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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:Chloropupukeanone A
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Accession:CHEBI:207995 term browser browse the term
Synonyms:exact_synonym: methyl (1S,3S,6R,7S)-7-chloro-4-[(1R,2R,5S,6S)-2-(2,6-dihydroxy-4-methylbenzoyl)oxy-5-hydroxy-1-(3-methylbut-2-enyl)-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-3-hydroxy-6-methyl-2,8-dioxotricyclo[4.3.1.03,7]dec-4-ene-1-carboxylate
 related_synonym: Formula=C32H33ClO11;   InChI=1S/C32H33ClO11/c1-14(2)6-7-30-23(43-25(38)22-18(34)8-15(3)9-19(22)35)16(10-20(36)24(30)44-30)17-11-28(4)13-29(27(40)42-5)12-21(37)32(28,33)31(17,41)26(29)39/h6,8-11,20,23-24,34-36,41H,7,12-13H2,1-5H3/t20-,23+,24-,28-,29+,30+,31-,32-/m0/s1;   InChIKey=OREOZQNTHRYERA-VNELKZGHSA-N;   SMILES=Cl[C@]12C(=O)C[C@]3(C(=O)OC)C([C@@]1(O)C(C4=C[C@H](O)[C@H]5[C@@]([C@@H]4OC(=O)C6=C(O)C=C(C)C=C6O)(O5)CC=C(C)C)=C[C@]2(C3)C)=O
 xref: Chemspider:78438437


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19841
    role 19817
      biological role 19815
        antimicrobial agent 18166
          antifungal agent 16857
            salicylic acid 1544
              Chloropupukeanone A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19789
                    p-block element atom 19789
                      carbon group element atom 19737
                        carbon atom 19733
                          organic molecular entity 19733
                            heteroorganic entity 19492
                              organochalcogen compound 19255
                                organooxygen compound 19172
                                  carbon oxoacid 18641
                                    carboxylic acid 18638
                                      aromatic carboxylic acid 12618
                                        benzoic acids 12595
                                          benzoic acid 5331
                                            hydroxybenzoic acid 4797
                                              monohydroxybenzoic acid 2613
                                                salicylic acid 1544
                                                  Chloropupukeanone A 0
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