)15-13(35-20)7-11(27)21(33-2)22(15)37-24-19(31)18(30)16(28)14(8-25)36-24/h4-7,14,16,18-19,24-28,30-31H,8H2,1-3H3/t14?,16-,18+,19?,24+/m1/s1
InChIKeyWFTGLRVDKFXNSB-QPEMLQKNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Jaceidin 5-glucoside (CHEBI:184915) is a flavonoids (CHEBI:72544)
Jaceidin 5-glucoside (CHEBI:184915) is a glycoside (CHEBI:24400)
IUPAC Name 
7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
24845525ChemSpider
LMPK12112928LIPID MAPS