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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:Protorubradirin
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Accession:CHEBI:200143 term browser browse the term
Synonyms:exact_synonym: [(10Z)-7,14-dihydroxy-6,10,12,16-tetramethyl-2,9,15,21-tetraoxo-20-oxa-18-azatetracyclo[14.3.1.14,19.03,8]henicosa-1(19),3,5,7,10-pentaen-13-yl] 3-hydroxy-6-[(4-hydroxy-7-methoxy-2-oxochromen-3-yl)carbamoyl]-4-(5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl)oxypyridine-2-carboxylate
 related_synonym: Formula=C48H46N4O20;   InChI=1S/C48H46N4O20/c1-17-11-19(3)40(39(59)42(60)48(6)16-49-30-36(56)23-12-18(2)34(54)29(33(17)53)28(23)38(58)41(30)72-48)71-46(63)32-37(57)26(69-27-15-47(5,52(64)65)43(67-8)20(4)68-27)14-24(50-32)44(61)51-31-35(55)22-10-9-21(66-7)13-25(22)70-45(31)62/h9-14,19-20,27,39-40,43,49,54-55,57,59H,15-16H2,1-8H3,(H,51,61)/b17-11-;   InChIKey=GBZJIWQNTNUYGZ-BOPFTXTBSA-N;   SMILES=O=[N+]([O-])C1(C(OC)C(OC(C1)OC2=C(O)C(=NC(=C2)C(=O)NC=3C(=O)OC=4C=C(OC)C=CC4C3O)C(=O)OC5C(O)C(=O)C6(OC7=C(C(=O)C8=C(C(C(C(=CC5C)C)=O)=C(O)C(=C8)C)C7=O)NC6)C)C)C
 xref: Chemspider:78443940

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Term Annotations click to browse term
  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        polyatomic entity 0
          molecule 0
            cyclic compound 0
              aromatic compound 0
                organic aromatic compound 0
                  phenylpropanoid 0
                    coumarins 0
                      hydroxycoumarin 0
                        Protorubradirin 0
Path 2
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
                                  oxacycle 0
                                    benzopyran 0
                                      1-benzopyran 0
                                        chromenes 0
                                          chromenone 0
                                            coumarins 0
                                              hydroxycoumarin 0
                                                Protorubradirin 0
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