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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:aphagranol A
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Accession:CHEBI:188629 term browser browse the term
Synonyms:exact_synonym: [(1R,2R,3R,4S,7S,10S,12R,13R,14R,15S,18S)-15-(uran-3-yl)-18-hydroxy-4-(hydroxymethyl)-2,4,14-trimethyl-19-methylidene-6,8,17-trioxo-5,11-dioxapentacyclo[10.7.0.02,10.03,7.014,18]nonadecan-13-yl] (2R,3R)-2-hydroxy-3-methylpentanoate
 related_synonym: Formula=C32H40O11;   InChI=1S/C32H40O11/c1-7-14(2)23(36)28(38)42-26-24-22(15(3)32(39)19(35)10-17(31(26,32)6)16-8-9-40-12-16)30(5)20(41-24)11-18(34)21-25(30)29(4,13-33)43-27(21)37/h8-9,12,14,17,20-26,33,36,39H,3,7,10-11,13H2,1-2,4-6H3/t14-,17+,20+,21-,22-,23-,24-,25+,26+,29-,30-,31-,32-/m1/s1;   InChIKey=PBAPKLJHNDYSMT-FWNGPFSFSA-N;   SMILES=O1[C@@]2([C@]([C@@]3([C@]4([C@@](C(=O)C[C@]13[H])(C(O[C@@]4(CO)C)=O)[H])[H])C)(C([C@]5(O)[C@@]([C@H]2OC(=O)[C@H](O)[C@@H](CC)C)([C@@H](CC5=O)C=6C=COC6)C)=C)[H])[H]
 xref: Chemspider:30829984

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Term Annotations click to browse term
  CHEBI ontology 0
    chemical entity 0
      group 0
        inorganic group 0
          oxo group 0
            organic oxo compound 0
              carbonyl compound 0
                carboxylic ester 0
                  fatty acid ester 0
                    aphagranol 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
                                      monocarboxylic acid 0
                                        fatty acid 0
                                          fatty acid derivative 0
                                            fatty acid ester 0
                                              aphagranol A 0
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