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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:SH-11037
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Accession:CHEBI:132925 term browser browse the term
Definition:A homoisoflavonoid that is cremastranone in which the phenolic hydroxy of the 3-hydroxy-4-methoxybenzyl group has undergone formal esterification with N-Boc-L-phenylalanine and in which both of the remaining hydroxy groups have undergone O-methylation.
Synonyms:exact_synonym: 2-methoxy-5-[(5,6,7-trimethoxy-4-oxo-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl N-(tert-butoxycarbonyl)-L-phenylalaninate
 related_synonym: 2-methoxy-5-[(5,6,7-trimethoxy-4-oxo-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoate;   Formula=C34H39NO10;   InChI=1S/C34H39NO10/c1-34(2,3)45-33(38)35-23(16-20-11-9-8-10-12-20)32(37)44-25-17-21(13-14-24(25)39-4)15-22-19-43-26-18-27(40-5)30(41-6)31(42-7)28(26)29(22)36/h8-14,17-18,22-23H,15-16,19H2,1-7H3,(H,35,38)/t22?,23-/m0/s1;   InChIKey=WNDLJGVBWVLFKK-WCSIJFPASA-N;   SMILES=C12=C(C(=C(C=C1OCC(C2=O)CC=3C=CC(=C(C3)OC(=O)[C@@H](NC(OC(C)(C)C)=O)CC=4C=CC=CC4)OC)OC)OC)OC
 xref: PMID:26035340;   PMID:27148944;   PMID:27481561;   Reaxys:27554585


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  CHEBI ontology 19831
    role 19807
      application 19650
        pharmaceutical 19491
          SH-11037 0
Path 2
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  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    main group molecular entity 19779
                      s-block molecular entity 19617
                        hydrogen molecular entity 19604
                          hydrides 19102
                            organic hydride 18674
                              organic fundamental parent 18674
                                hydrocarbon 18410
                                  cyclic hydrocarbon 17225
                                    monocyclic hydrocarbon 6144
                                      annulene 5795
                                        aromatic annulene 5795
                                          benzene 5795
                                            alkylbenzene 3509
                                              methylbenzene 3370
                                                toluene 3242
                                                  benzyl group 2651
                                                    phenylalanine 2651
                                                      L-phenylalanine 2374
                                                        L-phenylalanine derivative 2335
                                                          SH-11037 0
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