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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:Carnosifloside III
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Accession:CHEBI:3426 term browser browse the term
Definition:A cucurbitacin that has formula C48H78O18.
Synonyms:related_synonym: Formula=C48H78O18;   InChI=1S/C48H78O18/c1-22(20-61-42-40(59)38(57)35(54)29(65-42)21-62-43-39(58)36(55)33(52)27(18-49)63-43)9-8-10-23(2)24-15-16-46(5)30-13-11-25-26(48(30,7)31(51)17-47(24,46)6)12-14-32(45(25,3)4)66-44-41(60)37(56)34(53)28(19-50)64-44/h9,11,23-24,26-30,32-44,49-50,52-60H,8,10,12-21H2,1-7H3/b22-9+/t23-,24-,26-,27-,28-,29-,30+,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,42-,43-,44+,46+,47-,48+/m1/s1;   InChIKey=UHWXBWBOPABGIG-XRSBSPCNSA-N;   SMILES=C[C@H](CC\\C=C(/C)CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
 xref: CAS:109985-92-4;   KEGG:C08791;   KNApSAcK:C00003680


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 5163
    role 5130
      biological role 5130
        biochemical role 5053
          metabolite 5041
            allelochemical 8
              cucurbitacin 7
                Carnosifloside III 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5163
    subatomic particle 5154
      composite particle 5154
        hadron 5154
          baryon 5154
            nucleon 5154
              atomic nucleus 5154
                atom 5154
                  main group element atom 5126
                    main group molecular entity 5125
                      s-block molecular entity 5058
                        hydrogen molecular entity 5051
                          hydrides 4671
                            organic hydride 4526
                              organic fundamental parent 4526
                                hydrocarbon 4489
                                  terpene 4423
                                    terpenoid 4423
                                      triterpenoid 38
                                        tetracyclic triterpenoid 9
                                          cucurbitacin 7
                                            Carnosifloside III 0
paths to the root