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ONTOLOGY REPORT - ANNOTATIONS


Term:benzoylaconine
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Accession:CHEBI:132633 term browser browse the term
Definition:A diterpene alkaloid with formula C32H45NO10 that is isolated from several Aconitum species.
Synonyms:exact_synonym: 20-ethyl-3alpha,8,13,15alpha-tetrahydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitan-14alpha-yl benzoate
 related_synonym: (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-20-ethyl-3,8,13,15-tetrahydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate;   14-Benzoylaconine;   14-O-benzoylaconine;   Benzaconine;   Formula=C32H45NO10;   InChI=1S/C32H45NO10/c1-6-33-14-29(15-39-2)18(34)12-19(40-3)31-17-13-30(37)26(43-28(36)16-10-8-7-9-11-16)20(17)32(38,25(35)27(30)42-5)21(24(31)33)22(41-4)23(29)31/h7-11,17-27,34-35,37-38H,6,12-15H2,1-5H3/t17-,18-,19+,20-,21+,22+,23-,24?,25+,26-,27+,29+,30-,31+,32-/m1/s1;   InChIKey=DHJXZSFKLJCHLH-KYSNEVMMSA-N;   Picraconitine;   SMILES=[C@@]123C4[C@@]([C@]5([C@H]([C@@H]([C@]6(C[C@@]1([C@@]5([C@H]6OC(C=7C=CC=CC7)=O)[H])[H])O)OC)O)O)([C@@H]([C@@]2([C@]([C@@H](C[C@@H]3OC)O)(COC)CN4CC)[H])OC)[H];   aconine 14-benzoate;   aconine benzoate
 xref: Beilstein:73066 "ChemIDplus";   CAS:466-24-0 "ChemIDplus";   CAS:466-24-0 "KNApSAcK";   KNApSAcK:C00027683
 xref_mesh: MESH:C047307
 xref: PMID:20862641 "Europe PMC";   PMID:24170571 "Europe PMC";   PMID:24343604 "Europe PMC";   PMID:24793215 "Europe PMC";   PMID:25324527 "Europe PMC";   PMID:25744397 "Europe PMC";   PMID:25907585 "Europe PMC";   PMID:26360128 "Europe PMC";   PMID:26390658 "Europe PMC";   PMID:26896350 "Europe PMC";   PMID:27019554 "Europe PMC";   PMID:27048641 "Europe PMC";   PMID:27183898 "Europe PMC";   PMID:27328130 "Europe PMC";   PMID:27357588 "Europe PMC";   PMID:27761113 "Europe PMC";   Reaxys:15746817 "Reaxys";   Reaxys:20368453 "Reaxys";   Reaxys:73066 "Reaxys"


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benzoylaconine term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Abcb1a ATP binding cassette subfamily B member 1A JBrowse link 4 22,339,829 22,517,642 RGD:6480464
G Abcc2 ATP binding cassette subfamily C member 2 JBrowse link 1 263,554,426 263,612,556 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19669
    role 19613
      biological role 19611
        poison 17833
          toxin 13562
            phytotoxin 3188
              benzoylaconine 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19669
    subatomic particle 19665
      composite particle 19665
        hadron 19665
          baryon 19665
            nucleon 19665
              atomic nucleus 19665
                atom 19665
                  main group element atom 19545
                    p-block element atom 19545
                      carbon group element atom 19428
                        carbon atom 19420
                          organic molecular entity 19420
                            organic group 18343
                              organic divalent group 18334
                                organodiyl group 18334
                                  carbonyl group 18222
                                    carbonyl compound 18222
                                      carboxylic acid 17923
                                        aromatic carboxylic acid 10675
                                          benzoic acids 10639
                                            benzoate ester 3895
                                              benzoylaconine 2
paths to the root

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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.