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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:Pedunculagin II (Digalloyl-HHDP-hex)
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Accession:CHEBI:167703 term browser browse the term
Synonyms:exact_synonym: [3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-13-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate
 related_synonym: Formula=C34H26O22;   InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(48)55-29-27(47)34(56-31(49)9-3-14(37)22(42)15(38)4-9)53-18-7-52-32(50)10-5-16(39)23(43)25(45)19(10)20-11(33(51)54-28(18)29)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-47H,7H2;   InChIKey=NLDMNSXOCDLTTB-UHFFFAOYSA-N;   SMILES=O=C1OC2C(OC(=O)C3=CC(O)=C(O)C(=C3)O)C(O)C(OC(=O)C4=CC(O)=C(O)C(=C4)O)OC2COC(C=5C(C6=C1C=C(O)C(=C6O)O)=C(O)C(O)=C(O)C5)=O
 xref: Chemspider:413780;   HMDB:HMDB0039264


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      application 19630
        pharmaceutical 19503
          drug 19471
            astringent 11021
              tannin 302
                Pedunculagin II (Digalloyl-HHDP-hex) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            organic molecule 19658
                              organic cyclic compound 19471
                                organic aromatic compound 19341
                                  phenols 18609
                                    polyphenol 9418
                                      tannin 302
                                        Pedunculagin II (Digalloyl-HHDP-hex) 0
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