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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 19792
    role 19738
      application 19385
        pharmaceutical 19255
          SH-11037 0
Path 2
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  CHEBI ontology 19792
    subatomic particle 19788
      composite particle 19788
        hadron 19788
          baryon 19788
            nucleon 19788
              atomic nucleus 19788
                atom 19788
                  main group element atom 19675
                    main group molecular entity 19675
                      s-block molecular entity 19420
                        hydrogen molecular entity 19411
                          hydrides 18460
                            organic hydride 17773
                              organic fundamental parent 17773
                                hydrocarbon 17294
                                  cyclic hydrocarbon 15325
                                    monocyclic hydrocarbon 5770
                                      annulene 5592
                                        aromatic annulene 5592
                                          benzene 5592
                                            alkylbenzene 3346
                                              methylbenzene 3209
                                                toluene 3072
                                                  benzyl group 2482
                                                    phenylalanine 2482
                                                      L-phenylalanine 2228
                                                        L-phenylalanine derivative 2217
                                                          SH-11037 0
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