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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:hordatine B
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Accession:CHEBI:5763 term browser browse the term
Definition:A member of the class of benzofurans that is a heterodimer of feruloylagmatine and para-coumarylagmatine where the former's hydroxy group has reacted across the latter's ethene double bond resulting in oxidative coupling to form a furan ring.
Synonyms:exact_synonym: (2S,3S)-N-(4-carbamimidamidobutyl)-5-{(1E)-3-[(4-carbamimidamidobutyl)amino]-3-oxoprop-1-en-1-yl}-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide
 related_synonym: Formula=C29H40N8O5;   InChI=1S/C29H40N8O5/c1-41-22-17-18(6-11-23(39)34-12-2-4-14-36-28(30)31)16-21-24(27(40)35-13-3-5-15-37-29(32)33)25(42-26(21)22)19-7-9-20(38)10-8-19/h6-11,16-17,24-25,38H,2-5,12-15H2,1H3,(H,34,39)(H,35,40)(H4,30,31,36)(H4,32,33,37)/b11-6+/t24-,25+/m0/s1;   InChIKey=LRLXAXGCQUOKIO-LHYVIZPNSA-N;   SMILES=COc1cc(\\C=C\\C(=O)NCCCCNC(N)=N)cc2[C@@H]([C@H](Oc12)c1ccc(O)cc1)C(=O)NCCCCNC(N)=N
 xref: CAS:10502-21-3;   KEGG:C08308;   KNApSAcK:C00001416


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Term Annotations click to browse term
  CHEBI ontology 501
    role 501
      biological role 501
        biochemical role 460
          metabolite 451
            hordatine B 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 501
    subatomic particle 501
      composite particle 501
        hadron 501
          baryon 501
            nucleon 501
              atomic nucleus 501
                atom 501
                  main group element atom 494
                    p-block element atom 494
                      carbon group element atom 483
                        carbon atom 482
                          organic molecular entity 482
                            heteroorganic entity 478
                              organochalcogen compound 430
                                organooxygen compound 428
                                  carbon oxoacid 368
                                    carboxylic acid 368
                                      carboacyl group 308
                                        univalent carboacyl group 308
                                          carbamoyl group 306
                                            carboxamide 306
                                              alpha,beta-unsaturated carboxylic acid amide 0
                                                enamide 0
                                                  cinnamamides 0
                                                    4-hydroxy-3-methoxycinnamoylagmatine 0
                                                      feruloylagmatine 0
                                                        hordatine B 0
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