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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:2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol
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Accession:CHEBI:79678 term browser browse the term
Definition:A member of the class of chromenes that is 2H-1-benzopyran substituted by methyl groups at positions 2 and 2, an ethyl group at position 4, a hydroxy group at position 7, a 1-pyrrolidinylmethyl group at position 6 and a 4-methoxyphenyl group at position 3 respectively.
Synonyms:exact_synonym: 4-ethyl-3-(4-methoxyphenyl)-2,2-dimethyl-6-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-7-ol
 related_synonym: Formula=C25H31NO3;   InChI=1S/C25H31NO3/c1-5-20-21-14-18(16-26-12-6-7-13-26)22(27)15-23(21)29-25(2,3)24(20)17-8-10-19(28-4)11-9-17/h8-11,14-15,27H,5-7,12-13,16H2,1-4H3;   InChIKey=KVMDJZAOBOVORV-UHFFFAOYSA-N;   SMILES=CCC1=C(c2ccc(OC)cc2)C(C)(C)Oc2cc(O)c(CN3CCCC3)cc12
 xref: KEGG:C15160


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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        polyatomic entity 0
          heteroatomic molecular entity 0
            hydroxides 0
              organic hydroxy compound 0
                phenols 0
                  2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol 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
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  oxacycle 0
                                    benzopyran 0
                                      1-benzopyran 0
                                        chromenes 0
                                          2,2-dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol 0
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