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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:6-deoxy-13-hydroxy-8,11-dionedihydrogranaticin B
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Accession:CHEBI:197887 term browser browse the term
Synonyms:exact_synonym: 2-[(1R,7S,9R,16R,18R,19R)-1,5-dihydroxy-19-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-7,18-dimethyl-3,14-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),4(13),5,11-tetraen-9-yl]acetic acid
 related_synonym: Formula=C28H32O11;   InChI=1S/C28H32O11/c1-10-16(29)4-5-20(37-10)39-18-9-17-23-24(28(18,35)12(3)38-17)27(34)22-15(25(23)32)7-13-6-14(8-19(30)31)36-11(2)21(13)26(22)33/h7,10-12,14,16-18,20,29,33,35H,4-6,8-9H2,1-3H3,(H,30,31)/t10-,11-,12+,14+,16-,17+,18+,20-,28+/m0/s1;   InChIKey=ZJPBUJSZARGKRN-RZLQFGFSSA-N;   SMILES=O=C1C2=C(O)C3=C(C[C@H](CC(=O)O)O[C@H]3C)C=C2C(=O)C4=C1[C@]5(O)[C@H](O[C@@H]6O[C@H]([C@@H](O)CC6)C)C[C@H]4O[C@@H]5C
 xref: Chemspider:78436293


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19848
    chemical entity 19846
      molecular entity 19846
        polyatomic entity 19803
          molecule 19705
            cyclic compound 19519
              homocyclic compound 18588
                carbocyclic compound 18588
                  carbopolycyclic compound 17183
                    carbotricyclic compound 1512
                      anthracenes 586
                        anthraquinone 518
                          6-deoxy-13-hydroxy-8,11-dionedihydrogranaticin B 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19848
    subatomic particle 19846
      composite particle 19846
        hadron 19846
          baryon 19846
            nucleon 19846
              atomic nucleus 19846
                atom 19846
                  main group element atom 19796
                    p-block element atom 19796
                      carbon group element atom 19741
                        carbon atom 19737
                          organic molecular entity 19737
                            heteroorganic entity 19495
                              organochalcogen compound 19257
                                organooxygen compound 19175
                                  carbonyl compound 18897
                                    ketone 17185
                                      cyclic ketone 15701
                                        quinone 8648
                                          acenoquinone 7723
                                            anthraquinone 518
                                              6-deoxy-13-hydroxy-8,11-dionedihydrogranaticin B 0
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