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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:Austalide P acid butyl ester
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Accession:CHEBI:199769 term browser browse the term
Synonyms:exact_synonym: butyl 3-[(5aS,8R,9S,9aR)-8-(2-hydroxypropan-2-yl)-11-methoxy-4,5a,9-trimethyl-1-oxo-3,6,7,8,9a,10-hexahydro-[2]benzouro[5,6-b]chromen-9-yl]propanoate
 related_synonym: Formula=C29H42O7;   InChI=1S/C29H42O7/c1-8-9-14-34-22(30)11-12-28(5)20(27(3,4)32)10-13-29(6)21(28)15-18-24(36-29)17(2)19-16-35-26(31)23(19)25(18)33-7/h20-21,32H,8-16H2,1-7H3/t20-,21+,28-,29-/m0/s1;   InChIKey=VZKSJYFCTRVSHA-ABGRUQAOSA-N;   SMILES=O=C1OCC=2C1=C(OC)C3=C(O[C@]4(CC[C@H]([C@@]([C@H]4C3)(CCC(=O)OCCCC)C)C(O)(C)C)C)C2C
 xref: Chemspider:32674948


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 5177
    chemical entity 5177
      atom 5168
        nonmetal atom 5134
          oxygen atom 5003
            oxygen molecular entity 5003
              organooxygen compound 4815
                oxacycle 4634
                  dibenzopyran 1
                    xanthenes 1
                      Austalide P acid butyl ester 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5177
    subatomic particle 5168
      composite particle 5168
        hadron 5168
          baryon 5168
            nucleon 5168
              atomic nucleus 5168
                atom 5168
                  main group element atom 5140
                    main group molecular entity 5139
                      p-block molecular entity 5137
                        carbon group molecular entity 5056
                          organic molecular entity 5055
                            organic molecule 5003
                              organic cyclic compound 4943
                                organic heterocyclic compound 4730
                                  organic heteropolycyclic compound 4521
                                    dibenzopyran 1
                                      xanthenes 1
                                        Austalide P acid butyl ester 0
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