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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:Graphiumin C
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Accession:CHEBI:201344 term browser browse the term
Synonyms:exact_synonym: [(1R,4S,5S,12R,15S,16S)-16-[(3S)-3-hydroxyoctanoyl]oxy-1,12-bis(methylsulanyl)-2,13-dioxo-8,19-dioxa-3,14-diazapentacyclo[12.8.0.03,12.04,10.015,21]docosa-6,9,17,20-tetraen-5-yl] (3S)-3-hydroxyoctanoate
 related_synonym: Formula=C36H50N2O10S2;   InChI=1S/C36H50N2O10S2/c1-5-7-9-11-25(39)17-29(41)47-27-13-15-45-21-23-19-35(49-3)34(44)38-32-24(20-36(38,50-4)33(43)37(35)31(23)27)22-46-16-14-28(32)48-30(42)18-26(40)12-10-8-6-2/h13-16,21-22,25-28,31-32,39-40H,5-12,17-20H2,1-4H3/t25-,26-,27-,28-,31-,32-,35+,36+/m0/s1;   InChIKey=ZTPYZCKBNVVRJH-UNGBEAOESA-N;   SMILES=S([C@@]12N(C(=O)[C@]3(SC)CC=4[C@H](N3C1=O)[C@@H](OC(=O)C[C@@H](O)CCCCC)C=COC4)[C@@H]5[C@@H](OC(=O)C[C@@H](O)CCCCC)C=COC=C5C2)C
 xref: Chemspider:40256644

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  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          nitrogen atom 0
            nitrogen molecular entity 0
              organonitrogen compound 0
                Graphiumin C 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            inorganic hydride 0
                              pnictogen hydride 0
                                nitrogen hydride 0
                                  azane 0
                                    ammonia 0
                                      organic amino compound 0
                                        amino acid 0
                                          alpha-amino acid 0
                                            Graphiumin C 0
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