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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:beta-(4-hydroxyphenyl)ethyl-4-O-E-caffeoyl-O-[beta-D-apiofuranosyl-(1->2)]-beta-D-glucopyranoside
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Accession:CHEBI:68340 term browser browse the term
Definition:A phenylethanoid that is the 4-O-E-caffeoyl-O-[beta-D-apiofuranosyl-(1->2)]-beta-D-glucopyranosyl derivative of 4-(2-hydroxyethyl)phenol. Isolated from Lepisorus contortus, it exhibits inhibitory activities against aromatase and NF-kappaB.
Synonyms:exact_synonym: 2-(4-hydroxyphenyl)ethyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-4-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside
 related_synonym: Formula=C28H34O14;   InChI=1S/C28H34O14/c29-12-20-23(41-21(34)8-4-16-3-7-18(32)19(33)11-16)22(35)24(42-27-25(36)28(37,13-30)14-39-27)26(40-20)38-10-9-15-1-5-17(31)6-2-15/h1-8,11,20,22-27,29-33,35-37H,9-10,12-14H2/b8-4+/t20-,22+,23-,24-,25+,26-,27+,28-/m1/s1;   InChIKey=TXTPNFUSMTWSFE-JCJVHILYSA-N;   SMILES=[H][C@]1(OC[C@](O)(CO)[C@H]1O)O[C@@H]1[C@@H](O)[C@H](OC(=O)\\C=C\\c2ccc(O)c(O)c2)[C@@H](CO)O[C@H]1OCCc1ccc(O)cc1
 xref: PMID:21261296



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  CHEBI ontology 19867
    role 19837
      biological role 19835
        inhibitor 18924
          NF-kappaB inhibitor 2304
            beta-(4-hydroxyphenyl)ethyl-4-O-E-caffeoyl-O-[beta-D-apiofuranosyl-(1->2)]-beta-D-glucopyranoside 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19867
    subatomic particle 19865
      composite particle 19865
        hadron 19865
          baryon 19865
            nucleon 19865
              atomic nucleus 19865
                atom 19865
                  main group element atom 19803
                    p-block element atom 19803
                      carbon group element atom 19744
                        carbon atom 19740
                          organic molecular entity 19740
                            heteroorganic entity 19512
                              organochalcogen compound 19273
                                organooxygen compound 19189
                                  carbohydrates and carbohydrate derivatives 15289
                                    carbohydrate 15289
                                      monosaccharide 4877
                                        aldose 3235
                                          aldohexose 2887
                                            glucose 2840
                                              D-glucose 2838
                                                D-glucopyranose 1815
                                                  beta-D-glucose 1663
                                                    beta-D-glucoside 1471
                                                      beta-(4-hydroxyphenyl)ethyl-4-O-E-caffeoyl-O-[beta-D-apiofuranosyl-(1->2)]-beta-D-glucopyranoside 0
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