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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:Dermocanarin 3
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Accession:CHEBI:199838 term browser browse the term
Synonyms:exact_synonym: 10-(13,21-dihydroxy-5,7,29-trimethoxy-13,23-dimethyl-3,15,19,26-tetraoxo-16-oxahexacyclo[15.12.0.02,11.04,9.018,27.020,25]nonacosa-1(29),2(11),4(9),5,7,17,20(25),21,23,27-decaen-10-yl)-13,21-dihydroxy-5,7,29-trimethoxy-13,23-dimethyl-16-oxahexacyclo[15.12.0.02,11.04,9.018,27.020,25]nonacosa-1(29),2(11),4(9),5,7,17,20(25),21,23,27-decaene-3,15,19,26-tetrone
 related_synonym: Formula=C66H54O20;   InChI=1S/C66H54O20/c1-25-11-31-47(37(67)13-25)59(73)53-33(57(31)71)19-41(83-9)55-51-35(21-65(3,77)23-43(69)85-63(53)55)45(29-15-27(79-5)17-39(81-7)49(29)61(51)75)46-30-16-28(80-6)18-40(82-8)50(30)62(76)52-36(46)22-66(4,78)24-44(70)86-64-54-34(20-42(84-10)56(52)64)58(72)32-12-26(2)14-38(68)48(32)60(54)74/h11-20,45-46,67-68,77-78H,21-24H2,1-10H3;   InChIKey=XSMJOWAYUATXHH-UHFFFAOYSA-N;   SMILES=O=C1OC2=C(C=3C(=O)C=4C(OC)=CC(=CC4C(C3CC(C1)(O)C)C5C6=C(C(=O)C7=C5CC(O)(CC(=O)OC8=C7C(OC)=CC9=C8C(=O)C%10=C(O)C=C(C)C=C%10C9=O)C)C(OC)=CC(=C6)OC)OC)C(OC)=CC%11=C2C(=O)C%12=C(O)C=C(C)C=C%12C%11=O
 xref: Chemspider:17298975


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  CHEBI ontology 19915
    chemical entity 19913
      molecular entity 19913
        polyatomic entity 19847
          molecule 19755
            cyclic compound 19547
              homocyclic compound 18589
                carbocyclic compound 18607
                  carbopolycyclic compound 17189
                    carbotricyclic compound 1561
                      anthracenes 586
                        anthraquinone 518
                          Dermocanarin 3 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19915
    subatomic particle 19913
      composite particle 19895
        hadron 19895
          baryon 19913
            nucleon 19895
              atomic nucleus 19913
                atom 19895
                  main group element atom 19852
                    p-block element atom 19834
                      carbon group element atom 19774
                        carbon atom 19770
                          organic molecular entity 19770
                            heteroorganic entity 19542
                              organochalcogen compound 19302
                                organooxygen compound 19218
                                  carbonyl compound 18920
                                    ketone 17270
                                      cyclic ketone 15906
                                        quinone 9899
                                          acenoquinone 7722
                                            anthraquinone 518
                                              Dermocanarin 3 0
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