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(1'S,5'S)-averufin - Ontology Report - Rat Genome Database

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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:(1'S,5'S)-averufin
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Accession:CHEBI:71537 term browser browse the term
Definition:An organic heteropentacyclic compound that is 3,4,5,6-tetrahydro-2H-2,6-epoxyanthra[2,3-b]oxocine-8,13-dione substituted at position 2 by a methyl group and at positions 7, 9 and 11 by hydroxy groups (the S,S-diastereomer)
Synonyms:exact_synonym: (2S,6S)-7,9,11-trihydroxy-2-methyl-3,4,5,6-tetrahydro-2H-2,6-epoxyanthra[2,3-b]oxocine-8,13-dione
 related_synonym: Formula=C20H16O7;   InChI=1S/C20H16O7/c1-20-4-2-3-12(26-20)16-13(27-20)7-10-15(19(16)25)18(24)14-9(17(10)23)5-8(21)6-11(14)22/h5-7,12,21-22,25H,2-4H2,1H3/t12-,20-/m0/s1;   InChIKey=RYFFZJHGQCKWMV-YUNKPMOVSA-N;   SMILES=[H][C@]12CCC[C@](C)(Oc3cc4C(=O)c5cc(O)cc(O)c5C(=O)c4c(O)c13)O2
 xref: CAS:14016-29-6;   MetaCyc:CPD-10167;   PMID:20195823;   PMID:8368836;   Reaxys:5310443


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  CHEBI ontology 20856
    role 20816
      biological role 20814
        biochemical role 20261
          metabolite 20243
            eukaryotic metabolite 19957
              fungal metabolite 18283
                (1'S,5'S)-averufin 0
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  CHEBI ontology 20856
    subatomic particle 20854
      composite particle 20854
        hadron 20854
          baryon 20854
            nucleon 20854
              atomic nucleus 20854
                atom 20854
                  main group element atom 20777
                    p-block element atom 20777
                      carbon group element atom 20710
                        carbon atom 20704
                          organic molecular entity 20704
                            heteroorganic entity 20215
                              organochalcogen compound 19902
                                organooxygen compound 19804
                                  acetal 10803
                                    ketal 6117
                                      cyclic ketal 6051
                                        (1'S,5'S)-averufin 0
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