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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:Guanidylfungin B
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Accession:CHEBI:222757 term browser browse the term
Synonyms:exact_synonym: 3-[[(10Z,20E)-15-[(E)-10-(diaminomethylideneamino)-4-methyldec-4-en-2-yl]-3,5,7,9,23,25,27,31,33,34,35-undecahydroxy-8,10,14,18,22,26,30-heptamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,20-dien-19-yl]oxy]-3-oxopropanoic acid
 related_synonym: Formula=C57H101N3O18;   InChI=1S/C57H101N3O18/c1-31(15-12-10-11-13-22-60-56(58)59)23-36(6)53-35(5)17-14-16-34(4)52(72)38(8)45(65)26-41(62)24-40(61)25-42-27-47(67)54(73)57(75,78-42)30-48(68)33(3)18-20-43(63)37(7)46(66)28-44(64)32(2)19-21-49(39(9)55(74)77-53)76-51(71)29-50(69)70/h15-16,19,21,32-33,35-49,52-54,61-68,72-73,75H,10-14,17-18,20,22-30H2,1-9H3,(H,69,70)(H4,58,59,60)/b21-19-,31-15+,34-16-;   InChIKey=DVNBCGGJVDKDQA-RWVQVBPASA-N;   SMILES=O=C1OC(C(CCC=C(C(O)C(C(O)CC(O)CC(O)CC2OC(CC(C(CCC(C(C(CC(C(C=CC(C1C)OC(=O)CC(=O)O)C)O)O)C)O)C)O)(O)C(O)C(C2)O)C)C)C)C(C/C(=C/CCCCCN=C(N)N)/C)C
 xref: Chemspider:78444911


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  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          oxygen atom 0
            oxygen molecular entity 0
              organooxygen compound 0
                polyketide 0
                  macrolide 0
                    Guanidylfungin B 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
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  ester 0
                                    carboxylic ester 0
                                      lactone 0
                                        macrocyclic lactone 0
                                          macrolide 0
                                            Guanidylfungin B 0
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