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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 20089
    role 20042
      application 19781
        pharmaceutical 19624
          SH-11037 0
Path 2
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  CHEBI ontology 20089
    subatomic particle 20058
      composite particle 20058
        hadron 20088
          baryon 20088
            nucleon 20088
              atomic nucleus 20088
                atom 20058
                  main group element atom 19960
                    main group molecular entity 19960
                      s-block molecular entity 19784
                        hydrogen molecular entity 19777
                          hydrides 19115
                            organic hydride 18675
                              organic fundamental parent 18657
                                hydrocarbon 18408
                                  cyclic hydrocarbon 17206
                                    monocyclic hydrocarbon 6061
                                      annulene 5708
                                        aromatic annulene 5706
                                          benzene 5706
                                            alkylbenzene 3407
                                              methylbenzene 3272
                                                toluene 3137
                                                  benzyl group 2540
                                                    phenylalanine 2540
                                                      L-phenylalanine 2283
                                                        L-phenylalanine derivative 2270
                                                          SH-11037 0
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