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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:Rugulotrosin B
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Accession:CHEBI:209332 term browser browse the term
Synonyms:exact_synonym: methyl (4R,4aR)-7-[(5R,10aR)-1,5,9-trihydroxy-10a-methoxycarbonyl-3-methyl-8-oxo-6,7-dihydro-5H-xanthen-4-yl]-4,8,9-trihydroxy-6-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate
 related_synonym: Formula=C32H30O14;   InChI=1S/C32H30O14/c1-11-9-15(35)21-26(39)23-13(33)6-8-18(37)32(23,30(42)44-4)46-28(21)20(11)19-12(2)10-16-22(25(19)38)27(40)24-14(34)5-7-17(36)31(24,45-16)29(41)43-3/h9-10,17-18,35-40H,5-8H2,1-4H3/t17-,18-,31+,32+/m1/s1;   InChIKey=ZXYUFJPVTZIRBI-OBXOASMOSA-N;   SMILES=O=C1C2=C(O)C3=C(C(C4=C(O)C=5C(O)=C6C(=O)CC[C@H]([C@]6(C(=O)OC)OC5C=C4C)O)=C(C)C=C3O)O[C@@]2(C(=O)OC)[C@H](O)CC1
 xref: Chemspider:78440350


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Path 1
Term Annotations click to browse term
  CHEBI ontology 26447
    chemical entity 26427
      atom 26423
        nonmetal atom 25687
          oxygen atom 24884
            oxygen molecular entity 24884
              organooxygen compound 24143
                oxacycle 20044
                  dibenzopyran 288
                    xanthenes 282
                      Rugulotrosin B 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26447
    subatomic particle 26423
      composite particle 26423
        hadron 26423
          baryon 26423
            nucleon 26423
              atomic nucleus 26423
                atom 26423
                  main group element atom 26169
                    main group molecular entity 26169
                      p-block molecular entity 26164
                        carbon group molecular entity 25605
                          organic molecular entity 25568
                            organic molecule 25306
                              organic cyclic compound 24354
                                organic heterocyclic compound 22348
                                  organic heteropolycyclic compound 21338
                                    dibenzopyran 288
                                      xanthenes 282
                                        Rugulotrosin B 0
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