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eruberin A - Ontology Report - Rat Genome Database

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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:eruberin A
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Accession:CHEBI:140078 term browser browse the term
Definition:An organic heterotetracyclic compound resulting from cyclocondensation of the 4- and 5-hydroxy groups of (2R,4S)-2-(4-methoxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromene-4,5,7-triol across the 1- and 2-positions of beta-D-glucopyranose. It is a natural product extracted from the fern plant, Pronephrium penangianum and exerts antiproliferative and antifibrotic activity.
Synonyms:exact_synonym: (2R,7aS,9R,10S,11S,11aR,12aS)-9-(hydroxymethyl)-2-(4-methoxyphenyl)-4,6-dimethyl-1,9,10,11,11a,12a-hexahydro-2H,7aH-pyrano[2',3':2,3][1,4]dioxepino[5,6,7-de]chromene-5,10,11-triol
 related_synonym: 1,2-O-[3,4-dihydro-7-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-2H-1-benzopyran-5,4-diyl]-beta-D-glucopyranose;   Formula=C24H28O9;   InChI=1S/C24H28O9/c1-10-18(26)11(2)22-17-15(31-23-20(28)19(27)16(9-25)32-24(23)33-22)8-14(30-21(10)17)12-4-6-13(29-3)7-5-12/h4-7,14-16,19-20,23-28H,8-9H2,1-3H3/t14-,15+,16-,19-,20+,23-,24+/m1/s1;   InChIKey=BVWNFYIRLQDZHV-WIGWAHHJSA-N;   SMILES=COC1=CC=C(C=C1)[C@H]1C[C@@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3OC3=C(C)C(O)=C(C)C(O1)=C23
 xref: CAS:90146-68-2;   Chemspider:10270537;   KNApSAcK:C00008978;   LIPID_MAPS_instance:LMPK12020167;   PMID:26279445;   PMID:28210075;   PMID:31950023;   PMID:32140388;   Patent:US20140348965

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  CHEBI ontology 20856
    role 20816
      chemical role 20394
        antioxidant 16461
          eruberin A 0
Path 2
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  CHEBI ontology 20856
    subatomic particle 20854
      composite particle 20854
        hadron 20854
          baryon 20854
            nucleon 20854
              atomic nucleus 20854
                atom 20854
                  main group element atom 20777
                    p-block element atom 20777
                      carbon group element atom 20710
                        carbon atom 20704
                          organic molecular entity 20704
                            heteroorganic entity 20215
                              organochalcogen compound 19902
                                organooxygen compound 19804
                                  carbohydrates and carbohydrate derivatives 15436
                                    carbohydrate 15436
                                      monosaccharide 4901
                                        aldose 3250
                                          aldohexose 2902
                                            glucose 2853
                                              D-glucose 2851
                                                D-glucopyranose 1824
                                                  beta-D-glucose 1668
                                                    eruberin A 0
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