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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-1
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Accession:CHEBI:145152 term browser browse the term
Synonyms:related_synonym: (E)-5-((2S,3aR,5'R,6R,6''R,7aR)-2-((R)-hydroxy((2R,3R,5S,6S)-2-hydroxy-3,5-dimethyl-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)-6-methyl-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;   Formula=C47H71NO12;   InChI=1S/C47H71NO12/c1-26-18-36-41-38(24-45(58-41)30(5)17-27(2)25-48-45)56-44(22-26,55-36)23-29(4)40-28(3)19-32(7)47(52,59-40)42(51)37-21-35-34(53-37)20-31(6)46(57-35)16-15-43(60-46)14-10-12-33(54-43)11-8-9-13-39(49)50/h8,10-12,26-28,30-38,40-42,48,51-52H,4,9,13-25H2,1-3,5-7H3,(H,49,50)/b11-8+/t26-,27+,28-,30-,31+,32+,33+,34+,35+,36?,37-,38+,40-,41+,42+,43-,44-,45-,46?,47+/m0/s1;   InChIKey=BVZWTQCTAVYACS-GQICYATOSA-N;   SMILES=OC(CC/C=C/[C@@]1(C=CC[C@]2(O1)OC3(CC2)[C@@H](C[C@@]4([C@](O3)(C[C@](O4)([C@H]([C@@]5(O[C@@]([C@H](C[C@H]5C)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)[H])=O;   azaspiracid
 xref: CAS:214899-21-5;   FooDB:FDB011968;   HMDB:HMDB0033805;   KEGG:C16907;   PMID:10728830;   PMID:26694421;   PMID:26865666;   PMID:28554022;   PMID:28848202;   PMID:28939011;   PMID:29107028


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Path 1
Term Annotations click to browse term
  CHEBI ontology 21737
    role 21715
      biological role 21713
        biochemical role 20942
          metabolite 20895
            marine metabolite 5446
              azaspiracid-1 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21737
    subatomic particle 21723
      composite particle 21723
        hadron 21723
          baryon 21723
            nucleon 21723
              atomic nucleus 21723
                atom 21723
                  main group element atom 21638
                    p-block element atom 21638
                      carbon group element atom 21444
                        carbon atom 21345
                          organic molecular entity 21345
                            organic molecule 21240
                              organic cyclic compound 20831
                                organic heterocyclic compound 19831
                                  organonitrogen heterocyclic compound 18036
                                    azaspiro compound 811
                                      azaspiracid-1 0
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