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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:Naquihexcin A
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Accession:CHEBI:210211 term browser browse the term
Synonyms:exact_synonym: (2S,3S,4R)-2-[2-[(1S,3S,4aS,10aR)-4a-[[(1S,3S,4aS,10aR)-9,10a-dihydroxy-3-(2-methoxy-2-oxoethyl)-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-4a-yl]sulanyl]-9,10a-dihydroxy-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]ethoxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
 related_synonym: Formula=C39H40O18S;   InChI=1S/C39H40O18S/c1-16-38(51)32(47)27-20(6-4-8-22(27)40)30(45)36(38,14-18(55-16)10-11-54-35-29(44)24(42)13-25(57-35)34(49)50)58-37-15-19(12-26(43)53-3)56-17(2)39(37,52)33(48)28-21(31(37)46)7-5-9-23(28)41/h4-9,13,16-19,24,29,35,40-42,44,51-52H,10-12,14-15H2,1-3H3,(H,49,50)/t16-,17-,18-,19-,24+,29-,35-,36+,37+,38+,39+/m0/s1;   InChIKey=TUFQKXHDMLHEAD-KMWCMRFGSA-N;   SMILES=S([C@]12C(=O)C3=C(C(O)=CC=C3)C([C@]1(O)[C@@H](O[C@H](C2)CC(=O)OC)C)=O)[C@]45C(=O)C6=C(C(O)=CC=C6)C([C@]4(O)[C@@H](O[C@H](C5)CCO[C@H]7OC(C(=O)O)=C[C@H]([C@@H]7O)O)C)=O
 xref: Chemspider:78437413

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  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          oxygen atom 0
            oxygen molecular entity 0
              organooxygen compound 0
                Naquihexcin A 0
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Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  organic heteropolycyclic compound 0
                                    organic heterotricyclic compound 0
                                      Naquihexcin A 0
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