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CHEBI:187273 - Isoorientin 6''-O-glucoside

ChEBI IDCHEBI:187273
ChEBI NameIsoorientin 6''-O-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28O16
Net Charge0
Average Mass596.494
Monoisotopic Mass596.13773
SMILES[H][C@@]1(c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)OC(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C26H28O16/c27-6-14-17(32)19(34)22(37)25(40-14)42-26-23(38)20(35)21(36)24(41-26)16-11(31)5-13-15(18(16)33)10(30)4-12(39-13)7-1-2-8(28)9(29)3-7/h1-5,14,17,19-29,31-38H,6H2/t14?,17-,19+,20-,21?,22?,23+,24+,25+,26?/m1/s1
InChIKeyPKNXIIKRAPQZNT-ATVSXTNHSA-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 6''-O-glucoside (CHEBI:187273) is a C-glycosyl compound (CHEBI:20857)
Isoorientin 6''-O-glucoside (CHEBI:187273) is a flavonoids (CHEBI:72544)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]chromen-4-one
Manual XrefsDatabases
24843536ChemSpider
LMPK12110498LIPID MAPS