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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:malonylapiin
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Accession:CHEBI:6664 term browser browse the term
Definition:A glycosyloxyflavone that is the 6''-malanoate ester of apiin.
Synonyms:exact_synonym: 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-(carboxyacetyl)-2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]-beta-D-glucopyranoside
 related_synonym: 6''-Malonylapiin;   7-O-[beta-D-apiosyl-(1->2)-(6-malonyl-beta-D-glucoside)];   Formula=C29H30O17;   InChI=1S/C29H30O17/c30-10-29(40)11-42-28(26(29)39)46-25-24(38)23(37)19(9-41-21(36)8-20(34)35)45-27(25)43-14-5-15(32)22-16(33)7-17(44-18(22)6-14)12-1-3-13(31)4-2-12/h1-7,19,23-28,30-32,37-40H,8-11H2,(H,34,35)/t19-,23-,24+,25-,26+,27-,28+,29-/m1/s1;   InChIKey=JNAHTYWPEQLJRT-CQRLEKJLSA-N;   SMILES=OC[C@@]1(O)CO[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(O)=O)O[C@H]2Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)[C@@H]1O
 xref: AGR:IND43873156;   HMDB:HMDB0037601;   KEGG:C05622;   PMID:18214349;   Reaxys:6627061


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19767
    role 19714
      biological role 19714
        biochemical role 19303
          metabolite 19285
            apigenin 235
              apiin 0
                malonylapiin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19767
    subatomic particle 19766
      composite particle 19766
        hadron 19766
          baryon 19766
            nucleon 19766
              atomic nucleus 19766
                atom 19766
                  main group element atom 19657
                    p-block element atom 19657
                      carbon group element atom 19573
                        carbon atom 19563
                          organic molecular entity 19563
                            heteroorganic entity 19198
                              organochalcogen compound 18945
                                organooxygen compound 18872
                                  carbohydrates and carbohydrate derivatives 12287
                                    carbohydrate 12287
                                      monosaccharide 4251
                                        aldose 2632
                                          aldohexose 2271
                                            glucose 2232
                                              D-glucose 2232
                                                D-glucopyranose 1718
                                                  beta-D-glucose 1606
                                                    beta-D-glucoside 1413
                                                      apiin 0
                                                        malonylapiin 0
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