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petunidin 3-O-beta-D-glucoside English (Q7179425)

Item Discussion
chemical compound
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Language Label Description Also known as
British English
No label defined
chemical compound

    Statements

    instance of
    chemical compound
    0 references
    Q1073242 (Deleted Item)
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    Q108859397 (Deleted Item)
    1 reference
    inferred from
    Q108859397 (Deleted Item)
    CAS registry number
    6988-81-4
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    31985
    language of work or name
    English
    title
    petunidin 3-O-beta-D-glucoside (English)
    retrieved
    6 October 2016
    PubChem CID
    443651
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    443651
    language of work or name
    English
    title
    Petunidin 3-glucoside (English)
    retrieved
    6 October 2016
    ChEBI ID
    31985
    mapping relation type English
    exact match English
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    31985
    language of work or name
    English
    title
    petunidin 3-O-beta-D-glucoside (English)
    retrieved
    6 October 2016
    SMILES
    COC1=CC(=CC(=C1O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)OC4C(C(C(C(O4)CO)O)O)O
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    443651
    language of work or name
    English
    title
    Petunidin 3-glucoside (English)
    retrieved
    6 October 2016
    InChI
    InChI=1S/C22H22O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1/t16-,18-,19+,20-,22-/m1/s1
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    443651
    language of work or name
    English
    title
    Petunidin 3-glucoside (English)
    retrieved
    6 October 2016
    InChIKey
    CCQDWIRWKWIUKK-QKYBYQKWSA-O
    2 references
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    443651
    language of work or name
    English
    title
    Petunidin 3-glucoside (English)
    retrieved
    6 October 2016
    stated in
    Q98915402 (Deleted Item)
    ChemSpider ID
    391784
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    391784
    language of work or name
    English
    title
    Petunidin-3-O-beta-glucopyranoside (English)
    retrieved
    6 October 2016
    UNII English
    AA9G36JBHT
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    ChEMBL ID
    CHEMBL1784264
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL1784264
    language of work or name
    English
    title
    CHEMBL1784264 (English)
    retrieved
    6 October 2016
    mass
    479.118951 http://www.wikidata.org/entity/Q483261
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    443651
    language of work or name
    English
    title
    Petunidin 3-glucoside (English)
    retrieved
    6 October 2016
    chemical formula
    C₂₂H₂₃O₁₂+
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    443651
    language of work or name
    English
    title
    Petunidin 3-glucoside (English)
    retrieved
    6 October 2016
    isomeric SMILES
    COC1=CC(=CC(=C1O)O)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    443651
    language of work or name
    English
    title
    Petunidin 3-glucoside (English)
    retrieved
    6 October 2016
    KEGG ID English
    C12139
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    31985
    language of work or name
    English
    title
    petunidin 3-O-beta-D-glucoside (English)
    retrieved
    6 October 2016
    KNApSAcK ID English
    C00006722
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    31985
    language of work or name
    English
    title
    petunidin 3-O-beta-D-glucoside (English)
    retrieved
    6 October 2016
    Reaxys registry number English
    1613022
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    31985
    language of work or name
    English
    title
    petunidin 3-O-beta-D-glucoside (English)
    retrieved
    6 October 2016
    SPLASH English
    splash10-02di-0179400000-8c080d5270ed5c16fe1d
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    splash10-004i-0000900000-7301bdab6051b125c428
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    splash10-016r-0008900000-4ea6cccc6d99375f2545
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    splash10-014i-0009000000-fbd3ba5cd7c5a5479224
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    splash10-014i-0009000000-83480eb1a7b186450678
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    splash10-014i-0009000000-8a732acc70cad63c2585
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    splash10-014i-0009000000-5c5de0c5729541138e91
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    splash10-014i-0019100000-5a17dc990408af3c64fe
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    LIPID MAPS ID
    LMPK12010349
    0 references
    Human Metabolome Database ID English
    HMDB0038097
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    MassBank accession ID English
    PR100455
    0 references
    PR100913
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    DSSTox substance ID English
    DTXSID40990158
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    DSSTOX compound identifier English
    DTXCID701417263
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    found in taxon
    Vaccinium myrtillus
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    stated in
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    Rubus idaeus
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    Fragaria
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    Glycine max English
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    Picea English
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    Vaccinium padifolium English
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    Berberis integerrima English
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    Berberis sieboldii English
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    Vaccinium arboreum English
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    stated in
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    Vaccinium corymbosum English
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    Sambucus nigra
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    Visnea mocanera English
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    onion
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    Myrtus communis L. English
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    Q33825501 (Deleted Item)
    Capsicum annuum
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    Q90819055 (Deleted Item)
    Berberis heteropoda English
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    stated in
    Q104386992 (Deleted Item)
    Freebase ID
    /m/0j43fjm
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