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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:leufolin B
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Accession:CHEBI:66576 term browser browse the term
Definition:A flavanone glycoside that is 6,8,4'-trihydroxyflavanone attached to a 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl moiety at position 4' via a glycosidic linkage. Isolated from Leucas urticifolia, it acts as a cholinesterase inhibitor.
Synonyms:exact_synonym: 4-[(2S)-6,8-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside
 related_synonym: Formula=C30H28O12;   InChI=1S/C30H28O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-26(36)27(37)28(38)30(42-24)40-19-8-4-16(5-9-19)23-13-21(33)20-11-18(32)12-22(34)29(20)41-23/h1-12,23-24,26-28,30-32,34,36-38H,13-14H2/b10-3+/t23-,24+,26+,27-,28+,30+/m0/s1;   InChIKey=QVEGPDNSRBIZKA-QXAKUUBASA-N;   SMILES=O[C@@H]1[C@@H](COC(=O)\\C=C\\c2ccc(O)cc2)O[C@@H](Oc2ccc(cc2)[C@@H]2CC(=O)c3cc(O)cc(O)c3O2)[C@H](O)[C@H]1O;   {6-[4-(6,8-dihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]-3,5-dihydroxytetrahydro-2Hpyran-2-yl}methyl-(E)-3(4-hydroxyphenyl)-2-propenoate
 xref: PMID:17909500;   Reaxys:11126780


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19792
    role 19738
      biological role 19737
        biochemical role 19241
          metabolite 19218
            leufolin B 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19792
    subatomic particle 19788
      composite particle 19788
        hadron 19788
          baryon 19788
            nucleon 19788
              atomic nucleus 19788
                atom 19788
                  main group element atom 19675
                    p-block element atom 19675
                      carbon group element atom 19571
                        carbon atom 19560
                          organic molecular entity 19560
                            organic group 18508
                              organic divalent group 18501
                                organodiyl group 18501
                                  carbonyl group 18404
                                    carbonyl compound 18404
                                      carboxylic acid 18079
                                        monocarboxylic acid 17425
                                          alpha,beta-unsaturated monocarboxylic acid 11377
                                            cinnamic acids 2373
                                              hydroxycinnamic acid 1250
                                                monohydroxycinnamic acid 915
                                                  coumaric acid 30
                                                    4-coumaric acid 30
                                                      trans-4-coumaric acid 0
                                                        leufolin B 0
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