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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:malvin
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Accession:CHEBI:75030 term browser browse the term
Definition:An anthocyanin cation that is malvidin carrying two beta-D-glucosyl residues at positions 3 and 5.
Synonyms:exact_synonym: 3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenium-5-yl beta-D-glucopyranoside
 related_synonym: Formula=C29H35O17;   InChI=1S/C29H34O17/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(44-29-26(39)24(37)22(35)19(9-31)46-29)7-12-13(42-27)5-11(32)6-14(12)43-28-25(38)23(36)21(34)18(8-30)45-28/h3-7,18-19,21-26,28-31,34-39H,8-9H2,1-2H3,(H-,32,33)/p+1/t18-,19-,21-,22-,23+,24+,25-,26-,28-,29-/m1/s1;   InChIKey=CILLXFBAACIQNS-BTXJZROQSA-O;   Malvidin-3,5-diglucoside;   Malvoside;   SMILES=COc1cc(cc(OC)c1O)-c1[o+]c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
 alt_id: CHEBI:6675
 xref: AGR:IND21634962;   AGR:IND21634965;   AGR:IND21634968;   AGR:IND44599805;   CAS:16727-30-3;   HMDB:HMDB0038009;   KEGG:C08718;   KNApSAcK:C00002384
 xref_mesh: MESH:C502603
 xref: PMID:11087514;   PMID:15708519;   Reaxys:1678476;   Wikipedia:Malvin


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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            malvin 0
Path 2
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  oxacycle 0
                                    benzopyran 0
                                      1-benzopyran 0
                                        chromenes 0
                                          chromene 0
                                            2H-chromene 0
                                              chromenyliums 0
                                                chromenylium 0
                                                  flavylium 0
                                                    anthocyanidin cation 0
                                                      5-hydroxyanthocyanidin 0
                                                        delphinidin 0
                                                          malvidin 0
                                                            malvin 0
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