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CHEBI:168158 - 1-O-alpha-D-glucopyranosyl-1,2-eicosandiol

ChEBI IDCHEBI:168158
ChEBI Name1-O-alpha-D-glucopyranosyl-1,2-eicosandiol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H52O7
Net Charge0
Average Mass476.695
Monoisotopic Mass476.37130
SMILESCCCCCCCCCCCCCCCCCCC(O)CO[C@H]1OC(CO)[C@@H](O)C(O)[C@@H]1O
InChIInChI=1S/C26H52O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(28)20-32-26-25(31)24(30)23(29)22(19-27)33-26/h21-31H,2-20H2,1H3/t21?,22?,23-,24?,25+,26+/m1/s1
InChIKeyNNSQMUPTXPAGLB-RWAJGHALSA-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-O-alpha-D-glucopyranosyl-1,2-eicosandiol (CHEBI:168158) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2S,3S,5S)-2-(2-hydroxyicosoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
LMFA13010005LIPID MAPS
24822114ChemSpider