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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 Annotations click to browse term
  CHEBI ontology 22210
    role 22195
      biological role 22194
        antimicrobial agent 19596
          antifungal agent 17747
            salicylic acid 1550
              Chloropupukeanone A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22210
    subatomic particle 22202
      composite particle 22202
        hadron 22202
          baryon 22202
            nucleon 22202
              atomic nucleus 22202
                atom 22202
                  main group element atom 22136
                    p-block element atom 22136
                      carbon group element atom 21936
                        carbon atom 21861
                          organic molecular entity 21861
                            heteroorganic entity 21517
                              organochalcogen compound 21005
                                organooxygen compound 20846
                                  carbon oxoacid 19634
                                    carboxylic acid 19630
                                      aromatic carboxylic acid 12790
                                        benzoic acids 12768
                                          benzoic acid 5353
                                            hydroxybenzoic acid 4818
                                              monohydroxybenzoic acid 2624
                                                salicylic acid 1550
                                                  Chloropupukeanone A 0
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