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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:cassiaoccidentalin A
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Accession:CHEBI:140126 term browser browse the term
Synonyms:related_synonym: Formula=C27H28O13;   InChI=1S/C27H28O13/c1-9-20(32)23(35)26(40-27-24(36)22(34)19(31)10(2)38-27)25(37-9)18-14(30)8-16-17(21(18)33)13(29)7-15(39-16)11-3-5-12(28)6-4-11/h3-10,19-20,22,24-28,30-34,36H,1-2H3/t9?,10?,19-,20+,22-,24?,25-,26-,27-/m0/s1;   InChIKey=KCQFNIYRJNSNLG-DVHOVLSXSA-N;   SMILES=C=1(OC2=C(C(C1)=O)C(=C(C(=C2)O)[C@H]3[C@H](C([C@@H](C(O3)C)O)=O)O[C@H]4C([C@H]([C@H](C(O4)C)O)O)O)O)C5=CC=C(C=C5)O
 xref: LIPID_MAPS_instance:LMPK12110268


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          oxygen atom 0
            oxygen molecular entity 0
              flavonoids 0
                flavonoid 0
                  flavones 0
                    cassiaoccidentalin A 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
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  oxacycle 0
                                    benzopyran 0
                                      1-benzopyran 0
                                        flavonoid 0
                                          flavones 0
                                            cassiaoccidentalin A 0
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