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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Isoorientin 6''-O-glucoside
ChEBI ID CHEBI:187273
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C26H28O16
Net Charge 0
Average Mass 596.494
Monoisotopic Mass 596.13773
InChI InChI=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
InChIKey PKNXIIKRAPQZNT-ATVSXTNHSA-N
SMILES O1C(O[C@@H]2OC([C@@H](O)[C@H](O)C2O)CO)[C@@H](O)[C@H](O)C(O)[C@@]1(C3=C(O)C4=C(OC(=CC4=O)C5=CC(O)=C(O)C=C5)C=C3O)[H]
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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
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24843536 ChemSpider
LMPK12110498 LIPID MAPS
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