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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:yuccalan
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Accession:CHEBI:66499 term browser browse the term
Definition:A spirostanyl glycoside that is (3beta,5alpha,6alpha,25S)-spirostan-3,6,27-triol attached to a 6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl residue via a glycosidic linkage. Isolated from Yucca smalliana, it exhibits antifungal activity.
Synonyms:exact_synonym: (3beta,5alpha,6alpha,25S)-6,27-dihydroxyspirostan-3-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
 related_synonym: 3-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(3beta, 5alpha, 6alpha, 25S)-spirostan-3,6,27-triol;   Formula=C39H64O15;   InChI=1S/C39H64O15/c1-17-28-25(54-39(17)9-4-18(13-40)15-50-39)12-22-20-11-24(42)23-10-19(5-7-37(23,2)21(20)6-8-38(22,28)3)51-36-34(48)32(46)30(44)27(53-36)16-49-35-33(47)31(45)29(43)26(14-41)52-35/h17-36,40-48H,4-16H2,1-3H3/t17-,18-,19-,20+,21-,22-,23+,24-,25-,26+,27+,28-,29+,30+,31-,32-,33+,34+,35+,36+,37+,38-,39+/m0/s1;   InChIKey=ALKMFECERUDLEI-UBXCSCSKSA-N;   SMILES=[H][C@@]1(OC[C@H]2O[C@@]([H])(O[C@H]3CC[C@@]4(C)[C@]([H])(C3)[C@@H](O)C[C@]3([H])[C@]4([H])CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@]5(CC[C@@H](CO)CO5)[C@@H](C)[C@]43[H])[C@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
 xref: PMID:17615670

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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            yuccalan 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbohydrates and carbohydrate derivatives 0
                                    carbohydrate 0
                                      carbohydrate derivative 0
                                        glycosyl compound 0
                                          glycoside 0
                                            saponin 0
                                              steroid saponin 0
                                                spirostanyl glycoside 0
                                                  yuccalan 0
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