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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:(-)-bursehernin
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Accession:CHEBI:90893 term browser browse the term
Definition:A butan-4-olide that is (−)-pluviatolide in which the phenolic hydroxy group has been converted to the corresponding methyl ether.
Synonyms:related_synonym: (3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxybenzyl)dihydrofuran-2(3H)-one;   (3R-trans)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]dihydro-2(3H)-furanone;   (R,R)-4-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxybenzyl)dihydrofuran-2(3H)-one
 xref: CAS:40456-51-7;   CBA:464313;   KNApSAcK:C00036847
 xref_mesh: MESH:C023816
 xref: Reaxys:3596448;   metacyc.compound:CPD-17599;   pubmed:10230514;   pubmed:14987061;   pubmed:18680297;   pubmed:19329133;   pubmed:24242108;   pubmed:26130043;   pubmed:26359402;   pubmed:7843329
 chemrof_formula: C21H22O6
 chemrof_smiles: COc1ccc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc1OC
 chemrof_inchikey: IYBDDRJHJMFFBB-JKSUJKDBSA-N
 chemrof_inchi: InChI=1S/C21H22O6/c1-23-17-5-3-14(9-19(17)24-2)8-16-15(11-25-21(16)22)7-13-4-6-18-20(10-13)27-12-26-18/h3-6,9-10,15-16H,7-8,11-12H2,1-2H3/t15-,16+/m0/s1
 cyclic_relationship: has_functional_parent CHEBI:90896


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(-)-bursehernin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Esr1 estrogen receptor 1 affects binding ISO bursehernin binds to ESR1 protein CTD PMID:35631411 NCBI chr 1:43,511,685...43,904,454
Ensembl chr 1:43,644,392...43,900,354 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20874
    role 20844
      biological role 20831
        biochemical role 19888
          metabolite 19624
            eukaryotic metabolite 19368
              plant metabolite 16205
                (-)-bursehernin 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 20874
    subatomic particle 20883
      composite particle 20883
        hadron 20872
          baryon 20883
            nucleon 20872
              atomic nucleus 20883
                atom 20872
                  main group element atom 20796
                    p-block element atom 20796
                      carbon group element atom 20712
                        carbon atom 20706
                          organic molecular entity 20706
                            heteroorganic entity 20201
                              organochalcogen compound 19822
                                organooxygen compound 19713
                                  ester 17841
                                    carboxylic ester 17347
                                      lactone 13231
                                        gamma-lactone 6873
                                          butan-4-olide 310
                                            (-)-bursehernin 1
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