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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:esculeogenin A
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Accession:CHEBI:71676 term browser browse the term
Definition:A sapogenin that is spirosolane substituted by hydroxy groups at positions 3, 23 and 27 (the 3beta,5alpha,22alpha,23S,25S stereoisomer).
Synonyms:exact_synonym: (3beta,5alpha,22alpha,23S,25S)-spirosolane-3,23,27-triol
 related_synonym: Formula=C27H45NO4;   InChI=1S/C27H45NO4/c1-15-24-22(32-27(15)23(31)10-16(14-29)13-28-27)12-21-19-5-4-17-11-18(30)6-8-25(17,2)20(19)7-9-26(21,24)3/h15-24,28-31H,4-14H2,1-3H3/t15-,16-,17-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1;   InChIKey=FBKQAVWTYDQPAB-HBDLFPIVSA-N;   SMILES=[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@@]5(NC[C@@H](CO)C[C@@H]5O)[C@@H](C)[C@]43[H])[C@@]1(C)CC[C@H](O)C2
 xref: PMID:17872457;   PMID:18591823;   PMID:20853874;   PMID:21395308;   PMID:22223387;   PMID:22224814;   Reaxys:9826338


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19767
    role 19714
      biological role 19714
        biochemical role 19303
          metabolite 19285
            esculeogenin A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19767
    subatomic particle 19766
      composite particle 19766
        hadron 19766
          baryon 19766
            nucleon 19766
              atomic nucleus 19766
                atom 19766
                  main group element atom 19657
                    p-block element atom 19657
                      carbon group element atom 19573
                        carbon atom 19563
                          organic molecular entity 19563
                            organic molecule 19496
                              organic cyclic compound 19322
                                organic polycyclic compound 16514
                                  steroid 13054
                                    hydroxy steroid 12652
                                      3-hydroxy steroid 10360
                                        3beta-hydroxy steroid 2007
                                          esculeogenin A 0
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