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CHEBI:187289 - Isoorientin 3',6''-di-O-glucoside

ChEBI IDCHEBI:187289
ChEBI NameIsoorientin 3',6''-di-O-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H38O21
Net Charge0
Average Mass758.635
Monoisotopic Mass758.19056
SMILES[H][C@@]1(c2c(O)cc3oc(-c4ccc(O)c(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)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/C32H38O21/c33-6-15-19(38)22(41)26(45)30(50-15)49-13-3-8(1-2-9(13)35)12-4-10(36)17-14(48-12)5-11(37)18(21(17)40)29-25(44)24(43)28(47)32(52-29)53-31-27(46)23(42)20(39)16(7-34)51-31/h1-5,15-16,19-20,22-35,37-47H,6-7H2/t15?,16?,19-,20-,22+,23+,24-,25?,26?,27?,28+,29+,30-,31+,32?/m1/s1
InChIKeyWEDAMVQQOSVTFX-WNYKRWPQSA-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 3',6''-di-O-glucoside (CHEBI:187289) is a flavonoids (CHEBI:72544)
Isoorientin 3',6''-di-O-glucoside (CHEBI:187289) is a glycoside (CHEBI:24400)
IUPAC Name 
5,7-dihydroxy-2-[4-hydroxy-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-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
LMPK12110545LIPID MAPS
24843583ChemSpider