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CHEBI:168560 - Propofol glucuronide

ChEBI IDCHEBI:168560
ChEBI NamePropofol glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26O7
Net Charge0
Average Mass354.399
Monoisotopic Mass354.16785
SMILESCC(C)c1cccc(C(C)C)c1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C18H26O7/c1-8(2)10-6-5-7-11(9(3)4)15(10)24-18-14(21)12(19)13(20)16(25-18)17(22)23/h5-9,12-14,16,18-21H,1-4H3,(H,22,23)/t12-,13-,14+,16-,18+/m0/s1
InChIKeyJZSJIASBMOIIKI-RUKPJNHUSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Propofol glucuronide (CHEBI:168560) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[2,6-di(propan-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
26324521ChemSpider
HMDB0060933HMDB
Registry NumbersSources
CAS:114991-26-3ChemIDplus