CHEBI:184710 - 5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone 2'-O-glucuronide

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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 5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone 2'-O-glucuronide
ChEBI ID CHEBI:184710
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H26O13
Net Charge 0
Average Mass 522.459
Monoisotopic Mass 522.13734
InChI InChI=1S/C24H26O13/c1-32-11-5-4-6-12(36-24-19(29)17(27)18(28)22(37-24)23(30)31)16(11)13-7-9(25)15-10(26)8-14(33-2)20(34-3)21(15)35-13/h4-6,8,13,17-19,22,24,26-29H,7H2,1-3H3,(H,30,31)/t13-,17-,18-,19?,22?,24+/m0/s1
InChIKey YFJFVYFDSGLIGK-CZLOYTQASA-N
SMILES O1[C@@H](OC=2C([C@]3(OC4=C(C(=O)C3)C(O)=CC(OC)=C4OC)[H])=C(OC)C=CC2)C(O)[C@@H](O)[C@H](O)C1C(O)=O
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 5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone 2'-O-glucuronide (CHEBI:184710) is a ether (CHEBI:25698)
5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone 2'-O-glucuronide (CHEBI:184710) is a flavonoids (CHEBI:72544)
IUPAC Name
(3S,4S,6S)-3,4,5-trihydroxy-6-[2-[(2S)-5-hydroxy-7,8-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl]-3-methoxyphenoxy]oxane-2-carboxylic acid
Manual Xrefs Databases
24846609 ChemSpider
LMPK12140641 LIPID MAPS
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