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CHEBI:188110 - Chrysoeriol 7,4'-diglucuronide

ChEBI IDCHEBI:188110
ChEBI NameChrysoeriol 7,4'-diglucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H28O18
Net Charge0
Average Mass652.514
Monoisotopic Mass652.12756
SMILESCOc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4OC(C(=O)O)[C@@H](O)[C@H](O)C4O)cc3o2)ccc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)C(O)C1O
InChIInChI=1S/C28H28O18/c1-41-14-4-8(2-3-12(14)44-28-22(36)18(32)20(34)24(46-28)26(39)40)13-7-11(30)16-10(29)5-9(6-15(16)43-13)42-27-21(35)17(31)19(33)23(45-27)25(37)38/h2-7,17-24,27-29,31-36H,1H3,(H,37,38)(H,39,40)/t17-,18?,19-,20-,21?,22?,23?,24-,27+,28+/m0/s1
InChIKeyXGVYZZQNJZYTNO-KKOUVIJUSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Chrysoeriol 7,4'-diglucuronide (CHEBI:188110) is a flavonoids (CHEBI:72544)
Chrysoeriol 7,4'-diglucuronide (CHEBI:188110) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(2S,3S,6S)-6-[4-[7-[(2S,4S,5S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
LMPK12110790LIPID MAPS
24843813ChemSpider