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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:benzoylmesaconine
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Accession:CHEBI:132630 term browser browse the term
Definition:A diterpene alkaloid with formula C31H43NO10 that is isolated from several Aconitum species.
Synonyms:exact_synonym: 3alpha,8,13,15alpha-tetrahydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14alpha-yl benzoate
 related_synonym: (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-3,8,13,15-tetrahydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate;   14-benzoylmesaconine;   Formula=C31H43NO10;   InChI=1S/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16-,17-,18+,19-,20+,21+,22-,23?,24+,25-,26+,28+,29-,30+,31-/m1/s1;   InChIKey=PULWZCUZNRVAHT-IJNXHYLPSA-N;   Mesaconine 14-benzoate;   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)CN4C)[H])OC)[H]
 xref: CAS:63238-67-5
 xref_mesh: MESH:C085283
 xref: PMID:12543043;   PMID:22375424;   PMID:22715726;   PMID:23411001;   PMID:23707213;   PMID:24170571;   PMID:24190290;   PMID:24343604;   PMID:24380294;   PMID:24793215;   PMID:25095352;   PMID:25324527;   PMID:25329869;   PMID:25744397;   PMID:26274911;   PMID:27048641;   PMID:27183898;   PMID:27357588;   PMID:27818926;   PMID:7997462;   PMID:8282271;   PMID:9682963;   PMID:9682964;   Reaxys:23777137;   Reaxys:26721269;   Reaxys:72534

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  CHEBI ontology 2
    role 2
      biological role 2
        pharmacological role 2
          analgesic 0
            benzoylmesaconine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    main group molecular entity 2
                      s-block molecular entity 1
                        hydrogen molecular entity 1
                          hydrides 1
                            organic hydride 0
                              organic fundamental parent 0
                                hydrocarbon 0
                                  terpene 0
                                    terpenoid 0
                                      diterpenoid 0
                                        diterpene alkaloid 0
                                          aconitane 0
                                            benzoylmesaconine 0
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