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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:LSM-3111
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Accession:CHEBI:92876 term browser browse the term
Definition:A phenylpropanoid that has formula C44H43N3O9.
Synonyms:related_synonym: Formula=C44H43N3O9;   InChI=1S/C44H43N3O9/c1-45-18-16-29-23-37(51-3)39-25-33(29)34(45)20-26-6-13-32(14-7-26)54-38-22-27(8-15-36(38)56-44(48)28-9-11-31(12-10-28)47(49)50)21-35-41-30(17-19-46(35)2)24-40(52-4)42(53-5)43(41)55-39/h6-15,22-25,34-35H,16-21H2,1-5H3/t34-,35+/m0/s1;   InChIKey=PUAVTDKYTXNVBU-OIDHKYIRSA-N;   SMILES=CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC(=O)C8=CC=C(C=C8)[N+](=O)[O-])OC
 xref: LINCS:LSM-3111


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19801
    chemical entity 19800
      group 19707
        polyatomic entity 19706
          molecule 19527
            cyclic compound 19303
              organic cyclic compound 19264
                organic aromatic compound 19082
                  phenylpropanoid 9272
                    LSM-3111 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19801
    subatomic particle 19797
      composite particle 19797
        hadron 19797
          baryon 19797
            nucleon 19797
              atomic nucleus 19797
                atom 19797
                  main group element atom 19684
                    p-block element atom 19684
                      p-block molecular entity 19684
                        carbon group molecular entity 19583
                          organic molecular entity 19572
                            organic molecule 19494
                              organic cyclic compound 19264
                                organic aromatic compound 19082
                                  phenylpropanoid 9272
                                    LSM-3111 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.