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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:N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
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Accession:CHEBI:97189 term browser browse the term
Definition:A furopyran that has formula C24H33N3O5.
Synonyms:related_synonym: Formula=C24H33N3O5;   InChI=1S/C24H33N3O5/c1-26-7-9-27(10-8-26)22(29)13-17-12-19-18-11-16(25-24(30)15-3-2-4-15)5-6-20(18)32-23(19)21(14-28)31-17/h5-6,11,15,17,19,21,23,28H,2-4,7-10,12-14H2,1H3,(H,25,30)/t17-,19-,21-,23+/m0/s1;   InChIKey=SOARVSRWKWCBLL-RAKJYXHLSA-N;   SMILES=CN1CCN(CC1)C(=O)C[C@@H]2C[C@@H]3[C@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)C5CCC5
 xref: LINCS:LSM-8568


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Term Annotations click to browse term
  CHEBI ontology 26041
    chemical entity 26020
      molecular entity 25998
        polyatomic entity 25883
          molecule 25273
            cyclic compound 24282
              homocyclic compound 22049
                carbocyclic compound 22049
                  cyclobutanes 128
                    N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26041
    subatomic particle 26016
      composite particle 26016
        hadron 26016
          baryon 26016
            nucleon 26016
              atomic nucleus 26016
                atom 26016
                  main group element atom 25841
                    p-block element atom 25841
                      carbon group element atom 25441
                        carbon atom 25399
                          organic molecular entity 25399
                            organic molecule 25228
                              organic cyclic compound 24281
                                organic heterocyclic compound 22324
                                  organic heteropolycyclic compound 21329
                                    organic heterobicyclic compound 18582
                                      furopyran 75
                                        N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide 0
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