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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-9
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Accession:CHEBI:145163 term browser browse the term
Synonyms:exact_synonym: (E)-3-hydroxy-5-((2S,3aR,5R,5'R,6R,6''R,7aR)-2-((R)-hydroxy((2R,5S,6S)-2-hydroxy-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)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-9;   Formula=C47H71NO13;   InChI=1S/C47H71NO13/c1-25-15-33(9-8-32(49)18-39(50)51)55-43(20-25)12-13-47(61-43)31(7)17-34-35(58-47)19-37(54-34)42(52)46(53)11-10-28(4)40(60-46)29(5)22-44-21-26(2)16-36(56-44)41-38(57-44)23-45(59-41)30(6)14-27(3)24-48-45/h8-9,15,26-28,30-38,40-42,48-49,52-53H,5,10-14,16-24H2,1-4,6-7H3,(H,50,51)/b9-8+/t26-,27+,28-,30-,31+,32?,33+,34+,35+,36?,37-,38+,40-,41+,42+,43+,44-,45-,46+,47+/m0/s1;   InChIKey=BHQGPJLTVIGZOC-MHGSMVJPSA-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](CC5)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)=O


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Path 1
Term Annotations click to browse term
  CHEBI ontology 909
    chemical entity 909
      group 876
        polyatomic entity 876
          molecule 751
            cyclic compound 659
              polycyclic compound 333
                spiro compound 11
                  azaspiro compound 0
                    Azaspiracid-9 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 909
    subatomic particle 894
      composite particle 894
        hadron 894
          baryon 894
            nucleon 894
              atomic nucleus 894
                atom 894
                  main group element atom 863
                    p-block element atom 860
                      carbon group element atom 836
                        carbon atom 835
                          organic molecular entity 835
                            organic molecule 750
                              organic cyclic compound 659
                                organic heterocyclic compound 369
                                  organonitrogen heterocyclic compound 227
                                    azaspiro compound 0
                                      Azaspiracid-9 0
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