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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:spinosic acid A
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Accession:CHEBI:39212 term browser browse the term
Definition:A pentacyclic triterpenoid that has formula C30H48O4.
Synonyms:exact_synonym: 3beta,19beta-dihydroxyolean-12-en-28-oic acid
 related_synonym: Formula=C30H48O4;   InChI=1S/C30H48O4/c1-25(2)14-16-30(24(33)34)17-15-28(6)18(22(30)23(25)32)8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-29(20,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23+,27-,28+,29+,30-/m0/s1;   InChIKey=KFALHTDSQSJCFC-HFYZCPLSSA-N;   SMILES=[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](O)C(C)(C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)CC[C@H](O)C2(C)C;   Spinossaeure
 xref: Beilstein:2229042;   CAS:32205-23-5


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19890
    role 19861
      biological role 19859
        biochemical role 19569
          metabolite 19556
            eukaryotic metabolite 19381
              plant metabolite 18006
                oleanolic acid 132
                  spinosic acid A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19890
    subatomic particle 19888
      composite particle 19888
        hadron 19888
          baryon 19888
            nucleon 19888
              atomic nucleus 19888
                atom 19888
                  main group element atom 19827
                    main group molecular entity 19827
                      s-block molecular entity 19663
                        hydrogen molecular entity 19645
                          hydrides 19157
                            organic hydride 18709
                              organic fundamental parent 18709
                                hydrocarbon 18460
                                  terpene 14087
                                    terpenoid 13787
                                      triterpenoid 1236
                                        pentacyclic triterpenoid 489
                                          oleanolic acid 132
                                            spinosic acid A 0
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