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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:17-hydroxymethyl-17-demethoxygeldanamycin
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Accession:CHEBI:219759 term browser browse the term
Synonyms:exact_synonym: [(4Z,6Z,8S,9S,10Z,12S,13R,14S,16R)-13-hydroxy-19-(hydroxymethyl)-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate
 related_synonym: Formula=C29H40N2O9;   InChI=1S/C29H40N2O9/c1-15-10-19-20(14-32)22(33)13-21(26(19)35)31-28(36)16(2)8-7-9-23(38-5)27(40-29(30)37)18(4)12-17(3)25(34)24(11-15)39-6/h7-9,12-13,15,17,23-25,27,32,34H,10-11,14H2,1-6H3,(H2,30,37)(H,31,36)/b9-7-,16-8-,18-12-/t15-,17+,23+,24+,25-,27+/m1/s1;   InChIKey=ARMYBYURPGCOIX-GCJLKVIVSA-N;   SMILES=O=C1NC=2C(=O)C(=C(CO)C(C2)=O)C[C@H](C[C@H](OC)[C@H](O)[C@H](C=C([C@@H]([C@H](C=CC=C1C)OC)OC(=O)N)C)C)C
 xref: Chemspider:78442654


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  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        polyatomic entity 0
          heteroatomic molecular entity 0
            oxoacid derivative 0
              imidic acid 0
                carboximidic acid 0
                  17-hydroxymethyl-17-demethoxygeldanamycin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      chalcogen 0
                        oxygen atom 0
                          oxygen molecular entity 0
                            hydroxides 0
                              oxoacid 0
                                oxoacid derivative 0
                                  imidic acid 0
                                    carboximidic acid 0
                                      17-hydroxymethyl-17-demethoxygeldanamycin 0
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