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ONTOLOGY REPORT - ANNOTATIONS


Term:abacopterin B
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Accession:CHEBI:65355 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 3-O-acetyl-1,2-didehydro-D-glucose. A natural product found in Abacopteris penangiana.
Synonyms:exact_synonym: (2S,7aS,9R,10R,11S,11aR,12aS)-5,10-dihydroxy-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]chromen-11-yl acetate
 related_synonym: Formula=C26H30O10;   InChI=1S/C26H30O10/c1-11-20(29)12(2)23-19-17(9-16(33-22(11)19)14-5-7-15(31-4)8-6-14)34-25-24(32-13(3)28)21(30)18(10-27)35-26(25)36-23/h5-8,16-18,21,24-27,29-30H,9-10H2,1-4H3/t16-,17-,18+,21+,24-,25+,26-/m0/s1;   InChIKey=RILIBNNLUUUUJS-ZVTAQKPHSA-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](OC(C)=O)[C@@]4([H])O1)c23)c1ccc(OC)cc1
 xref: PMID:16499328;   Reaxys:15872092


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  CHEBI ontology 19770
    role 19717
      biological role 19716
        epitope 6833
          beta-D-glucose 1594
            abacopterin B 0
Path 2
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  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19655
                    p-block element atom 19655
                      carbon group element atom 19548
                        carbon atom 19537
                          organic molecular entity 19537
                            heteroorganic entity 19129
                              organochalcogen compound 18828
                                organooxygen compound 18747
                                  carbohydrates and carbohydrate derivatives 12146
                                    carbohydrate 12146
                                      monosaccharide 4019
                                        aldose 2534
                                          aldohexose 2180
                                            glucose 2141
                                              D-glucose 2141
                                                D-glucopyranose 1703
                                                  beta-D-glucose 1594
                                                    abacopterin B 0
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