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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:ciguatoxin IJKLM cyclic acetal
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Accession:CHEBI:61273 term browser browse the term
Definition:A polycyclic ether comprising a linear sequence of sequence of five trans-fused oxacycles and one spiro-fused tetrahydrofuran ring.
Synonyms:exact_synonym: [(4aR,6R,7aS,8aR,9S,10S,10aS,12R,13S,14S,14aR,15aS,16aR,17aS)-10,10a-dihydroxy-6,9,13,14-tetramethyloctadecahydro-1H,3'H-spiro[1,3-dioxino[5,4-b]pyrano[2'',3'':6',7']oxepino[2',3':5,6]pyrano[2,3-g]oxocine-12,2'-furan]-3-yl]acetic acid
 related_synonym: Formula=C28H44O11;   InChI=1S/C28H44O11/c1-13-8-17-19(35-21-12-33-23(11-22(29)30)36-18(21)9-13)10-20-24(37-17)15(3)25(31)28(32)26(38-20)14(2)16(4)27(39-28)6-5-7-34-27/h13-21,23-26,31-32H,5-12H2,1-4H3,(H,29,30)/t13-,14+,15-,16+,17+,18-,19-,20+,21+,23?,24-,25+,26-,27-,28+/m1/s1;   InChIKey=BCRACEMMSIEVIP-HDJBMSHGSA-N;   SMILES=[H][C@]12COC(CC(O)=O)O[C@]1([H])C[C@H](C)C[C@]1([H])O[C@]3([H])[C@@H](C)[C@H](O)[C@]4(O)O[C@]5(CCCO5)[C@@H](C)[C@H](C)[C@@]4([H])O[C@@]3([H])C[C@@]1([H])O2
 xref: PMID:19523973


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  CHEBI ontology 903
    role 862
      biological role 862
        hapten 0
          ciguatoxin IJKLM cyclic acetal 0
Path 2
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  CHEBI ontology 903
    subatomic particle 888
      composite particle 888
        hadron 888
          baryon 888
            nucleon 888
              atomic nucleus 888
                atom 888
                  main group element atom 857
                    p-block element atom 854
                      carbon group element atom 830
                        carbon atom 829
                          organic molecular entity 829
                            heteroorganic entity 583
                              organochalcogen compound 529
                                organooxygen compound 462
                                  ether 143
                                    cyclic ether 81
                                      polycyclic ether 1
                                        ciguatoxin IJKLM cyclic acetal 0
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