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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:zaragozic acid C
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Accession:CHEBI:83934 term browser browse the term
Definition:A polyketide isolated from fungi that is a potent inhibitor of fungal and mammalian squalene synthase.
Synonyms:exact_synonym: (1S,3S,4S,5R,6R,7R)-1-[(4R,5R)-4-acetoxy-5-methyl-6-phenylhexyl]-4,7-dihydroxy-6-{[(4E,6R)-6-methyl-9-phenylnon-4-enoyl]oxy}-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
 related_synonym: (+)-Zaragozic acid;   Formula=C40H50O14;   InChI=1S/C40H50O14/c1-25(15-12-20-28-16-6-4-7-17-28)14-10-11-22-31(42)52-33-32(43)38(53-34(35(44)45)39(50,36(46)47)40(33,54-38)37(48)49)23-13-21-30(51-27(3)41)26(2)24-29-18-8-5-9-19-29/h4-10,14,16-19,25-26,30,32-34,43,50H,11-13,15,20-24H2,1-3H3,(H,44,45)(H,46,47)(H,48,49)/b14-10+/t25-,26+,30+,32+,33+,34+,38-,39+,40-/m0/s1;   InChIKey=KQMNJFMTGHRJHM-ZFSXNWTMSA-N;   L-697350;   SMILES=C[C@H](CCCc1ccccc1)\\C=C\\CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
 xref: CAS:146389-62-0;   MetaCyc:CPD-4585;   PMID:11031024;   PMID:14613174;   PMID:15635219;   PMID:16941713;   PMID:19053214;   Reaxys:6839401


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  CHEBI ontology 19810
    role 19758
      application 19420
        food additive 14724
          food acidity regulator 11677
            acetic acid 10809
              acetate ester 3794
                zaragozic acid C 0
Path 2
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  CHEBI ontology 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    p-block element atom 19696
                      carbon group element atom 19599
                        carbon atom 19588
                          organic molecular entity 19588
                            organic group 18527
                              organic divalent group 18520
                                organodiyl group 18520
                                  carbonyl group 18427
                                    carbonyl compound 18427
                                      carboxylic acid 18108
                                        monocarboxylic acid 17475
                                          acetic acid 10809
                                            acetate ester 3794
                                              zaragozic acid C 0
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