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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:lobophytumin A
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Accession:CHEBI:69559 term browser browse the term
Definition:A diterpenoid that is cyclodeca-1,6-diene substituted by a methyl group at position 8, a methylidene group at position 4 and a 2-methyl-4-oxohept-2-en-6-yl group at position 1. It has been isolated from the Hainan soft coral Lobophytum cristatum.
Synonyms:exact_synonym: 2-methyl-6-[(1R,2E,7Z)-8-methyl-4-methylidenecyclodeca-2,7-dien-1-yl]hept-2-en-4-one
 related_synonym: Formula=C20H30O;   InChI=1S/C20H30O/c1-15(2)13-20(21)14-18(5)19-11-9-16(3)7-6-8-17(4)10-12-19/h8-9,11,13,18-19H,3,6-7,10,12,14H2,1-2,4-5H3/b11-9+,17-8+/t18?,19-/m1/s1;   InChIKey=SBHIRCGPIWGBMU-SILMOEHZSA-N;   SMILES=CC(CC(=O)C=C(C)C)[C@H]1CCC(C)=CCCC(=C)\\C=C\\1
 xref: PMID:21954851;   Reaxys:21975507


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19770
    role 19720
      biological role 19720
        biochemical role 19310
          metabolite 19292
            marine metabolite 5170
              coral metabolite 0
                lobophytumin A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19662
                    p-block element atom 19662
                      carbon group element atom 19580
                        carbon atom 19571
                          organic molecular entity 19571
                            organic group 18602
                              organic divalent group 18593
                                organodiyl group 18593
                                  carbonyl group 18506
                                    carbonyl compound 18506
                                      ketone 16825
                                        alpha,beta-unsaturated ketone 8951
                                          enone 8951
                                            lobophytumin A 0
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