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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:Acaulin A
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Accession:CHEBI:217013 term browser browse the term
Synonyms:exact_synonym: (1S,2S,5S,6R,7E,11S,15S,16S,19S,22E,24R,25S)-6,16,24-trihydroxy-1-[(3E,5R,6S,9R,14S)-5-hydroxy-6,14-dimethyl-2,8,11-trioxo-1,7-dioxacyclotetradec-3-en-9-yl]-5,11,19,25-tetramethyl-4,10,20,26-tetraoxatricyclo[14.11.1.02,15]octacosa-7,22-diene-3,9,14,21,27,28-hexone
 related_synonym: Formula=C42H54O19;   InChI=1S/C42H54O19/c1-20-7-9-26(43)19-27(37(51)59-23(4)28(44)11-14-32(48)56-20)42-36-35(31(47)10-8-21(2)57-33(49)15-12-29(45)24(5)60-38(36)52)41(55,39(42)53)18-17-22(3)58-34(50)16-13-30(46)25(6)61-40(42)54/h11-16,20-25,27-30,35-36,44-46,55H,7-10,17-19H2,1-6H3/b14-11+,15-12+,16-13+/t20-,21-,22-,23-,24-,25-,27-,28+,29+,30+,35-,36+,41-,42-/m0/s1;   InChIKey=PIKVVAVNSRXTER-GLBGUGPRSA-N;   SMILES=O=C1O[C@H](CCC(=O)[C@@H]2[C@]3(O)C(=O)[C@]([C@H]2C(O[C@H]([C@@H](C=C1)O)C)=O)(C(=O)O[C@H]([C@H](O)C=CC(O[C@H](CC3)C)=O)C)[C@@H]4C(=O)O[C@H]([C@H](O)C=CC(=O)O[C@H](CCC(C4)=O)C)C)C
 xref: Chemspider:78439893

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Term Annotations click to browse term
  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          oxygen atom 0
            oxygen molecular entity 0
              organooxygen compound 0
                Acaulin A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      pentacarboxylic acid 0
                                        Acaulin A 0
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