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CHEBI:168806 - 1-Hexylglycerol

ChEBI IDCHEBI:168806
ChEBI Name1-Hexylglycerol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H20O3
Net Charge0
Average Mass176.256
Monoisotopic Mass176.14124
SMILESCCCCCCOC[C@@H](O)CO
InChIInChI=1S/C9H20O3/c1-2-3-4-5-6-12-8-9(11)7-10/h9-11H,2-8H2,1H3/t9-/m0/s1
InChIKeyMQVMITUCTLYRNV-VIFPVBQESA-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)
1-Hexylglycerol (CHEBI:168806) is a alkylglycerol (CHEBI:52575)
IUPAC Name 
(2S)-3-hexoxypropane-1,2-diol
Manual XrefsDatabases
8488809ChemSpider
LMGL01020028LIPID MAPS