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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:floridanine
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Accession:CHEBI:136491 term browser browse the term
Definition:A pyrrolizine alkaloid that is onetine in which the hydroxy hydrogen has been replaced by an acetyl group.
Synonyms:exact_synonym: (1R,4S,6R,7R,11Z)-4-hydroxy-4-[(1R)-1-hydroxyethyl]-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate;   (1R,6R,7R,11Z)-4-Hydroxy-4-(1-hydroxyethyl)-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate
 related_synonym: Floradanin;   Formula=C21H31NO9;   InChI=1S/C21H31NO9/c1-12-10-21(28,13(2)23)19(27)30-16-7-9-22(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,23,28H,7-11H2,1-5H3/b15-6-/t12-,13-,16-,20-,21+/m1/s1;   InChIKey=MPJBVZKNLCGQHF-XAHVSKGQSA-N;   SMILES=[C@@]1([C@@H](C)O)(O)C(O[C@H]2C(C(=CCN(CC2)C)COC([C@@]([C@@H](C1)C)(OC(=O)C)C)=O)=O)=O
 xref: Beilstein:1095921;   CAS:16958-31-9;   Chemspider:4945572;   PMID:21819407;   Reaxys:23831190


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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            alkaloid 0
              pyrrolizine alkaloid 0
                floridanine 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
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  organic heteropolycyclic compound 0
                                    organic heterobicyclic compound 0
                                      pyrrolizines 0
                                        pyrrolizine alkaloid 0
                                          onetine 0
                                            floridanine 0
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