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CHEBI:168982 - Mangalkanyl glucoside

ChEBI IDCHEBI:168982
ChEBI NameMangalkanyl glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H38O6
Net Charge0
Average Mass386.529
Monoisotopic Mass386.26684
SMILESCCCCCCCCCC1CCC=CC1OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C21H38O6/c1-2-3-4-5-6-7-8-11-15-12-9-10-13-16(15)26-21-20(25)19(24)18(23)17(14-22)27-21/h10,13,15-25H,2-9,11-12,14H2,1H3
InChIKeyUMZTUZCMBMNJSZ-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)
Mangalkanyl glucoside (CHEBI:168982) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(hydroxymethyl)-6-(6-nonylcyclohex-2-en-1-yl)oxyoxane-3,4,5-triol
Manual XrefsDatabases
HMDB0036015HMDB