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ONTOLOGY REPORT - ANNOTATIONS


Term:milbemycin A3
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Accession:CHEBI:39228 term browser browse the term
Definition:A milbemycin that has formula C31H44O7.
Synonyms:exact_synonym: (2aE,4E,5'S,6R,6'R,8E,11R,13R,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,6',8,19-pentamethyl-3',4',5',6,6',7,10,11,14,15,17a,20,20a,20b-tetradecahydro-2H,17H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-17-one
 related_synonym: Formula=C31H44O7;   InChI=1S/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6+,19-9+,23-8+/t18-,20-,22+,24+,25-,26-,27+,28+,30-,31+/m0/s1;   InChIKey=ZLBGSRMUSVULIE-GSMJGMFJSA-N;   SMILES=[H][C@@]12C\\C=C(C)\\C[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](C)O1)O2)[C@]34O
 xref: BPDB:903;   Beilstein:4282089 "Beilstein";   CAS:51596-10-2 "ChemIDplus";   CAS:51596-10-2 "KEGG COMPOUND";   KEGG:C18557


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19748
    role 19695
      biological role 19693
        biochemical role 19191
          metabolite 19162
            prokaryotic metabolite 18268
              bacterial metabolite 18268
                milbemycin 4
                  milbemycin A3 0
                    milbemectin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19748
    subatomic particle 19744
      composite particle 19744
        hadron 19744
          baryon 19744
            nucleon 19744
              atomic nucleus 19744
                atom 19744
                  main group element atom 19628
                    p-block element atom 19628
                      carbon group element atom 19522
                        carbon atom 19516
                          organic molecular entity 19516
                            organic group 18426
                              organic divalent group 18418
                                organodiyl group 18418
                                  carbonyl group 18306
                                    carbonyl compound 18306
                                      carboxylic ester 13987
                                        lactone 5869
                                          macrocyclic lactone 1555
                                            macrolide 1496
                                              avermectin analogue 4
                                                milbemycin 4
                                                  milbemycin A3 0
                                                    milbemectin 0
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