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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:4-[[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid
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Accession:CHEBI:127702 term browser browse the term
Definition:A naphthalene that has formula C35H38N4O6.
Synonyms:related_synonym: Formula=C35H38N4O6;   InChI=1S/C35H38N4O6/c1-22-18-39(23(2)21-40)33(41)28-11-7-13-30(37-35(44)36-29-12-6-9-25-8-4-5-10-27(25)29)32(28)45-31(22)20-38(3)19-24-14-16-26(17-15-24)34(42)43/h4-17,22-23,31,40H,18-21H2,1-3H3,(H,42,43)(H2,36,37,44)/t22-,23+,31+/m0/s1;   InChIKey=PVYYJUYRHZFQFU-INEJIFKHSA-N;   SMILES=C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)O[C@@H]1CN(C)CC5=CC=C(C=C5)C(=O)O)[C@H](C)CO
 xref: LINCS:LSM-39259


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Path 1
Term Annotations click to browse term
  CHEBI ontology 22270
    chemical entity 22269
      molecular entity 22262
        polyatomic entity 22091
          molecule 21721
            cyclic compound 21317
              bicyclic compound 18273
                carbobicyclic compound 5951
                  naphthalenes 3885
                    4-[[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22270
    subatomic particle 22263
      composite particle 22242
        hadron 22242
          baryon 22263
            nucleon 22242
              atomic nucleus 22263
                atom 22242
                  main group element atom 22139
                    p-block element atom 22118
                      carbon group element atom 21914
                        carbon atom 21855
                          organic molecular entity 21855
                            organic molecule 21683
                              organic cyclic compound 21316
                                carbocyclic compound 19776
                                  carbopolycyclic compound 17893
                                    carbobicyclic compound 5951
                                      naphthalenes 3885
                                        4-[[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-10-[[(1-naphthalenylamino)-oxomethyl]amino]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzoic acid 0
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