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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:Paulomycin C
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Accession:CHEBI:222200 term browser browse the term
Synonyms:exact_synonym: (3R)-3-[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3-hydroxy-4-[(2S,4S,5S,6R)-5-hydroxy-4-methoxy-6-methyl-5-[(1S)-1-propanoyloxyethyl]oxan-2-yl]oxy-5-[(E)-2-isothiocyanatobut-2-enoyl]oxyoxan-2-yl]-2,3-dihydroxy-6-imino-5-oxocyclohexene-1-carboxylic acid
 related_synonym: Formula=C32H42N2O17S;   InChI=1S/C32H42N2O17S/c1-7-16(34-12-52)30(42)51-25-18(11-46-15(5)35)49-28(31(43)10-17(36)23(33)22(27(31)39)29(40)41)24(38)26(25)50-21-9-19(45-6)32(44,14(4)48-21)13(3)47-20(37)8-2/h7,13-14,18-19,21,24-26,28,33,38-39,43-44H,8-11H2,1-6H3,(H,40,41)/b16-7+,33-23?/t13-,14+,18+,19-,21+,24+,25-,26-,28+,31-,32+/m0/s1;   InChIKey=URXHZXRXRUZHKO-OKSNKMHPSA-N;   SMILES=S=C=N/C(/C(=O)O[C@@H]1[C@@H](O[C@H]2O[C@@H]([C@](O)([C@@H](OC(=O)CC)C)[C@H](C2)OC)C)[C@@H](O)[C@H]([C@@]3(O)C(O)=C(C(=N)C(C3)=O)C(=O)O)O[C@@H]1COC(=O)C)=C/C
 xref: Chemspider:78442988


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19848
    chemical entity 19846
      atom 19846
        nonmetal atom 19784
          oxygen atom 19527
            oxygen molecular entity 19527
              organooxygen compound 19175
                Paulomycin C 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19848
    subatomic particle 19846
      composite particle 19846
        hadron 19846
          baryon 19846
            nucleon 19846
              atomic nucleus 19846
                atom 19846
                  main group element atom 19796
                    p-block element atom 19796
                      carbon group element atom 19741
                        carbon atom 19737
                          organic molecular entity 19737
                            heteroorganic entity 19495
                              organochalcogen compound 19257
                                organooxygen compound 19175
                                  carbon oxoacid 18641
                                    carboxylic acid 18638
                                      tetracarboxylic acid 541
                                        Paulomycin C 0
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