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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:\{[6-(\{5-[(6-\{[(2-carboxyacetyl)oxy]methyl\}-3,4,5-trihydroxyoxan-2-yl)oxy]-7-hydroxy-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-2H-chromen-3-yl\}oxy)-3,4-dihydroxy-5-\{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy\}oxan-2-yl]methyl\}[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]oxidanium
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Accession:CHEBI:185161 term browser browse the term
Synonyms:exact_synonym: 3-[[6-[3-[4,5-dihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxy-2-(4-hydroxyphenyl)chromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
 related_synonym: Formula=C45H49O25;   InChI=1S/C45H48O25/c46-15-27-33(54)36(57)40(61)44(67-27)70-42-38(59)35(56)29(16-62-31(52)10-3-18-1-6-20(47)7-2-18)69-45(42)66-26-13-23-24(64-41(26)19-4-8-21(48)9-5-19)11-22(49)12-25(23)65-43-39(60)37(58)34(55)28(68-43)17-63-32(53)14-30(50)51/h1-13,27-29,33-40,42-46,54-61H,14-17H2,(H3-,47,48,49,50,51,52)/p+1;   InChIKey=MEMCAMOQDXSLTL-UHFFFAOYSA-O;   SMILES=O(C1C(O)C(O)C(OC1OC=2C=C3C(OC4OC(C(O)C(O)C4O)COC(=O)CC(O)=O)=CC(O)=CC3=[O+]C2C5=CC=C(O)C=C5)COC(=O)/C=C/C6=CC=C(O)C=C6)C7OC(C(O)C(O)C7O)CO
 xref: HMDB:HMDB0035452


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Term Annotations click to browse term
  CHEBI ontology 19893
    chemical entity 19891
      molecular entity 19891
        ion 17093
          organic ion 11452
            organic cation 8962
              anthocyanidin cation 148
                anthocyanidin glycoside 2
                  \{[6-(\{5-[(6-\{[(2-carboxyacetyl)oxy]methyl\}-3,4,5-trihydroxyoxan-2-yl)oxy]-7-hydroxy-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-2H-chromen-3-yl\}oxy)-3,4-dihydroxy-5-\{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy\}oxan-2-yl]methyl\}[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]oxidanium 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19893
    subatomic particle 19891
      composite particle 19891
        hadron 19891
          baryon 19891
            nucleon 19891
              atomic nucleus 19891
                atom 19891
                  main group element atom 19830
                    p-block element atom 19830
                      carbon group element atom 19771
                        carbon atom 19767
                          organic molecular entity 19767
                            organic molecule 19719
                              organic cyclic compound 19509
                                organic heterocyclic compound 18887
                                  oxacycle 17919
                                    benzopyran 11989
                                      1-benzopyran 11742
                                        chromenes 4438
                                          chromene 148
                                            2H-chromene 148
                                              chromenyliums 148
                                                chromenylium 148
                                                  flavylium 148
                                                    anthocyanidin cation 148
                                                      anthocyanidin glycoside 2
                                                        \{[6-(\{5-[(6-\{[(2-carboxyacetyl)oxy]methyl\}-3,4,5-trihydroxyoxan-2-yl)oxy]-7-hydroxy-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-2H-chromen-3-yl\}oxy)-3,4-dihydroxy-5-\{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy\}oxan-2-yl]methyl\}[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]oxidanium 0
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