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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Methyl (3x,4E,10R)-3,10-dihydroxy-4,11-dodecadiene-6,8-diynoate 10-glucoside
ChEBI ID CHEBI:168239
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H24O9
Net Charge 0
Average Mass 396.392
Monoisotopic Mass 396.14203
InChI InChI=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+
InChIKey CDSGJPSZVQMWJQ-SOFGYWHQSA-N
SMILES O1C(C(O)C(O)C(O)C1OC(C=C)C#CC#C\C=C\C(O)CC(OC)=O)CO
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0040897 HMDB
View more database links