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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:Smenospongimine
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Accession:CHEBI:201139 term browser browse the term
Synonyms:exact_synonym: 3-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-4-hydroxy-5-(methylamino)cyclohexa-3,5-diene-1,2-dione
 related_synonym: Formula=C22H31NO3;   InChI=1S/C22H31NO3/c1-13-7-6-8-18-21(13,3)10-9-14(2)22(18,4)12-15-19(25)16(23-5)11-17(24)20(15)26/h11,14,18,23,25H,1,6-10,12H2,2-5H3/t14-,18+,21+,22+/m0/s1;   InChIKey=XOGVJROLMJBXQL-YVUMSICPSA-N;   SMILES=O=C1C(=O)C=C(NC)C(=C1C[C@]2([C@H]3[C@@](C(=C)CCC3)(CC[C@@H]2C)C)C)O
 xref: Chemspider:78440848


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    chemical entity 0
      group 0
        inorganic group 0
          oxo group 0
            organic oxo compound 0
              carbonyl compound 0
                ketone 0
                  cyclic ketone 0
                    quinone 0
                      benzoquinones 0
                        Smenospongimine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbonyl compound 0
                                    ketone 0
                                      cyclic ketone 0
                                        quinone 0
                                          benzoquinones 0
                                            Smenospongimine 0
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