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procyanidin C1 English (Q7247556)

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

    Statements

    instance of
    chemical compound
    0 references
    Q17076294 (Deleted Item)
    0 references
    Q108861240 (Deleted Item)
    1 reference
    inferred from
    Q108861240 (Deleted Item)
    Q108876886 (Deleted Item)
    1 reference
    inferred from
    Q108876886 (Deleted Item)
    Q108923394 (Deleted Item)
    1 reference
    inferred from
    Q108923394 (Deleted Item)
    CAS registry number
    37064-30-5
    2 references
    stated in
    Unique Ingredient Identifier English
    UNII English
    33516LCW4F
    language of work or name
    English
    title
    procyanidin c1 (English)
    retrieved
    20 November 2016
    InChIKey
    MOJZMWJRUKIQGL-XILRTYJMSA-N
    stated in
    Q18907859 (Deleted Item)
    retrieved
    9 April 2021
    reference URL
    https://commonchemistry.cas.org/detail?cas_rn=37064-30-5
    PubChem CID
    169853
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    169853
    language of work or name
    English
    title
    Procyanidin C1 (English)
    retrieved
    20 November 2016
    ChEBI ID
    75643
    mapping relation type English
    exact match English
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL290632
    language of work or name
    English
    title
    PROCYANIDIN C1 (English)
    retrieved
    20 November 2016
    SMILES
    C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    169853
    language of work or name
    English
    title
    Procyanidin C1 (English)
    retrieved
    20 November 2016
    chemical formula
    C₄₅H₃₈O₁₈
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    169853
    language of work or name
    English
    title
    Procyanidin C1 (English)
    retrieved
    20 November 2016
    InChI
    InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    169853
    language of work or name
    English
    title
    Procyanidin C1 (English)
    retrieved
    20 November 2016
    InChIKey
    MOJZMWJRUKIQGL-XILRTYJMSA-N
    2 references
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    169853
    language of work or name
    English
    title
    Procyanidin C1 (English)
    retrieved
    20 November 2016
    stated in
    Q98915402 (Deleted Item)
    KEGG ID English
    C17624
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    75643
    language of work or name
    English
    title
    procyanidin C1 (English)
    retrieved
    8 October 2016
    KNApSAcK ID English
    C00009098
    0 references
    ChEMBL ID
    CHEMBL290632
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL290632
    language of work or name
    English
    title
    PROCYANIDIN C1 (English)
    retrieved
    20 November 2016
    mass
    866.205814 http://www.wikidata.org/entity/Q483261
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    169853
    language of work or name
    English
    title
    Procyanidin C1 (English)
    retrieved
    8 October 2016
    ChemSpider ID
    148540
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    148540
    language of work or name
    English
    title
    Procyanidin C1 (English)
    retrieved
    20 November 2016
    isomeric SMILES
    C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C(C(=CC(=C34)O)O)[C@@H]5[C@H]([C@H](OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    169853
    language of work or name
    English
    title
    Procyanidin C1 (English)
    retrieved
    20 November 2016
    UNII English
    33516LCW4F
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    33516LCW4F
    language of work or name
    English
    title
    procyanidin c1 (English)
    retrieved
    20 November 2016
    Reaxys registry number English
    3647705
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    75643
    language of work or name
    English
    title
    procyanidin C1 (English)
    retrieved
    8 October 2016
    DSSTox substance ID English
    DTXSID10190562
    1 reference
    stated in
    Q28061352 (Deleted Item)
    SPLASH English
    splash10-014i-0000000090-9799efc5515e5ba7f790
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    splash10-014i-0000000090-adca830b763ffc290252
    0 references
    splash10-014i-0000000090-5900b97bd948dcb3d6db
    0 references
    splash10-014i-0000000090-67597487d2b5b5b34e32
    0 references
    splash10-014i-0000000090-5a30f233b54cb9fecf6d
    0 references
    splash10-016r-0340210090-7a35b5c8f1ccbf9ce4fe
    0 references
    splash10-014i-0000000090-6bd825c3460c916e736f
    0 references
    Human Metabolome Database ID English
    HMDB0038370
    0 references
    MassBank accession ID English
    PR101005
    0 references
    Microsoft Academic ID
    2778848625
    0 references
    DSSTOX compound identifier English
    DTXCID50113053
    0 references
    found in taxon
    Q39918 (Deleted Item)
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    Horse-chestnut
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    Albizia lebbeck English
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    Calluna vulgaris English
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    Campylotropis hirtella English
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    Cecropia hololeuca English
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    Coleogyne ramosissima English
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    Crataegus oxyacantha L. (1753) English
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    Guazuma ulmifolia English
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    Kandelia candel English
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    Thujopsis dolabrata English
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    Vaccinium myrtillus
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    Annona reticulata English
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    Capsicum annuum
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    Musa
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    pea
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    peach
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    pomegranate
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    aubergine
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    Q104936919 (Deleted Item)
    Rumex acetosa English
    1 reference
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    tomato English
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    Q61912644 (Deleted Item)
    Q159553 (Deleted Item)
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    Q104838311 (Deleted Item)
    Q18674606 (Deleted Item)
    8 references
    stated in
    Q104838311 (Deleted Item)
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    Freebase ID
    /m/0bxz4c9
    0 references
    has quality
    bitterness English
    1 reference
    stated in
    BitterDB English
    P11199 (Deleted Property)
    PD085486 Property P11199 not found, cannot determine the data type to use.
    0 references
     
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