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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:Rutaevin
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Accession:CHEBI:8919 term browser browse the term
Definition:A steroid lactone that has formula C26H30O9.
Synonyms:related_synonym: Formula=C26H30O9;   InChI=1S/C26H30O9/c1-22(2)17-16(28)18(29)24(4)13(25(17)11-32-15(27)9-14(25)34-22)5-7-23(3)19(12-6-8-31-10-12)33-21(30)20-26(23,24)35-20/h6,8,10,13-14,17-20,29H,5,7,9,11H2,1-4H3/t13-,14-,17-,18-,19-,20+,23-,24-,25-,26+/m0/s1;   InChIKey=YZMKFMIZNSOPSN-XGTMLCIVSA-N;   SMILES=CC1(C)O[C@H]2CC(=O)OC[C@@]22[C@H]1C(=O)[C@H](O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](OC(=O)[C@H]3O[C@@]123)c1ccoc1
 xref: CAS:33237-37-5;   KEGG:C08779;   KNApSAcK:C00003727
 xref_mesh: MESH:C079993


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19773
    chemical entity 19773
      atom 19772
        nonmetal atom 19651
          carbon atom 19569
            organic molecular entity 19569
              lipid 17486
                steroid 13053
                  steroid lactone 412
                    Rutaevin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19773
    subatomic particle 19772
      composite particle 19772
        hadron 19772
          baryon 19772
            nucleon 19772
              atomic nucleus 19772
                atom 19772
                  main group element atom 19662
                    p-block element atom 19662
                      carbon group element atom 19579
                        carbon atom 19569
                          organic molecular entity 19569
                            organic group 18613
                              organic divalent group 18604
                                organodiyl group 18604
                                  carbonyl group 18521
                                    carbonyl compound 18521
                                      carboxylic ester 15527
                                        lactone 9743
                                          steroid lactone 412
                                            Rutaevin 0
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