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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:debromoaplysiatoxin
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Accession:CHEBI:4344 term browser browse the term
Definition:A member of the class of aplysiatoxins that has the structure of the parent aplysiatoxin, but is lacking the bromo substituent on the benzene ring at the position para to the phenolic hydroxy group. It is a cyanotoxin produced by several species of freshwater and marine cyanobacteria, as well as algae and molluscs.
Synonyms:related_synonym: (1S,3R,4S,9R,13S,14R)-13-hydroxy-9-[(1R)-1-hydroxyethyl]-3-[(2S,5S)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1(1,5)]octadecane-7,11-dione;   17-debromoaplysiatoxin;   Formula=C32H48O10;   InChI=1S/C32H48O10/c1-18(11-12-24(38-7)22-9-8-10-23(34)13-22)29-20(3)26-16-32(41-29)30(5,6)15-19(2)31(37,42-32)17-28(36)39-25(21(4)33)14-27(35)40-26/h8-10,13,18-21,24-26,29,33-34,37H,11-12,14-17H2,1-7H3/t18?,19-,20+,21?,24?,25?,26?,29?,31+,32+/m0/s1;   InChIKey=REAZZDPREXHWNV-BUNNSNHRSA-N;   SMILES=[C@@]123O[C@]([C@H](C)CC1(C)C)(CC(O[C@@]([C@@H](C)O)(CC(OC(C2)[C@H](C)[C@](O3)([C@H](CC[C@@H](C=4C=CC=C(C4)O)OC)C)[H])=O)[H])=O)O
 xref: CAS:52423-28-6;   KEGG:C05148;   KNApSAcK:C00046713;   PMID:16222795;   PMID:18585400;   PMID:23803585;   PMID:24394406;   PMID:25421266;   PMID:3924698;   PMID:403608;   PMID:6233970;   PMID:6299522;   PMID:6299973;   PMID:6316505;   PMID:6400920;   PMID:686747;   PMID:7751319;   PMID:8843576;   Reaxys:4624539


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  CHEBI ontology 0
    role 0
      biological role 0
        aetiopathogenetic role 0
          carcinogenic agent 0
            debromoaplysiatoxin 0
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  CHEBI ontology 0
    subatomic particle 0
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          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  ester 0
                                    carboxylic ester 0
                                      lactone 0
                                        macrocyclic lactone 0
                                          macrolide 0
                                            macropolylide 0
                                              macrodiolide 0
                                                aplysiatoxins 0
                                                  debromoaplysiatoxin 0
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