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CHEBI:188432 - alpha-CEHC glucuronide

ChEBI IDCHEBI:188432
ChEBI Namealpha-CEHC glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O10
Net Charge0
Average Mass454.472
Monoisotopic Mass454.18390
SMILESCc1c(C)c2c(c(C)c1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)CC[C@@](C)(CCC(=O)O)O2
InChIInChI=1S/C22H30O10/c1-9-10(2)18-12(5-7-22(4,32-18)8-6-13(23)24)11(3)17(9)30-21-16(27)14(25)15(26)19(31-21)20(28)29/h14-16,19,21,25-27H,5-8H2,1-4H3,(H,23,24)(H,28,29)/t14-,15-,16+,19-,21+,22-/m0/s1
InChIKeyMWDYOFPRWKTECC-XOIOWARXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood serum (BTO:0000133) MetaboLights (MTBLS3886)
ChEBI Ontology
Outgoing Relation(s)
alpha-CEHC glucuronide (CHEBI:188432) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[[(2S)-2-(2-carboxyethyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
103884210ChemSpider
HMDB0062445HMDB