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CHEBI:169361 - 2-Hexylglycerol

ChEBI IDCHEBI:169361
ChEBI Name2-Hexylglycerol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H20O3
Net Charge0
Average Mass176.256
Monoisotopic Mass176.14124
SMILESCCCCCCOC(CO)CO
InChIInChI=1S/C9H20O3/c1-2-3-4-5-6-12-9(7-10)8-11/h9-11H,2-8H2,1H3
InChIKeyPXWAQUODOTWYMT-UHFFFAOYSA-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)
2-Hexylglycerol (CHEBI:169361) is a alkylglycerol (CHEBI:52575)
IUPAC Name 
2-hexoxypropane-1,3-diol
Manual XrefsDatabases
LMGL01020029LIPID MAPS
74486ChemSpider