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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:nuatigenin
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Accession:CHEBI:15574 term browser browse the term
Definition:A sapogenin that has formula C27H42O4.
Synonyms:exact_synonym: (22S,25S)-22,25-epoxyfurost-5-ene-3beta,26-diol
 related_synonym: (20S,22S,25S)-22,25-epoxyfurost-5-ene-3beta,26-diol;   Formula=C27H42O4;   InChI=1S/C27H42O4/c1-16-23-22(30-27(16)12-11-24(2,15-28)31-27)14-21-19-6-5-17-13-18(29)7-9-25(17,3)20(19)8-10-26(21,23)4/h5,16,18-23,28-29H,6-15H2,1-4H3/t16-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1;   InChIKey=NELZMZLNTYWIPD-MLBSDYKWSA-N;   SMILES=[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@](C)(CO)O1)O2
 alt_id: CHEBI:10850;   CHEBI:174;   CHEBI:18529;   CHEBI:57419;   CHEBI:7646
 xref: CAS:6811-35-4;   KEGG:C04715;   KNApSAcK:C00003581;   LIPID_MAPS_instance:LMST01090001



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19898
    chemical entity 19896
      molecular entity 19895
        polyatomic entity 19847
          molecule 19739
            cyclic compound 19534
              polycyclic compound 18847
                organic polycyclic compound 17315
                  sapogenin 536
                    nuatigenin 0
                      26-desglucoavenacoside A 0
                      26-desglucoavenacoside B 0
                      avenacoside A + 0
                      avenacoside B + 0
                      nuatigenin 3-beta-D-glucopyranoside 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19898
    subatomic particle 19896
      composite particle 19896
        hadron 19896
          baryon 19896
            nucleon 19896
              atomic nucleus 19896
                atom 19896
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19774
                        carbon atom 19770
                          organic molecular entity 19770
                            organic molecule 19724
                              organic cyclic compound 19516
                                organic polycyclic compound 17315
                                  steroid 14736
                                    hydroxy steroid 14484
                                      3-hydroxy steroid 12820
                                        3beta-hydroxy steroid 2551
                                          3beta-hydroxy-Delta(5)-steroid 2376
                                            nuatigenin 0
                                              26-desglucoavenacoside A 0
                                              26-desglucoavenacoside B 0
                                              avenacoside A + 0
                                              avenacoside B + 0
                                              nuatigenin 3-beta-D-glucopyranoside 0
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