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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:Carbamidocyclophane D
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Accession:CHEBI:225737 term browser browse the term
Synonyms:exact_synonym: [(2R,3S,13R,14S)-8-butyl-13-carbamoyloxy-19-(4-chlorobutyl)-10,21,24,26-tetrahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] carbamate
 related_synonym: Formula=C38H57ClN2O8;   InChI=1S/C38H57ClN2O8/c1-4-5-14-25-15-8-6-12-23(2)36(49-38(41)47)28-21-31(44)34(32(45)22-28)26(17-10-11-18-39)16-9-7-13-24(3)35(48-37(40)46)27-19-29(42)33(25)30(43)20-27/h19-26,35-36,42-45H,4-18H2,1-3H3,(H2,40,46)(H2,41,47)/t23-,24-,25?,26?,35+,36+/m0/s1;   InChIKey=YSZWKXRRCFZDNI-MJVHAFATSA-N;   SMILES=ClCCCCC1C2=C(O)C=C([C@H](OC(=O)N)[C@H](CCCCC(CCCC)C3=C(C=C([C@@H]([C@H](CCCC1)C)OC(=O)N)C=C3O)O)C)C=C2O
 xref: Chemspider:17214518

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Path 1
Term Annotations click to browse term
  CHEBI ontology 2
    chemical entity 2
      molecular entity 2
        polyatomic entity 2
          heteroatomic molecular entity 2
            hydroxides 1
              organic hydroxy compound 1
                phenols 0
                  Carbamidocyclophane D 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    p-block element atom 2
                      carbon group element atom 2
                        carbon atom 2
                          organic molecular entity 2
                            organic molecule 2
                              organic cyclic compound 2
                                organic aromatic compound 1
                                  phenols 0
                                    Carbamidocyclophane D 0
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