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CHEBI:188284 - Isoferuloyl C1-glucuronide

ChEBI IDCHEBI:188284
ChEBI NameIsoferuloyl C1-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O10
Net Charge0
Average Mass370.310
Monoisotopic Mass370.09000
SMILESCOc1ccc(/C=C/C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1O
InChIInChI=1S/C16H18O10/c1-24-9-4-2-7(6-8(9)17)3-5-10(18)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16-17,19-21H,1H3,(H,22,23)/b5-3+/t11-,12-,13+,14-,16+/m0/s1
InChIKeyRBJXXYNRHTWXDN-MBAOVNHDSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Isoferuloyl C1-glucuronide (CHEBI:188284) has functional parent hydroxycinnamic acid (CHEBI:24689)
Isoferuloyl C1-glucuronide (CHEBI:188284) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0041749HMDB
30777635ChemSpider