EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187723 - Isoorientin 6''-O-alpha-L-arabinoside

ChEBI IDCHEBI:187723
ChEBI NameIsoorientin 6''-O-alpha-L-arabinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26O15
Net Charge0
Average Mass566.468
Monoisotopic Mass566.12717
SMILES[H][C@@]1(c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)OC(O[C@@H]2OC[C@H](O)[C@H](O)C2O)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C25H26O15/c26-8-2-1-7(3-9(8)27)13-4-10(28)15-14(38-13)5-11(29)16(18(15)32)23-20(34)19(33)22(36)25(39-23)40-24-21(35)17(31)12(30)6-37-24/h1-5,12,17,19-27,29-36H,6H2/t12-,17-,19+,20?,21?,22-,23-,24-,25?/m0/s1
InChIKeyVDMSJRLSQBAWSJ-RCJHPHKPSA-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-alpha-L-arabinoside (CHEBI:187723) is a C-glycosyl compound (CHEBI:20857)
Isoorientin 6''-O-alpha-L-arabinoside (CHEBI:187723) 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-trihydroxyoxan-2-yl]oxyoxan-2-yl]chromen-4-one
Manual XrefsDatabases
24843521ChemSpider
LMPK12110483LIPID MAPS