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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:Bipolarolide E
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Accession:CHEBI:226446 term browser browse the term
Synonyms:exact_synonym: (1R,3'S,4S,5R,5'R,7R,10S,11R,14R)-4-hydroxy-16-(2-hydroxyethyl)-5'-(3-hydroxy-2-methylprop-1-enyl)-3',4,7-trimethylspiro[2-oxa-16-azatetracyclo[12.3.0.01,5.07,11]heptadecane-10,2'-oxolane]-15,17-dione
 related_synonym: Formula=C27H41NO7;   InChI=1S/C27H41NO7/c1-16(14-30)11-18-12-17(2)26(35-18)8-7-24(3)13-21-25(4,33)15-34-27(21)19(5-6-20(24)26)22(31)28(9-10-29)23(27)32/h11,17-21,29-30,33H,5-10,12-15H2,1-4H3/t17-,18-,19-,20+,21+,24+,25+,26-,27-/m0/s1;   InChIKey=NXLXVGIDBVMWFG-HNXIQDBZSA-N;   SMILES=O=C1N(C(=O)[C@H]2[C@@]13OC[C@]([C@H]3C[C@]4(CC[C@]5([C@@H]4CC2)O[C@@H](C=C(CO)C)C[C@@H]5C)C)(O)C)CCO


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19893
    chemical entity 19891
      atom 19891
        nonmetal atom 19814
          carbon atom 19767
            organic molecular entity 19767
              isoprenoid 14081
                terpenoid 13781
                  sesquiterpenoid 3289
                    Bipolarolide E 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19893
    subatomic particle 19891
      composite particle 19891
        hadron 19891
          baryon 19891
            nucleon 19891
              atomic nucleus 19891
                atom 19891
                  main group element atom 19830
                    main group molecular entity 19830
                      s-block molecular entity 19664
                        hydrogen molecular entity 19646
                          hydrides 19154
                            organic hydride 18705
                              organic fundamental parent 18705
                                hydrocarbon 18451
                                  terpene 14081
                                    sesquiterpene 3290
                                      sesquiterpenoid 3289
                                        Bipolarolide E 0
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