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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:orbiculin F
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Accession:CHEBI:66827 term browser browse the term
Definition:A dihydroagarofuran sesquiterpenoid that consists of dihydro-beta-agarofuran substituted by acetoxy group at position 1, benzoyloxy group at position 9 and furoyloxy groups at positions 2 and 6 (the 1beta,9alpha,2beta,6alpha stereoisomer). Isolated from Celastrus orbiculatus, it exhibits inhibition of both NF-kappaB activation and nitric oxide production.
Synonyms:exact_synonym: (3R,5S,5aR,6R,7S,9R,9aS,10R)-6-(acetyloxy)-5-(benzoyloxy)-2,2,5a,9-tetramethyloctahydro-2H-3,9a-methano-1-benzoxepine-7,10-diyl difuran-3-carboxylate
 related_synonym: (1S,2R,4S,5R,6R,7S,9R,12R)-5-acetoxy-7-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0(1,6)]dodecane-4,12-diyl di(3-furoate);   1beta-acetoxy-9alpha-benzoyloxy-2beta,6alpha-di(3-furoyloxy)-dihydro-beta-agarofuran;   Formula=C34H36O11;   InChI=1S/C34H36O11/c1-19-15-25(42-30(37)22-11-13-39-17-22)28(41-20(2)35)33(5)26(43-29(36)21-9-7-6-8-10-21)16-24-27(34(19,33)45-32(24,3)4)44-31(38)23-12-14-40-18-23/h6-14,17-19,24-28H,15-16H2,1-5H3/t19-,24-,25+,26+,27-,28+,33-,34-/m1/s1;   InChIKey=BRLFNCXCWAFVFC-DYQOWCLGSA-N;   SMILES=[H][C@]12C[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(C)=O)[C@H](C[C@@H](C)[C@@]3(OC1(C)C)[C@@H]2OC(=O)c1ccoc1)OC(=O)c1ccoc1
 xref: PMID:10346948;   Reaxys:8374098


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  CHEBI ontology 19811
    role 19818
      biological role 19785
        biochemical role 19496
          metabolite 19484
            orbiculin F 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    main group molecular entity 19759
                      s-block molecular entity 19628
                        hydrogen molecular entity 19614
                          hydrides 19087
                            organic hydride 18656
                              organic fundamental parent 18656
                                hydrocarbon 18396
                                  terpene 14014
                                    terpenoid 13711
                                      sesquiterpenoid 3270
                                        eudesmane sesquiterpenoid 9
                                          dihydroagarofuran 0
                                            dihydroagarofuran sesquiterpenoid 0
                                              orbiculin F 0
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