CHEBI:180441 - (2-Hydroxymethyl-cyclohexyl)-acetic acid lactone

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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-Hydroxymethyl-cyclohexyl)-acetic acid lactone
ChEBI ID CHEBI:180441
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H14O2
Net Charge 0
Average Mass 154.209
Monoisotopic Mass 154.09938
InChI InChI=1S/C9H14O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h7-8H,1-6H2
InChIKey AYMWCZFEDLLHMI-UHFFFAOYSA-N
SMILES O1CC2C(CCCC2)CC1=O
ChEBI Ontology
Outgoing (2-Hydroxymethyl-cyclohexyl)-acetic acid lactone (CHEBI:180441) is a benzopyran (CHEBI:22727)
IUPAC Name
1,4,4a,5,6,7,8,8a-octahydroisochromen-3-one
Manual Xrefs Databases
88908 ChemSpider
LMFA07040018 LIPID MAPS
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Registry Number Type Source
21962-62-9 CAS Registry Number ChemIDplus