CHEBI:89610 - Neomenthol-glucuronide

ChEBI IDCHEBI:89610
ChEBI NameNeomenthol-glucuronide
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DownloadsMolfile
FormulaC16H28O7
Net Charge0
Average Mass332.393
Monoisotopic Mass332.18350
SMILESCC1CCC(C(C)C)C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C1
InChIInChI=1S/C16H28O7/c1-7(2)9-5-4-8(3)6-10(9)22-16-13(19)11(17)12(18)14(23-16)15(20)21/h7-14,16-19H,4-6H2,1-3H3,(H,20,21)/t8?,9?,10?,11-,12-,13+,14-,16+/m0/s1
InChIKeyCLJGMBYGTHRUNF-SHLVDPONSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (22827565)
ChEBI Ontology
Outgoing Relation(s)
Neomenthol-glucuronide (CHEBI:89610) is a terpene glycoside (CHEBI:61777)
Synonyms  Source
2-Isopropyl-5-methylcyclohexyl beta-D-glucopyranosiduronic acidHMDB
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(5-methyl-2-propan-2-ylcyclohexyl)oxyoxane-2-carboxylic acidHMDB
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}oxane-2-carboxylic acidHMDB
Manual XrefsDatabases
HMDB0060012HMDB
Citations