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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:7-Hydroxybutylidenephthalide 7-(6-malonylglucoside)
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Accession:CHEBI:168211 term browser browse the term
Synonyms:exact_synonym: 3-[[6-[[(1E)-1-butylidene-3-oxo-2-benzouran-4-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
 related_synonym: Formula=C21H24O11;   InChI=1S/C21H24O11/c1-2-3-6-11-10-5-4-7-12(16(10)20(28)30-11)31-21-19(27)18(26)17(25)13(32-21)9-29-15(24)8-14(22)23/h4-7,13,17-19,21,25-27H,2-3,8-9H2,1H3,(H,22,23)/b11-6+;   InChIKey=CCRZCLUIQCKUKD-IZZDOVSWSA-N;   SMILES=O1C(C(O)C(O)C(O)C1OC=2C3=C(\\C(\\OC3=O)=C/CCC)C=CC2)COC(=O)CC(O)=O
 xref: HMDB:HMDB0034753

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Term Annotations click to browse term
  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          oxygen atom 0
            oxygen molecular entity 0
              organooxygen compound 0
                carbohydrates and carbohydrate derivatives 0
                  carbohydrate derivative 0
                    glycosyl compound 0
                      glycoside 0
                        7-Hydroxybutylidenephthalide 7-(6-malonylglucoside) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbohydrates and carbohydrate derivatives 0
                                    carbohydrate 0
                                      carbohydrate derivative 0
                                        glycosyl compound 0
                                          glycoside 0
                                            7-Hydroxybutylidenephthalide 7-(6-malonylglucoside) 0
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