CHEBI:168311 - 4,6-Decadiyn-1-ol isovalerate

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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 4,6-Decadiyn-1-ol isovalerate
ChEBI ID CHEBI:168311
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H22O2
Net Charge 0
Average Mass 234.339
Monoisotopic Mass 234.16198
InChI InChI=1S/C15H22O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h14H,4-5,10-13H2,1-3H3
InChIKey NVMLEKVHEUTCIU-UHFFFAOYSA-N
SMILES O(C(=O)CC(C)C)CCCC#CC#CCCC
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 4,6-Decadiyn-1-ol isovalerate (CHEBI:168311) is a carboxylic ester (CHEBI:33308)
IUPAC Name
deca-4,6-diynyl 3-methylbutanoate
Manual Xrefs Databases
460832 ChemSpider
HMDB0038914 HMDB
LMFA07010766 LIPID MAPS
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