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ONTOLOGY REPORT - ANNOTATIONS


Term:3-carboxy-1-[(3-carboxy-2-oxido-1-naphthalenyl)methyl]-2-naphthalenolate 2-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethyl]-N,N,1-trimethyl-6-quinolin-1-iumamine hydrate
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Accession:CHEBI:95360 term browser browse the term
Definition:A naphthoic acid that has formula C75H76N6O7.
Synonyms:related_synonym: Formula=C75H76N6O7;   InChI=1S/2C26H30N3.C23H16O6.H2O/c2*1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5;24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;/h2*6-10,12,14-18H,11,13H2,1-5H3;1-10,24-25H,11H2,(H,26,27)(H,28,29);1H2/q2*+1;;/p-2;   InChIKey=ZUTOEUQXOJGDCJ-UHFFFAOYSA-L;   SMILES=CC1=CC(=C(N1C2=CC=CC=C2)C)CCC3=[N+](C4=C(C=C3)C=C(C=C4)N(C)C)C.CC1=CC(=C(N1C2=CC=CC=C2)C)CCC3=[N+](C4=C(C=C3)C=C(C=C4)N(C)C)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)[O-])[O-])C(=O)O.O
 xref: LINCS:LSM-6739


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  CHEBI ontology 19654
    chemical entity 19652
      molecular entity 19649
        polyatomic entity 19567
          molecule 19363
            cyclic compound 19116
              bicyclic compound 16049
                carbobicyclic compound 4527
                  naphthalenes 3721
                    naphthoic acid 43
                      3-carboxy-1-[(3-carboxy-2-oxido-1-naphthalenyl)methyl]-2-naphthalenolate 2-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethyl]-N,N,1-trimethyl-6-quinolin-1-iumamine hydrate 0
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Term Annotations click to browse term
  CHEBI ontology 19654
    subatomic particle 19650
      composite particle 19650
        hadron 19650
          baryon 19650
            nucleon 19650
              atomic nucleus 19650
                atom 19650
                  main group element atom 19531
                    p-block element atom 19531
                      carbon group element atom 19413
                        carbon atom 19405
                          organic molecular entity 19405
                            organic group 18331
                              organic divalent group 18321
                                organodiyl group 18321
                                  carbonyl group 18209
                                    carbonyl compound 18209
                                      carboxylic acid 17908
                                        aromatic carboxylic acid 10698
                                          naphthoic acid 43
                                            3-carboxy-1-[(3-carboxy-2-oxido-1-naphthalenyl)methyl]-2-naphthalenolate 2-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethyl]-N,N,1-trimethyl-6-quinolin-1-iumamine hydrate 0
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