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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:Iso-16-deethylindanomycin
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Accession:CHEBI:201291 term browser browse the term
Synonyms:exact_synonym: (2R)-2-[(2S,5R,6R)-6-[(3E,5E)-6-[(3aS,4R,5R,7aR)-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyloxan-2-yl]propanoic acid
 related_synonym: Formula=C29H39NO4;   InChI=1S/C29H39NO4/c1-4-20(28-18(2)13-16-25(34-28)19(3)29(32)33)8-5-10-22-15-14-21-9-6-11-23(21)26(22)27(31)24-12-7-17-30-24/h5,7-8,10,12,14-15,17-19,21-23,25-26,28,30H,4,6,9,11,13,16H2,1-3H3,(H,32,33)/b10-5+,20-8+/t18-,19-,21-,22+,23+,25+,26+,28-/m1/s1;   InChIKey=HSZFOQSMGNAIJM-BTBOFAPCSA-N;   SMILES=O=C(C=1NC=CC1)[C@H]2[C@H](C=C[C@@H]3[C@@H]2CCC3)/C=C/C=C(/[C@@H]4O[C@H]([C@H](C(=O)O)C)CC[C@H]4C)\\CC
 xref: Chemspider:30771464


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19893
    chemical entity 19891
      group 19844
        inorganic group 19421
          oxo group 18923
            organic oxo compound 18923
              carbonyl compound 18923
                ketone 17271
                  aromatic ketone 12461
                    Iso-16-deethylindanomycin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19893
    subatomic particle 19891
      composite particle 19891
        hadron 19891
          baryon 19891
            nucleon 19891
              atomic nucleus 19891
                atom 19891
                  main group element atom 19830
                    p-block element atom 19830
                      carbon group element atom 19771
                        carbon atom 19767
                          organic molecular entity 19767
                            heteroorganic entity 19525
                              organochalcogen compound 19286
                                organooxygen compound 19202
                                  carbonyl compound 18923
                                    ketone 17271
                                      aromatic ketone 12461
                                        Iso-16-deethylindanomycin 0
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