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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:abacopterin C
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Accession:CHEBI:65356 term browser browse the term
Definition:An organic heterotetracyclic compound resulting from cyclocondensation of the 4- and 5-hydroxy groups of (2S,4S)-2-(4-methoxyphenyl)-6,8-dimethylchromane-4,5,7-triol across the 1- and 2-positions of 1,2-didehydro-D-glucose. A natural product found in Abacopteris penangiana.
Synonyms:exact_synonym: (2S,7aS,9R,10S,11S,11aR,12aS)-9-(hydroxymethyl)-2-(4-methoxyphenyl)-4,6-dimethyl-1,9,10,11,11a,12a-hexahydro-2H,7aH-pyrano[2',3':2,3][1,4]dioxepino[5,6,7-de]chromene-5,10,11-triol
 related_synonym: Formula=C24H28O9;   InChI=1S/C24H28O9/c1-10-18(26)11(2)22-17-15(31-23-20(28)19(27)16(9-25)32-24(23)33-22)8-14(30-21(10)17)12-4-6-13(29-3)7-5-12/h4-7,14-16,19-20,23-28H,8-9H2,1-3H3/t14-,15-,16+,19+,20-,23+,24-/m0/s1;   InChIKey=BVWNFYIRLQDZHV-QSNPKDTKSA-N;   SMILES=[H][C@@]12C[C@H](Oc3c(C)c(O)c(C)c(O[C@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@]4([H])O1)c23)c1ccc(OC)cc1
 xref: PMID:16499328;   Reaxys:11212419



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Term Annotations click to browse term
  CHEBI ontology 19834
    role 19810
      biological role 19808
        epitope 7032
          beta-D-glucose 1659
            abacopterin C 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    p-block element atom 19782
                      carbon group element atom 19730
                        carbon atom 19727
                          organic molecular entity 19727
                            heteroorganic entity 19484
                              organochalcogen compound 19243
                                organooxygen compound 19158
                                  carbohydrates and carbohydrate derivatives 15276
                                    carbohydrate 15276
                                      monosaccharide 4800
                                        aldose 3216
                                          aldohexose 2867
                                            glucose 2823
                                              D-glucose 2821
                                                D-glucopyranose 1808
                                                  beta-D-glucose 1659
                                                    abacopterin C 0
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