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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:ML-236C
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Accession:CHEBI:34828 term browser browse the term
Definition:A delta-lactone that has formula C18H26O3.
Synonyms:exact_synonym: (4R,6R)-4-hydroxy-6-{2-[(1S,2S,8aR)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl}tetrahydro-2H-pyran-2-one
 related_synonym: (4R,6R)-4-hydroxy-6-{2-[(1S,2S,8aR)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl}oxan-2-one;   Antibiotic ML 236C;   Formula=C18H26O3;   InChI=1S/C18H26O3/c1-12-6-7-13-4-2-3-5-17(13)16(12)9-8-15-10-14(19)11-18(20)21-15/h4,6-7,12,14-17,19H,2-3,5,8-11H2,1H3/t12-,14+,15+,16-,17-/m0/s1;   InChIKey=NXIASLUNMKAUTN-WFKFIOEPSA-N;   SMILES=C1CC=C2[C@](C1)([C@H]([C@H](C=C2)C)CC[C@H]3OC(C[C@@H](C3)O)=O)[H]
 xref: CAS:58889-18-2;   KEGG:C14043;   KNApSAcK:C00018117;   PMID:1010803;   PMID:7726991;   Reaxys:1588586



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Term Annotations click to browse term
  CHEBI ontology 19898
    role 19869
      biological role 19867
        antimicrobial agent 18275
          ML-236C 0
            compactin diol lactone 0
Path 2
Term Annotations click to browse term
  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 19770
                          organic molecular entity 19770
                            heteroorganic entity 19535
                              organochalcogen compound 19296
                                organooxygen compound 19213
                                  ester 17485
                                    carboxylic ester 16770
                                      lactone 13312
                                        delta-lactone 4213
                                          2-pyranones 772
                                            ML-236C 0
                                              compactin diol lactone 0
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