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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:Phyllanthostatin A
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Accession:CHEBI:8178 term browser browse the term
Definition:A lignan that has formula C29H30O13.
Synonyms:related_synonym: Formula=C29H30O13;   InChI=1S/C29H30O13/c1-13(31)38-11-16-6-15-8-19(36-2)20(37-3)9-17(15)23(14-4-5-18-21(7-14)40-12-39-18)24(16)28(35)42-29-27(34)26(33)25(32)22(10-30)41-29/h4-9,22,25-27,29-30,32-34H,10-12H2,1-3H3/t22-,25-,26+,27-,29+/m1/s1;   InChIKey=KQSAUOPDQAYSSQ-GPXXLQEOSA-N;   SMILES=COc1cc2cc(COC(C)=O)c(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(-c3ccc4OCOc4c3)c2cc1OC
 xref: CAS:119767-19-0;   KEGG:C10870;   KNApSAcK:C00002618


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19841
    chemical entity 19839
      group 19798
        polyatomic entity 19797
          molecule 19701
            cyclic compound 19516
              aromatic compound 19367
                organic aromatic compound 19367
                  phenylpropanoid 11281
                    lignan 1702
                      Phyllanthostatin A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19789
                    p-block element atom 19789
                      carbon group element atom 19737
                        carbon atom 19733
                          organic molecular entity 19733
                            heteroorganic entity 19492
                              organochalcogen compound 19255
                                organooxygen compound 19172
                                  carbohydrates and carbohydrate derivatives 15285
                                    carbohydrate 15285
                                      carbohydrate derivative 14290
                                        glycosyl compound 13048
                                          glycoside 11832
                                            Phyllanthostatin A 0
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