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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:calysolin IV
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Accession:CHEBI:68899 term browser browse the term
Definition:A resin glycoside that is the hexasaccharide derivative of jalapinolic acid. It has been isolated from Calystegia soldanella.
Synonyms:related_synonym: 11S-jalapinolic acid 11-O-beta-D-glucopyranosyl-(1->4)-O-(3-O-tigloyl)-beta-D-glucopyranosyl-(1->3)-O-(2-O-2S-methylbutyryl)-alpha-L-rhamnopyranosyl-(1->2)-[O-beta-D-glucopyranosyl-(1->3)]-O-beta-D-glucopyranosyl-(1->2)-beta-D-quinovopyranoside, intramolecular 1,2''''-ester;   Formula=C62H104O32;   InChI=1S/C62H104O32/c1-8-11-17-20-31-21-18-15-13-12-14-16-19-22-36(67)87-51-44(75)40(71)33(24-64)84-60(51)92-49-41(72)34(25-65)85-62(93-52-43(74)37(68)29(6)80-59(52)82-31)54(49)94-61-53(89-56(79)28(5)10-3)48(38(69)30(7)81-61)91-58-46(77)50(88-55(78)27(4)9-2)47(35(26-66)86-58)90-57-45(76)42(73)39(70)32(23-63)83-57/h9,28-35,37-54,57-66,68-77H,8,10-26H2,1-7H3/b27-9+/t28-,29+,30-,31-,32+,33+,34+,35+,37+,38-,39+,40+,41+,42-,43-,44-,45+,46+,47+,48+,49-,50+,51+,52+,53+,54+,57-,58-,59-,60-,61-,62-/m0/s1;   InChIKey=NOCFVQPNEPRIJG-TYUKJMIASA-N;   SMILES=CCCCC[C@H]1CCCCCCCCCC(=O)O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](C)O[C@H]3O1)[C@@H]2O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](OC(=O)C(\\C)=C\\C)[C@H]2O)[C@H]1OC(=O)[C@@H](C)CC
 xref: PMID:21992192;   Reaxys:22105256


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Path 1
Term Annotations click to browse term
  CHEBI ontology 5164
    role 5131
      biological role 5131
        biochemical role 5054
          metabolite 5042
            calysolin IV 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5164
    subatomic particle 5155
      composite particle 5155
        hadron 5155
          baryon 5155
            nucleon 5155
              atomic nucleus 5155
                atom 5155
                  main group element atom 5127
                    p-block element atom 5124
                      carbon group element atom 5042
                        carbon atom 5041
                          organic molecular entity 5041
                            heteroorganic entity 4885
                              organochalcogen compound 4839
                                organooxygen compound 4803
                                  carbon oxoacid 393
                                    carboxylic acid 389
                                      monocarboxylic acid 228
                                        fatty acid 131
                                          unsaturated fatty acid 10
                                            monounsaturated fatty acid 0
                                              butenoic acid 0
                                                2-butenoic acid 0
                                                  2-methylbut-2-enoic acid 0
                                                    tiglic acid 0
                                                      calysolin IV 0
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