EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187745 - Luteolin 4'-methyl ether 7,3'-disulfate

Default Structure
ChEBI IDCHEBI:187745
ChEBI NameLuteolin 4'-methyl ether 7,3'-disulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H12O12S2
Net Charge0
Average Mass460.394
Monoisotopic Mass459.97702
SMILESCOc1ccc(-c2cc(=O)c3c(O)cc(OS(=O)(=O)O)cc3o2)cc1OS(=O)(=O)O
InChIInChI=1S/C16H12O12S2/c1-25-12-3-2-8(4-14(12)28-30(22,23)24)13-7-11(18)16-10(17)5-9(6-15(16)26-13)27-29(19,20)21/h2-7,17H,1H3,(H,19,20,21)(H,22,23,24)
InChIKeyCORCXFALGZLUGA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Luteolin 4'-methyl ether 7,3'-disulfate (CHEBI:187745) is a ether (CHEBI:25698)
Luteolin 4'-methyl ether 7,3'-disulfate (CHEBI:187745) is a flavonoids (CHEBI:72544)
IUPAC Name 
[5-hydroxy-2-(4-methoxy-3-sulooxyphenyl)-4-oxochromen-7-yl] hydrogen sulate
Manual XrefsDatabases
24843845ChemSpider
LMPK12110827LIPID MAPS