CHEBI:186367 - 5-O-Methyleriodictyol 7-glucosyl-(1->4)-galactoside

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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 5-O-Methyleriodictyol 7-glucosyl-(1->4)-galactoside
ChEBI ID CHEBI:186367
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H34O16
Net Charge 0
Average Mass 626.564
Monoisotopic Mass 626.18469
InChI InChI=1S/C28H34O16/c1-39-16-5-11(6-17-20(16)14(33)7-15(41-17)10-2-3-12(31)13(32)4-10)40-27-25(38)23(36)26(19(9-30)43-27)44-28-24(37)22(35)21(34)18(8-29)42-28/h2-6,15,18-19,21-32,34-38H,7-9H2,1H3
InChIKey CEJOKNKJINIMGF-UHFFFAOYSA-N
SMILES O(C1C(O)C(O)C(OC1CO)OC2=CC=3OC(CC(=O)C3C(OC)=C2)C4=CC(O)=C(O)C=C4)C5OC(C(O)C(O)C5O)CO
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 5-O-Methyleriodictyol 7-glucosyl-(1->4)-galactoside (CHEBI:186367) is a flavonoids (CHEBI:72544)
5-O-Methyleriodictyol 7-glucosyl-(1->4)-galactoside (CHEBI:186367) is a glycoside (CHEBI:24400)
IUPAC Name
7-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
Manual Xrefs Databases
24846558 ChemSpider
HMDB0040470 HMDB
LMPK12140560 LIPID MAPS
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