EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186210 - Isoorientin 7,3',4'-trimethyl ether

ChEBI IDCHEBI:186210
ChEBI NameIsoorientin 7,3',4'-trimethyl ether
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26O11
Net Charge0
Average Mass490.461
Monoisotopic Mass490.14751
SMILES[H][C@@]1(c2c(OC)cc3oc(-c4ccc(OC)c(OC)c4)cc(=O)c3c2O)OC(CO)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C24H26O11/c1-31-12-5-4-10(6-14(12)32-2)13-7-11(26)18-16(34-13)8-15(33-3)19(21(18)28)24-23(30)22(29)20(27)17(9-25)35-24/h4-8,17,20,22-25,27-30H,9H2,1-3H3/t17?,20-,22+,23?,24+/m1/s1
InChIKeyBEOVASOPYVJANG-UVSQBFDBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Isoorientin 7,3',4'-trimethyl ether (CHEBI:186210) is a C-glycosyl compound (CHEBI:20857)
Isoorientin 7,3',4'-trimethyl ether (CHEBI:186210) is a flavonoids (CHEBI:72544)
IUPAC Name 
2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Manual XrefsDatabases
24844010ChemSpider
LMPK12111058LIPID MAPS