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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:Bisaspochalasin C
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Accession:CHEBI:217234 term browser browse the term
Synonyms:exact_synonym: (1R,3R,6R,9E,11R,15R,16S)-12-hydroperoxy-6-hydroxy-3-[[(1S,3R,6R,9E,11S,14S,15R,16S)-6-hydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-2,5,18-trioxo-17-azatricyclo[9.7.0.01,15]octadeca-9,12-dien-3-yl]sulanyl]-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-9,13-diene-2,5,18-trione
 related_synonym: Formula=C48H68N2O10S;   InChI=1S/C48H68N2O10S/c1-22(2)15-32-40-27(8)26(7)19-30-17-24(5)11-13-34(51)36(53)20-38(43(55)47(30,40)45(57)49-32)61-39-21-37(54)35(52)14-12-25(6)18-31-42(60-59)29(10)28(9)41-33(16-23(3)4)50-46(58)48(31,41)44(39)56/h17-19,22-23,27,30-35,38-42,51-52,59H,11-16,20-21H2,1-10H3,(H,49,57)(H,50,58)/b24-17+,25-18+/t27-,30+,31+,32+,33+,34-,35-,38-,39-,40+,41+,42?,47+,48+/m1/s1;   InChIKey=FMJGIXCBZMGPNC-ZIDCJWJXSA-N;   SMILES=S([C@H]1C(=O)[C@@]23C(=O)N[C@H]([C@@H]2C(C)=C(C([C@@H]3C=C(C)CC[C@H](C(C1)=O)O)OO)C)CC(C)C)[C@H]4C(=O)[C@@]56C(=O)N[C@H]([C@@H]5[C@H](C)C(=C[C@@H]6C=C(C)CC[C@H](C(C4)=O)O)C)CC(C)C


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  CHEBI ontology 19898
    role 19868
      biological role 19866
        biochemical role 19571
          metabolite 19558
            eukaryotic metabolite 19383
              fungal metabolite 17968
                Bisaspochalasin C 0
Path 2
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  CHEBI ontology 19898
    subatomic particle 19896
      composite particle 19896
        hadron 19896
          baryon 19896
            nucleon 19896
              atomic nucleus 19896
                atom 19896
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19774
                        carbon atom 19771
                          organic molecular entity 19771
                            organic molecule 19724
                              organic cyclic compound 19515
                                organic heterocyclic compound 18890
                                  organic heteropolycyclic compound 18310
                                    organic heterobicyclic compound 17252
                                      benzopyrrole 9745
                                        isoindoles 1152
                                          cytochalasin 82
                                            Bisaspochalasin C 0
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