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CHEBI:185178 - Jaceidin 4'-glucuronide

ChEBI IDCHEBI:185178
ChEBI NameJaceidin 4'-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H24O14
Net Charge0
Average Mass536.442
Monoisotopic Mass536.11661
SMILESCOc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)ccc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C24H24O14/c1-33-11-6-8(4-5-10(11)37-24-18(30)16(28)17(29)22(38-24)23(31)32)19-21(35-3)15(27)13-12(36-19)7-9(25)20(34-2)14(13)26/h4-7,16-18,22,24-26,28-30H,1-3H3,(H,31,32)/t16-,17-,18+,22-,24+/m0/s1
InChIKeyIXUDTZUOBGRRSD-NKUGBYDDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Jaceidin 4'-glucuronide (CHEBI:185178) is a flavonoids (CHEBI:72544)
Jaceidin 4'-glucuronide (CHEBI:185178) is a β-D-glucosiduronic acid (CHEBI:15341)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[4-(5,7-dihydroxy-3,6-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0031656HMDB
10306193ChemSpider