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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:soraphen A
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Accession:CHEBI:9200 term browser browse the term
Definition:A macrolide and an agent highly effective against plant-pathogenic fungi. It was extensively researched for agricultural use until it was discovered to be a teratogen.
Synonyms:exact_synonym: (1R,2S,5S,10S,11R,12E,14S,15S,16S,17S,18R)-1,17-dihydroxy-10,11,18-trimethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo[13.3.1]nonadec-12-en-3-one
 related_synonym: Formula=C29H44O8;   InChI=1S/C29H44O8/c1-18-16-17-24(34-5)23(33-4)15-11-10-14-22(21-12-8-7-9-13-21)36-28(31)20(3)29(32)27(35-6)25(30)19(2)26(18)37-29/h7-9,12-13,16-20,22-27,30,32H,10-11,14-15H2,1-6H3/b17-16+/t18-,19-,20+,22-,23-,24+,25-,26-,27+,29+/m0/s1;   InChIKey=WPMGNXPRKGXGBO-OFQQMTDKSA-N;   SMILES=CO[C@@H]1[C@@H](O)[C@H](C)[C@H]2O[C@]1(O)[C@H](C)C(=O)O[C@@H](CCCC[C@H](OC)[C@H](OC)\\C=C\\[C@@H]2C)c1ccccc1
 alt_id: CHEBI:45464
 xref: CAS:122547-72-2;   DrugBank:DB02859;   KEGG:C11300;   KNApSAcK:C00016927;   PDBeChem:S1A;   PMID:12039053;   PMID:12841240;   PMID:15003686;   PMID:15289572;   PMID:15610732;   PMID:16233626;   PMID:16774258;   PMID:17076505;   PMID:19554583;   PMID:21184748;   PMID:7601830;   PMID:7916271;   PMID:9871120;   Patent:EP0658622;   Patent:US5641666;   Patent:US6153374;   Reaxys:6622323


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19875
    role 19825
      biological role 19825
        aetiopathogenetic role 19006
          teratogenic agent 15906
            soraphen A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19875
    subatomic particle 19873
      composite particle 19873
        hadron 19873
          baryon 19873
            nucleon 19873
              atomic nucleus 19873
                atom 19873
                  main group element atom 19763
                    p-block element atom 19763
                      carbon group element atom 19668
                        carbon atom 19657
                          organic molecular entity 19657
                            organic group 18569
                              organic divalent group 18560
                                organodiyl group 18560
                                  carbonyl group 18468
                                    carbonyl compound 18468
                                      carboxylic ester 14383
                                        lactone 6001
                                          macrocyclic lactone 1743
                                            macrolide 1612
                                              soraphen A 0
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