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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 19821
    role 19769
      application 19481
        pharmaceutical 19329
          SH-11037 0
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  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    main group molecular entity 19716
                      s-block molecular entity 19502
                        hydrogen molecular entity 19498
                          hydrides 18852
                            organic hydride 18353
                              organic fundamental parent 18353
                                hydrocarbon 18066
                                  cyclic hydrocarbon 17078
                                    monocyclic hydrocarbon 5831
                                      annulene 5656
                                        aromatic annulene 5656
                                          benzene 5656
                                            alkylbenzene 3372
                                              methylbenzene 3237
                                                toluene 3103
                                                  benzyl group 2517
                                                    phenylalanine 2517
                                                      L-phenylalanine 2262
                                                        L-phenylalanine derivative 2249
                                                          SH-11037 0
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