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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,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
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Accession:CHEBI:102288 term browser browse the term
Definition:A furopyran that has formula C27H31N3O7.
Synonyms:related_synonym: Formula=C27H31N3O7;   InChI=1S/C27H31N3O7/c1-29-6-8-30(9-7-29)25(32)13-18-12-20-19-11-17(3-5-21(19)37-26(20)24(14-31)36-18)28-27(33)16-2-4-22-23(10-16)35-15-34-22/h2-5,10-11,18,20,24,26,31H,6-9,12-15H2,1H3,(H,28,33)/t18-,20-,24+,26+/m1/s1;   InChIKey=WXTNJIBEBHTDAA-ODQDCYGBSA-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)C5=CC6=C(C=C5)OCO6
 xref: LINCS:LSM-13641

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  CHEBI ontology 2
    chemical entity 2
      atom 2
        nonmetal atom 2
          oxygen atom 1
            oxygen molecular entity 1
              organooxygen compound 0
                oxacycle 0
                  furopyran 0
                    N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    p-block element atom 2
                      carbon group element atom 2
                        carbon atom 2
                          organic molecular entity 2
                            organic molecule 2
                              organic cyclic compound 2
                                organic heterocyclic compound 2
                                  organic heteropolycyclic compound 0
                                    organic heterobicyclic compound 0
                                      furopyran 0
                                        N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide 0
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