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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 A
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Accession:CHEBI:66575 term browser browse the term
Definition:A flavanone glycoside that is (S)-naringenin 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)-5,7-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)39-14-24-27(36)28(37)29(38)30(42-24)40-19-8-4-16(5-9-19)22-13-21(34)26-20(33)11-18(32)12-23(26)41-22/h1-12,22,24,27-33,36-38H,13-14H2/b10-3+/t22-,24+,27+,28-,29+,30+/m0/s1;   InChIKey=LBJRQQUCMONTPV-AVNPKAOGSA-N;   SMILES=O[C@@H]1[C@@H](COC(=O)\\C=C\\c2ccc(O)cc2)O[C@@H](Oc2ccc(cc2)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2)[C@H](O)[C@H]1O;   {6-[4-(5,7-dihydroxy-4-oxo-3,4-dihydro-H-chromen-2-yl)phenoxy]-3,4,5-trihydroxytetrahydro-2H-pyran- 2-yl}methyl-(E)-3-(4-hydroxyphenyl)-2-propenoate
 xref: PMID:17909500;   Reaxys:11126779


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19801
    role 19747
      biological role 19746
        biochemical role 19251
          metabolite 19228
            leufolin A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19801
    subatomic particle 19797
      composite particle 19797
        hadron 19797
          baryon 19797
            nucleon 19797
              atomic nucleus 19797
                atom 19797
                  main group element atom 19684
                    p-block element atom 19684
                      carbon group element atom 19583
                        carbon atom 19572
                          organic molecular entity 19572
                            organic group 18520
                              organic divalent group 18513
                                organodiyl group 18513
                                  carbonyl group 18415
                                    carbonyl compound 18415
                                      carboxylic acid 18087
                                        monocarboxylic acid 17427
                                          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 A 0
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