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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:butyl butyryllactate
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Accession:CHEBI:168668 term browser browse the term
Definition:A diester resulting from the formal condensation of the carboxy group of 2-(butanoyloxy)propanoic acid with butan-1-ol.
Synonyms:related_synonym: (1-butoxy-1-oxopropan-2-yl) butanoate;   1-butoxy-1-oxopropan-2-yl butyrate;   2-butoxy-1-methyl-2-oxoethyl butanoate;   FEMA 2190;   Formula=C11H20O4;   InChI=1S/C11H20O4/c1-4-6-8-14-11(13)9(3)15-10(12)7-5-2/h9H,4-8H2,1-3H3;   InChIKey=NORZZKKLCYMBBF-UHFFFAOYSA-N;   O-butyryllactic acid butyl ester;   SMILES=CCCCOC(=O)C(C)OC(=O)CCC;   butanoic acid 2-butoxy-1-methyl-2-oxoethyl ester;   butyl 2-(butyryloxy)propionate;   butyl O-butyryllactate;   butyl butyrolactate;   butyl butyryl lactate;   butyric acid ester with butyl lactate;   lactic acid, butyl ester, butyrate;   n-butyl n-butyryl lactate
 xref: CAS:7492-70-8;   Chemspider:22539;   FooDB:FDB016132;   HMDB:HMDB0037137;   LIPID_MAPS_instance:LMFA07010792;   PMID:30402589;   PMID:34452275;   PMID:34471210;   Reaxys:1709603


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19751
    role 19724
      application 19557
        food additive 15861
          flavouring agent 4175
            butyl butyryllactate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19751
    subatomic particle 19749
      composite particle 19749
        hadron 19749
          baryon 19749
            nucleon 19749
              atomic nucleus 19749
                atom 19749
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19644
                        carbon atom 19640
                          organic molecular entity 19640
                            organic group 18846
                              organic divalent group 18832
                                organodiyl group 18832
                                  carbonyl group 18799
                                    carbonyl compound 18799
                                      carboxylic acid 18515
                                        monocarboxylic acid 17853
                                          fatty acid 16521
                                            fatty acid derivative 8892
                                              fatty alcohol 5997
                                                primary fatty alcohol 5646
                                                  short-chain primary fatty alcohol 5637
                                                    butan-1-ol 5599
                                                      butyl butyryllactate 0
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