pedunculagin (Q7160092)

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chemical compound
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Language Label Description Also known as
English
pedunculagin
chemical compound

    Statements

    chemical structure
    Pedunculagin.svg
    950 × 730; 39 KB
    0 references
    mass
    784.075922±0 dalton
    1 reference
    stated in
    PubChem
    PubChem CID
    442688
    language of work or name
    English
    title
    Pedunculagin (English)
    retrieved
    5 October 2016
    chemical formula
    C₃₄H₂₄O₂₂
    1 reference
    stated in
    PubChem
    PubChem CID
    442688
    language of work or name
    English
    title
    Pedunculagin (English)
    retrieved
    5 October 2016
    canonical SMILES
    C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O
    1 reference
    stated in
    PubChem
    PubChem CID
    442688
    language of work or name
    English
    title
    Pedunculagin (English)
    retrieved
    5 October 2016
    isomeric SMILES
    C1[C@@H]2[C@H]([C@H]3[C@H](C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O
    1 reference
    stated in
    PubChem
    PubChem CID
    442688
    language of work or name
    English
    title
    Pedunculagin (English)
    retrieved
    5 October 2016
    found in taxon

    Identifiers

    ChemSpider ID
    391045
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    391045
    language of work or name
    English
    title
    pedunculagin (English)
    retrieved
    5 October 2016
    35518557
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    35518557
    language of work or name
    English
    title
    (10aR,12aR,25aR,25bS)-2,3,4,5,6,7,11,17,18,19,20,21,22-Tridecahydroxy-10a,11,12a,13,25a,25b-hexahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':4,5]pyrano[3,2-b][1,5]dioxacycloundecine-9,15, (English)
    retrieved
    5 October 2016
    KNApSAcK ID
    C00002932
    1 reference
    stated in
    ChEBI
    ChEBI ID
    7948
    language of work or name
    English
    title
    Pedunculagin (English)
    retrieved
    5 October 2016
    KEGG ID
    C10236
    1 reference
    stated in
    ChEBI
    ChEBI ID
    7948
    language of work or name
    English
    title
    Pedunculagin (English)
    retrieved
    5 October 2016
    Freebase ID
    /m/0jl0hpw
    0 references
     
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