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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''-Caffeoylisoorientin
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Accession:CHEBI:191789 term browser browse the term
Synonyms:exact_synonym: [6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
 related_synonym: Formula=C30H26O14;   InChI=1S/C30H26O14/c31-14-4-1-12(7-16(14)33)2-6-23(37)42-11-22-26(38)28(40)29(41)30(44-22)25-19(36)10-21-24(27(25)39)18(35)9-20(43-21)13-3-5-15(32)17(34)8-13/h1-10,22,26,28-34,36,38-41H,11H2/b6-2+;   InChIKey=AINXWDZMEIYUSK-QHHAFSJGSA-N;   SMILES=O1C(C(O)C(O)C(O)C1COC(=O)/C=C/C2=CC(O)=C(O)C=C2)C3=C(O)C4=C(OC(=CC4=O)C5=CC(O)=C(O)C=C5)C=C3O
 xref: Chemspider:35013521;   HMDB:HMDB0033004

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Term Annotations click to browse term
  CHEBI ontology 2
    chemical entity 2
      atom 2
        nonmetal atom 2
          oxygen atom 1
            oxygen molecular entity 1
              flavonoids 0
                6''-Caffeoylisoorientin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    p-block element atom 2
                      carbon group element atom 2
                        carbon atom 2
                          organic molecular entity 2
                            heteroorganic entity 2
                              organochalcogen compound 1
                                organooxygen compound 0
                                  carbohydrates and carbohydrate derivatives 0
                                    carbohydrate 0
                                      carbohydrate derivative 0
                                        glycosyl compound 0
                                          C-glycosyl compound 0
                                            6''-Caffeoylisoorientin 0
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