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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:Secalonic acid K
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Accession:CHEBI:207275 term browser browse the term
Synonyms:exact_synonym: methyl (4S,4aS)-7-[(5R,6S,10aR)-1,5,9-trihydroxy-10a-methoxycarbonyl-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-4,8,9-trihydroxy-6-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate
 related_synonym: Formula=C32H30O14;   InChI=1S/C32H30O14/c1-11-10-17-21(27(39)22-14(33)6-8-18(35)31(22,46-17)29(41)43-3)25(37)19(11)13-5-7-16-20(24(13)36)26(38)23-15(34)9-12(2)28(40)32(23,45-16)30(42)44-4/h5,7,10,12,18,28,35-40H,6,8-9H2,1-4H3/t12-,18-,28+,31+,32+/m0/s1;   InChIKey=WIZZCXFBFFCTSY-JVALTKHYSA-N;   SMILES=O=C1C2=C(O)C3=C(O)C(C4=C(O)C=5C(O)=C6C(=O)CC[C@@H]([C@@]6(C(=O)OC)OC5C=C4C)O)=CC=C3O[C@@]2(C(=O)OC)[C@H](O)[C@H](C1)C

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Path 1
Term Annotations click to browse term
  CHEBI ontology 2
    chemical entity 2
      atom 2
        nonmetal atom 2
          oxygen atom 1
            oxygen molecular entity 1
              organooxygen compound 0
                oxacycle 0
                  dibenzopyran 0
                    xanthenes 0
                      Secalonic acid K 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    main group molecular entity 2
                      p-block molecular entity 2
                        carbon group molecular entity 2
                          organic molecular entity 2
                            organic molecule 2
                              organic cyclic compound 2
                                organic heterocyclic compound 2
                                  organic heteropolycyclic compound 0
                                    dibenzopyran 0
                                      xanthenes 0
                                        Secalonic acid K 0
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