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CHEBI:168239 - Methyl (3x,4E,10R)-3,10-dihydroxy-4,11-dodecadiene-6,8-diynoate 10-glucoside

ChEBI IDCHEBI:168239
ChEBI NameMethyl (3x,4E,10R)-3,10-dihydroxy-4,11-dodecadiene-6,8-diynoate 10-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O9
Net Charge0
Average Mass396.392
Monoisotopic Mass396.14203
SMILESC=CC(C#CC#C/C=C/C(O)CC(=O)OC)OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C19H24O9/c1-3-13(9-7-5-4-6-8-12(21)10-15(22)26-2)27-19-18(25)17(24)16(23)14(11-20)28-19/h3,6,8,12-14,16-21,23-25H,1,10-11H2,2H3/b8-6+
InChIKeyCDSGJPSZVQMWJQ-SOFGYWHQSA-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)
Methyl (3x,4E,10R)-3,10-dihydroxy-4,11-dodecadiene-6,8-diynoate 10-glucoside (CHEBI:168239) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
methyl (4E)-3-hydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydodeca-4,11-dien-6,8-diynoate
Manual XrefsDatabases
HMDB0040897HMDB