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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:actinodaphnine
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Accession:CHEBI:2444 term browser browse the term
Definition:An organic heteropentacyclic compound 6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4',5':4,5]benzo[1,2,3-de]quinoline bering additional hydroxy and methoxy substituents at positions 10 and 11 respectively.
Synonyms:exact_synonym: (S)-11-methoxy-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4',5':4,5]benzo[1,2,3-de]quinolin-10-ol
 related_synonym: 1,2-Methylenedioxy-9-hydroxy-10-methoxynoraporphine;   Actinodaphine;   Formula=C18H17NO4;   InChI=1S/C18H17NO4/c1-21-14-7-11-10(5-13(14)20)4-12-16-9(2-3-19-12)6-15-18(17(11)16)23-8-22-15/h5-7,12,19-20H,2-4,8H2,1H3/t12-/m0/s1;   InChIKey=VYJUHRAQPIBWNV-LBPRGKRZSA-N;   SMILES=[H][C@@]12Cc3cc(O)c(OC)cc3-c3c4OCOc4cc(CCN1)c23
 xref: CAS:517-69-1;   KEGG:C09322;   KNApSAcK:C00001790;   PMID:16168547;   PMID:2609975;   PMID:3267205;   Reaxys:44828


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Term Annotations click to browse term
  CHEBI ontology 19874
    role 19844
      biological role 19842
        antimicrobial agent 18240
          antibacterial agent 16364
            actinodaphnine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19874
    subatomic particle 19872
      composite particle 19872
        hadron 19872
          baryon 19872
            nucleon 19872
              atomic nucleus 19872
                atom 19872
                  main group element atom 19811
                    main group molecular entity 19811
                      s-block molecular entity 19647
                        hydrogen molecular entity 19628
                          hydrides 19139
                            inorganic hydride 18156
                              pnictogen hydride 18146
                                nitrogen hydride 18059
                                  azane 17866
                                    ammonia 17865
                                      organic amino compound 17865
                                        secondary amino compound 6953
                                          actinodaphnine 0
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