CHEBI:168905 - Tetrahydrofurfuryl butyrate

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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 Tetrahydrofurfuryl butyrate
ChEBI ID CHEBI:168905
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C9H16O3
Net Charge 0
Average Mass 172.224
Monoisotopic Mass 172.10994
InChI InChI=1S/C9H16O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h8H,2-7H2,1H3
InChIKey DPZVDLFOAZNCBU-UHFFFAOYSA-N
SMILES O1C(CCC1)COC(=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 Tetrahydrofurfuryl butyrate (CHEBI:168905) is a fatty acid ester (CHEBI:35748)
IUPAC Name
oxolan-2-ylmethyl butanoate
Manual Xrefs Databases
479603 ChemSpider
HMDB0036188 HMDB
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Registry Number Type Source
2217-33-6 CAS Registry Number ChemIDplus