CHEBI:168839 - 2-Furanylmethyl butanoate

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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 2-Furanylmethyl butanoate
ChEBI ID CHEBI:168839
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C9H12O3
Net Charge 0
Average Mass 168.192
Monoisotopic Mass 168.07864
InChI InChI=1S/C9H12O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h3,5-6H,2,4,7H2,1H3
InChIKey IXISGRHWGVGCAK-UHFFFAOYSA-N
SMILES O(CC=1OC=CC1)C(=O)CCC
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 2-Furanylmethyl butanoate (CHEBI:168839) is a fatty acid ester (CHEBI:35748)
IUPAC Name
uran-2-ylmethyl butanoate
Manual Xrefs Databases
55114 ChemSpider
HMDB0037729 HMDB
LMFA07010714 LIPID MAPS
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Registry Number Type Source
623-21-2 CAS Registry Number ChemIDplus