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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:22,23-dihydroavermectin B1b
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Accession:CHEBI:63943 term browser browse the term
Definition:A macrocyclic lactone that is avermectin B1b in which the double bond present in the spirocyclic ring system has been reduced to a single bond. It is the minor component of ivermectin.
Synonyms:exact_synonym: (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-6'-(propan-2-yl)-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside
 related_synonym: Formula=C47H72O14;   H2B1b;   InChI=1S/C47H72O14/c1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h11-14,18,24-25,27,29-30,32-44,48-49,51H,15-17,19-23H2,1-10H3/b12-11+,26-14+,31-13+/t25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m0/s1;   InChIKey=VARHUCVRRNANBD-PVVXTEPVSA-N;   SMILES=[H][C@@]12C\\C=C(C)\\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\\C=C\\C=C3/CO[C@]4([H])[C@H](O)C(C)=C[C@@]([H])(C(=O)O[C@@H](C1)C[C@]1(CC[C@H](C)[C@]([H])(O1)C(C)C)O2)[C@]34O;   avermectin H2B1b;   dihydroavermectin B1b;   ivermectin B1b;   ivermectin component b1b
 xref: CAS:70209-81-3;   PMID:6125361;   PMID:6148214;   PMID:6895285;   PMID:6896121;   Reaxys:8183665


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    Path 1
    Term Annotations click to browse term
      CHEBI ontology 19911
        chemical entity 19909
          molecular entity 19880
            polyatomic entity 19862
              molecule 19752
                cyclic compound 19523
                  macrocycle 7869
                    macrocyclic lactone 7587
                      22,23-dihydroavermectin B1b 4237
                        ivermectin 4237
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19911
        subatomic particle 19909
          composite particle 19909
            hadron 19880
              baryon 19880
                nucleon 19909
                  atomic nucleus 19880
                    atom 19909
                      main group element atom 19849
                        p-block element atom 19849
                          carbon group element atom 19766
                            carbon atom 19785
                              organic molecular entity 19785
                                heteroorganic entity 19541
                                  organochalcogen compound 19301
                                    organooxygen compound 19193
                                      ester 17482
                                        carboxylic ester 16746
                                          lactone 13310
                                            macrocyclic lactone 7587
                                              macrolide 7535
                                                avermectin 4243
                                                  avermectin B1b 4241
                                                    22,23-dihydroavermectin B1b 4237
                                                      ivermectin 4237
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