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},
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"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "A monounsaturated fatty aldehyde that is hex-2-enal substituted by an ethyl group at position 2.",
"@language": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"@type": [
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]
}