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ONTOLOGY REPORT - ANNOTATIONS


Term:abacopterin D
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Accession:CHEBI:65357 term browser browse the term
Definition:An organic heterotetracyclic compound that is (2R,3S,4S,4aR,8R,10S,13aS)-3,4,8-trihydroxy-2-(hydroxymethyl)-10-(4-methoxyphenyl)-12-methyl-3,4,4a,9,10,13a-hexahydro-2H,6H,8H-pyrano[3',2':2,3][1,4]dioxepino[6,5-g]chromen-7-ol substituted at position 7 by a beta-D-glucosyl group. A natural product found in Abacopteris penangiana.
Synonyms:exact_synonym: (2R,3S,4S,4aR,8R,10S,13aS)-3,4,8-trihydroxy-2-(hydroxymethyl)-10-(4-methoxyphenyl)-12-methyl-3,4,4a,9,10,13a-hexahydro-2H,6H,8H-pyrano[3',2':2,3][1,4]dioxepino[6,5-g]chromen-7-yl beta-D-glucopyranoside
 related_synonym: Formula=C30H38O15;   InChI=1S/C30H38O15/c1-11-25-14(10-40-28-23(37)21(35)18(9-32)43-30(28)44-25)27(45-29-24(38)22(36)20(34)17(8-31)42-29)19-15(33)7-16(41-26(11)19)12-3-5-13(39-2)6-4-12/h3-6,15-18,20-24,28-38H,7-10H2,1-2H3/t15-,16+,17-,18-,20-,21-,22+,23+,24-,28-,29+,30+/m1/s1;   InChIKey=BNUJOMJNLGIKGM-HLDXYIHRSA-N;   SMILES=[H][C@@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])OCc1c(O2)c(C)c2O[C@@H](C[C@@H](O)c2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(OC)cc1
 xref: PMID:16499328;   Reaxys:15872094


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  CHEBI ontology 19778
    role 19725
      biological role 19724
        epitope 6837
          beta-D-glucose 1596
            abacopterin D 0
Path 2
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  CHEBI ontology 19778
    subatomic particle 19776
      composite particle 19776
        hadron 19776
          baryon 19776
            nucleon 19776
              atomic nucleus 19776
                atom 19776
                  main group element atom 19662
                    p-block element atom 19662
                      carbon group element atom 19556
                        carbon atom 19545
                          organic molecular entity 19545
                            heteroorganic entity 19138
                              organochalcogen compound 18836
                                organooxygen compound 18755
                                  carbohydrates and carbohydrate derivatives 12152
                                    carbohydrate 12152
                                      monosaccharide 4025
                                        aldose 2538
                                          aldohexose 2184
                                            glucose 2145
                                              D-glucose 2145
                                                D-glucopyranose 1707
                                                  beta-D-glucose 1596
                                                    abacopterin D 0
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