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CHEBI:169473 - Urolithin A 3,8-O-diglucuronide

ChEBI IDCHEBI:169473
ChEBI NameUrolithin A 3,8-O-diglucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H24O16
Net Charge0
Average Mass580.451
Monoisotopic Mass580.10643
SMILESO=C(O)[C@H]1O[C@@H](Oc2ccc3c(c2)oc(=O)c2cc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)ccc23)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C25H24O16/c26-13-15(28)19(21(32)33)40-24(17(13)30)37-7-1-3-9-10-4-2-8(6-12(10)39-23(36)11(9)5-7)38-25-18(31)14(27)16(29)20(41-25)22(34)35/h1-6,13-20,24-31H,(H,32,33)(H,34,35)/t13-,14-,15-,16-,17+,18+,19-,20-,24+,25+/m0/s1
InChIKeySXMJSEFKPOZNAT-ILJCXFEASA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Urolithin A 3,8-O-diglucuronide (CHEBI:169473) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[3-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-6-oxobenzo[c]chromen-8-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
30777653ChemSpider
HMDB0041786HMDB