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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:Neocuscutoside C
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Accession:CHEBI:169147 term browser browse the term
Synonyms:exact_synonym: 2-[[6-[[6-[3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrouro[3,4-c]uran-6-yl]-1,3-benzodioxol-5-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
 related_synonym: Formula=C32H38O17;   InChI=1S/C32H38O17/c33-6-21-23(34)25(36)27(38)31(48-21)42-9-22-24(35)26(37)28(39)32(49-22)47-17-5-20-19(45-11-46-20)4-13(17)30-15-8-40-29(14(15)7-41-30)12-1-2-16-18(3-12)44-10-43-16/h1-5,14-15,21-39H,6-11H2;   InChIKey=YIGQNWGFLQZODP-UHFFFAOYSA-N;   SMILES=O1C(C2C(C(OC2)C3=CC=4OCOC4C=C3)C1)C=5C(OC6OC(C(O)C(O)C6O)COC7OC(C(O)C(O)C7O)CO)=CC=8OCOC8C5
 xref: HMDB:HMDB0041599


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19838
    chemical entity 19836
      group 19795
        polyatomic entity 19794
          molecule 19699
            cyclic compound 19514
              aromatic compound 19366
                organic aromatic compound 19366
                  phenylpropanoid 11282
                    lignan 1703
                      Neocuscutoside C 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19838
    subatomic particle 19836
      composite particle 19836
        hadron 19836
          baryon 19836
            nucleon 19836
              atomic nucleus 19836
                atom 19836
                  main group element atom 19786
                    p-block element atom 19786
                      carbon group element atom 19734
                        carbon atom 19731
                          organic molecular entity 19731
                            heteroorganic entity 19488
                              organochalcogen compound 19251
                                organooxygen compound 19168
                                  carbohydrates and carbohydrate derivatives 15283
                                    carbohydrate 15283
                                      carbohydrate derivative 14289
                                        glycosyl compound 13048
                                          glycoside 11831
                                            Neocuscutoside C 0
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