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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:Phomactin B1
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Accession:CHEBI:212046 term browser browse the term
Synonyms:exact_synonym: (3S,5R,8E,12S,13S,14R,16R)-14,16-dihydroxy-5,9,12,13,16-pentamethyl-4-oxatricyclo[10.3.1.03,5]hexadeca-1(15),8-dien-2-one
 related_synonym: Formula=C20H30O4;   InChI=1S/C20H30O4/c1-12-7-6-9-19(4)17(24-19)16(22)14-11-15(21)13(2)18(3,10-8-12)20(14,5)23/h7,11,13,15,17,21,23H,6,8-10H2,1-5H3/b12-7+/t13-,15-,17-,18+,19-,20+/m1/s1;   InChIKey=IXABPXZNFDNAMM-SIMHYOILSA-N;   SMILES=O=C1C2=C[C@@H](O)[C@@H](C)[C@@]([C@]2(O)C)(CCC(C)=CCC[C@@]3([C@@H]1O3)C)C
 xref: Chemspider:8647490


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 26046
    chemical entity 26025
      molecular entity 26003
        polyatomic entity 25888
          heteroatomic molecular entity 25539
            hydroxides 24060
              organic hydroxy compound 22073
                alcohol 16645
                  tertiary alcohol 10833
                    Phomactin B1 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26046
    subatomic particle 26021
      composite particle 26021
        hadron 26021
          baryon 26021
            nucleon 26021
              atomic nucleus 26021
                atom 26021
                  main group element atom 25846
                    p-block element atom 25846
                      p-block molecular entity 25841
                        chalcogen molecular entity 24929
                          oxygen molecular entity 24819
                            hydroxides 24060
                              organic hydroxy compound 22073
                                alcohol 16645
                                  tertiary alcohol 10833
                                    Phomactin B1 0
paths to the root