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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:Cardinalin 9
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Accession:CHEBI:208855 term browser browse the term
Synonyms:exact_synonym: (1R,3S,4aS,10aR)-8-[(1R,3S,4aR,5R,10aS)-5,9-dihydroxy-7-methoxy-1,3-dimethyl-10-oxo-1,3,4,4a,5,10a-hexahydrobenzo[g]isochromen-8-yl]-9,10a-dihydroxy-7-methoxy-1,3-dimethyl-1,3,4,4a-tetrahydrobenzo[g]isochromene-5,10-dione
 related_synonym: Formula=C32H36O11;   InChI=1S/C32H36O11/c1-11-7-15-21(13(3)42-11)28(35)22-16(26(15)33)9-19(40-5)24(29(22)36)25-20(41-6)10-17-23(30(25)37)31(38)32(39)14(4)43-12(2)8-18(32)27(17)34/h9-15,18,21,26,33,36-37,39H,7-8H2,1-6H3/t11-,12-,13+,14+,15+,18+,21+,26+,32-/m0/s1;   InChIKey=HDBJJEWAILVMQM-RHZYLHHPSA-N;   SMILES=O=C1C2=C(O)C(C3=C(O)C=4C(=O)[C@H]5[C@@H](C[C@H](C)O[C@@H]5C)[C@H](C4C=C3OC)O)=C(OC)C=C2C(=O)[C@@H]6[C@@]1(O)[C@H](O[C@H](C6)C)C
 xref: Chemspider:78437929

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  CHEBI ontology 0
    chemical entity 0
      group 0
        polyatomic entity 0
          molecule 0
            cyclic compound 0
              organic cyclic compound 0
                organic aromatic compound 0
                  phenylpropanoid 0
                    Cardinalin 9 0
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  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
                      p-block molecular entity 0
                        carbon group molecular entity 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic aromatic compound 0
                                  phenylpropanoid 0
                                    Cardinalin 9 0
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