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ONTOLOGY REPORT - ANNOTATIONS


Term:monardaein
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Accession:CHEBI:6972 term browser browse the term
Definition:An anthocyanin cation that is pelargonidin in which the hydroxy group at position 3 is substituted by a 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl group and the hydroxy group at position 5 is substituted by a 4,6-bis-O-(carboxyacetyl)-beta-D-glucopyranosyl group.
Synonyms:exact_synonym: 7-hydroxy-2-(4-hydroxyphenyl)-3-({6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}oxy)chromenium-5-yl 4,6-bis-O-(carboxyacetyl)-beta-D-glucopyranoside
 related_synonym: 3-O-(6-O-trans-p-coumaryl-beta-D-glucopyranosyl)-5-O-(4,6-di-O-malonyl-beta-D-glucopyranosyl)pelargonidin;   7-hydroxy-2-(4-hydroxyphenyl)-3-({6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}oxy)-1-benzopyran-1-ium-5-yl 4,6-bis-O-(carboxyacetyl)-beta-D-glucopyranoside;   Formula=C42H41O23;   InChI=1S/C42H40O23/c43-20-6-1-18(2-7-20)3-10-31(50)58-16-27-34(53)35(54)37(56)41(63-27)62-26-13-23-24(60-39(26)19-4-8-21(44)9-5-19)11-22(45)12-25(23)61-42-38(57)36(55)40(65-33(52)15-30(48)49)28(64-42)17-59-32(51)14-29(46)47/h1-13,27-28,34-38,40-42,53-57H,14-17H2,(H4-,43,44,45,46,47,48,49,50)/p+1/t27-,28-,34-,35+,36-,37-,38-,40-,41-,42-/m1/s1;   InChIKey=HOQNHEQPPFYHLF-QBMVVDGVSA-O;   SMILES=[C@H]1(O[C@H](COC(CC(O)=O)=O)[C@@H](OC(=O)CC(=O)O)[C@H](O)[C@H]1O)OC=2C=3C(C=C(O)C2)=[O+]C(=C(O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)COC(/C=C/C5=CC=C(C=C5)O)=O)C3)C6=CC=C(O)C=C6
 xref: AGR:IND20380772;   CAS:73545-87-6;   FooDB:FDB012423;   HMDB:HMDB0034147;   KEGG:C08723;   KNApSAcK:C00006777;   LIPID_MAPS_instance:LMPK12010052


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19770
    role 19717
      biological role 19716
        biochemical role 19207
          metabolite 19182
            eukaryotic metabolite 18798
              plant metabolite 17283
                monardaein 0
Path 2
Term Annotations click to browse term
  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
                            organic molecule 19461
                              organic cyclic compound 19222
                                organic heterocyclic compound 18339
                                  oxacycle 17118
                                    benzopyran 9473
                                      1-benzopyran 9169
                                        chromenes 911
                                          chromene 144
                                            2H-chromene 144
                                              chromenyliums 144
                                                chromenylium 144
                                                  flavylium 144
                                                    anthocyanidin cation 144
                                                      5-hydroxyanthocyanidin 93
                                                        pelargonidin 27
                                                          monardaein 0
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