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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:guattegaumerine
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Accession:CHEBI:5568 term browser browse the term
Definition:An aromatic ether resulting from oxidative dimerisation between the 4-hydroxy group of one molecule of (1R)-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol and the 3-position of the 4-hydroxybenzyl group of another.
Synonyms:exact_synonym: (1R)-1-[4-(2-hydroxy-5-{[(1R)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)benzyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
 related_synonym: (-)-N,N-dimethyllindoldhamine;   7,7'-Demethyldauricine;   7-Isoquinolinol, 1,2,3,4-tetrahydro-1-((4-(2-hydroxy-5-((1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)phenyl)methyl)-6-methoxy-2-methyl-, (R-(R*,R*))-;   Dauriciline;   Formula=C36H40N2O6;   InChI=1S/C36H40N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-28-21-33(41)35(43-4)19-25(28)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11-16H2,1-4H3/t29-,30-/m1/s1;   InChIKey=FDABVSXGAMFQQH-LOYHVIPDSA-N;   SMILES=COc1cc2CCN(C)[C@H](Cc3ccc(Oc4cc(C[C@H]5N(C)CCc6cc(OC)c(O)cc56)ccc4O)cc3)c2cc1O
 xref: Beilstein:1523406;   CAS:21446-35-5;   KEGG:C06511;   KNApSAcK:C00025616;   PMID:17405005;   PMID:19015976;   PMID:3575505;   Reaxys:1523406



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  CHEBI ontology 20056
    role 20008
      application 19745
        refrigerant 18065
          ammonia 17502
            organic amino compound 17502
              tertiary amino compound 8848
                guattegaumerine 0
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  CHEBI ontology 20056
    subatomic particle 20054
      composite particle 20054
        hadron 20054
          baryon 20054
            nucleon 20054
              atomic nucleus 20054
                atom 20054
                  main group element atom 19956
                    main group molecular entity 19956
                      s-block molecular entity 19752
                        hydrogen molecular entity 19745
                          hydrides 19114
                            inorganic hydride 17882
                              pnictogen hydride 17865
                                nitrogen hydride 17754
                                  azane 17503
                                    ammonia 17502
                                      organic amino compound 17502
                                        tertiary amino compound 8848
                                          dauricine 1
                                            guattegaumerine 0
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