EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:184978 - Hispidulin 7-methylglucuronide

ChEBI IDCHEBI:184978
ChEBI NameHispidulin 7-methylglucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22O12
Net Charge0
Average Mass490.417
Monoisotopic Mass490.11113
SMILESCOC(=O)C1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2OC)C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C23H22O12/c1-31-20-14(34-23-19(29)17(27)18(28)21(35-23)22(30)32-2)8-13-15(16(20)26)11(25)7-12(33-13)9-3-5-10(24)6-4-9/h3-8,17-19,21,23-24,26-29H,1-2H3/t17-,18-,19?,21?,23+/m0/s1
InChIKeyFAWDUWSALXIKNE-IQXDGGOBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Hispidulin 7-methylglucuronide (CHEBI:184978) is a flavonoids (CHEBI:72544)
Hispidulin 7-methylglucuronide (CHEBI:184978) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
methyl (3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylate
Manual XrefsDatabases
24844086ChemSpider
LMPK12111151LIPID MAPS