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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:Azaspiracid-10
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Accession:CHEBI:145164 term browser browse the term
Synonyms:exact_synonym: (E)-5-((2S,3aR,5R,5'R,6R,6''R,7aR)-2-((R)-((2R,4S,5S,6S)-2,4-dihydroxy-5-methyl-6-(3-((2S,3S,3a'R,5R,5'S,7'S,9'R,9a'R)-3,5,7'-trimethylhexahydrospiro[piperidine-2,2'-[5,9]epoxyfuro[3,2-b]oxocin]-5'(3'H)-yl)prop-1-en-2-yl)tetrahydro-2H-pyran-2-yl)(hydroxy)methyl)-4'',6-dimethyl-2,3,3a,3',3'',4',6,6'',7,7a-decahydrodispiro[furo[3,2-b]pyran-5,2'-furan-5',2''-pyran]-6''-yl)pent-4-enoic acid
 related_synonym: AZA-10;   Formula=C47H71NO13;   InChI=1S/C47H71NO13/c1-25-15-32(10-8-9-11-39(50)51)55-43(19-25)12-13-47(61-43)30(6)17-34-35(58-47)18-37(54-34)42(52)46(53)22-33(49)31(7)40(60-46)28(4)21-44-20-26(2)16-36(56-44)41-38(57-44)23-45(59-41)29(5)14-27(3)24-48-45/h8,10,15,26-27,29-38,40-42,48-49,52-53H,4,9,11-14,16-24H2,1-3,5-7H3,(H,50,51)/b10-8+/t26-,27+,29-,30+,31-,32+,33-,34+,35+,36?,37-,38+,40+,41+,42+,43+,44-,45-,46+,47+/m0/s1;   InChIKey=QQXCTYKJKDIJTK-YOSHNPSASA-N;   SMILES=OC(CC/C=C/[C@@]1(C=C(C[C@]2(O1)O[C@]3(CC2)[C@@H](C[C@@]4([C@](O3)(C[C@](O4)([C@H]([C@@]5(O[C@@]([C@H]([C@H](C5)O)C)(C(=C)C[C@@]67C[C@H](C[C@@H](O6)[C@@]8([C@](O7)(C[C@]9(O8)[C@H](C[C@H](CN9)C)C)[H])[H])C)[H])O)O)[H])[H])[H])C)C)[H])=O


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19781
    chemical entity 19781
      group 19699
        polyatomic entity 19698
          molecule 19540
            cyclic compound 19373
              polycyclic compound 18635
                spiro compound 1315
                  azaspiro compound 819
                    Azaspiracid-10 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19781
    subatomic particle 19779
      composite particle 19779
        hadron 19779
          baryon 19779
            nucleon 19779
              atomic nucleus 19779
                atom 19779
                  main group element atom 19669
                    p-block element atom 19669
                      carbon group element atom 19588
                        carbon atom 19578
                          organic molecular entity 19578
                            organic molecule 19510
                              organic cyclic compound 19337
                                organic heterocyclic compound 18550
                                  organonitrogen heterocyclic compound 17522
                                    azaspiro compound 819
                                      Azaspiracid-10 0
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