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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 26041
    role 25957
      biological role 25936
        aetiopathogenetic role 24601
          teratogenic agent 18049
            soraphen A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26041
    subatomic particle 26016
      composite particle 26016
        hadron 26016
          baryon 26016
            nucleon 26016
              atomic nucleus 26016
                atom 26016
                  main group element atom 25841
                    p-block element atom 25841
                      carbon group element atom 25441
                        carbon atom 25399
                          organic molecular entity 25399
                            heteroorganic entity 24773
                              organochalcogen compound 24384
                                organooxygen compound 24061
                                  ester 18758
                                    carboxylic ester 17841
                                      lactone 12968
                                        macrocyclic lactone 6094
                                          macrolide 6018
                                            soraphen A 0
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