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Roquefortine C English (Q7366803)

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

    Statements

    instance of
    Q109319609 (Deleted Item)
    1 reference
    inferred from
    Q109319609 (Deleted Item)
    Q84737692 (Deleted Item)
    1 reference
    inferred from
    Q84737692 (Deleted Item)
    Q109476791 (Deleted Item)
    1 reference
    inferred from
    Q109476791 (Deleted Item)
    chemical formula
    C₂₂H₂₃N₅O₂
    0 references
    PubChem CID
    21608802
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    21608802
    InChI
    InChI=1S/C22H23N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-9,11-12,17,20,26H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b16-9+/t17-,20-,22+/m0/s1
    0 references
    InChIKey
    SPWSUFUPTSJWNG-JJUKSXGLSA-N
    0 references
    SMILES
    CC(C)(C=C)C12CC3C(=O)NC(=CC4=CN=CN4)C(=O)N3C1NC5=CC=CC=C25
    0 references
    UNII English
    4VW6U94XFK
    0 references
    isomeric SMILES
    CC(C)(C=C)[C@@]12C[C@H]3C(=O)N/C(=C/C4=CN=CN4)/C(=O)N3[C@@H]1NC5=CC=CC=C25
    0 references
    mass
    389.185175 http://www.wikidata.org/entity/Q483261
    0 references
    DSSTox substance ID English
    DTXSID20891816
    0 references
    NSC number English
    292134
    0 references
    Microsoft Academic ID
    2777647554
    0 references
    DSSTOX compound identifier English
    DTXCID201031054
    0 references
    found in taxon
    Penicillium crustosum English
    1 reference
    stated in
    Q104395329 (Deleted Item)
    Q15020954 (Deleted Item)
    2 references
    stated in
    Q104395329 (Deleted Item)
    stated in
    Q105257655 (Deleted Item)
    Q104096451 (Deleted Item)
    1 reference
    stated in
    Q105257655 (Deleted Item)
    Penicillium oxalicum English
    1 reference
    stated in
    Q104395329 (Deleted Item)
    Q104096274 (Deleted Item)
    1 reference
    stated in
    Q104985560 (Deleted Item)
    Penicillium simplicissimum English
    1 reference
    stated in
    Q104985560 (Deleted Item)
    Q133247 (Deleted Item)
    2 references
    stated in
    Q104919628 (Deleted Item)
    stated in
    Q105257656 (Deleted Item)
    Gymnoascus reessii English
    1 reference
    stated in
    Q33227841 (Deleted Item)
    Q1044073 (Deleted Item)
    1 reference
    stated in
    Q78234707 (Deleted Item)
    Q137155 (Deleted Item)
    1 reference
    stated in
    Q78296015 (Deleted Item)
    Q15020933 (Deleted Item)
    1 reference
    stated in
    Q78442449 (Deleted Item)
    barley
    1 reference
    stated in
    Q105257658 (Deleted Item)
    Freebase ID
    /m/05mwjfp
    0 references
    HSDB ID English
    7246
    1 reference
    stated in
    Hazardous Substances Data Bank
    HSDB ID English
    7246
    publication date
    28 October 2019
    title
    ROQUEFORTINE (English)
    retrieved
    10 Mayıs 2021
    ChEBI ID
    183713
    mapping relation type English
    exact match English
    1 reference
    stated in
    Q113292036 (Deleted Item)
    MassBank accession ID English
    MSBNK-AAFC-AC000214
    1 reference
    InChIKey
    SPWSUFUPTSJWNG-JJUKSXGLSA-N
    stated in
    Q113696454 (Deleted Item)
    retrieved
    4 September 2022
    based on heuristic
    Q100452164 (Deleted Item)
    MSBNK-AAFC-AC000215
    1 reference
    InChIKey
    SPWSUFUPTSJWNG-JJUKSXGLSA-N
    stated in
    Q113696454 (Deleted Item)
    retrieved
    4 September 2022
    based on heuristic
    Q100452164 (Deleted Item)
    MSBNK-AAFC-AC000216
    1 reference
    InChIKey
    SPWSUFUPTSJWNG-JJUKSXGLSA-N
    stated in
    Q113696454 (Deleted Item)
    retrieved
    4 September 2022
    based on heuristic
    Q100452164 (Deleted Item)
    MSBNK-AAFC-AC000217
    1 reference
    InChIKey
    SPWSUFUPTSJWNG-JJUKSXGLSA-N
    stated in
    Q113696454 (Deleted Item)
    retrieved
    4 September 2022
    based on heuristic
    Q100452164 (Deleted Item)
    MSBNK-AAFC-AC000218
    1 reference
    InChIKey
    SPWSUFUPTSJWNG-JJUKSXGLSA-N
    stated in
    Q113696454 (Deleted Item)
    retrieved
    4 September 2022
    based on heuristic
    Q100452164 (Deleted Item)
    MSBNK-AAFC-AC000219
    1 reference
    InChIKey
    SPWSUFUPTSJWNG-JJUKSXGLSA-N
    stated in
    Q113696454 (Deleted Item)
    retrieved
    4 September 2022
    based on heuristic
    Q100452164 (Deleted Item)
    MSBNK-AAFC-AC000221
    1 reference
    InChIKey
    SPWSUFUPTSJWNG-JJUKSXGLSA-N
    stated in
    Q113696454 (Deleted Item)
    retrieved
    4 September 2022
    based on heuristic
    Q100452164 (Deleted Item)
    MSBNK-AAFC-AC000223
    1 reference
    InChIKey
    SPWSUFUPTSJWNG-JJUKSXGLSA-N
    stated in
    Q113696454 (Deleted Item)
    retrieved
    4 September 2022
    based on heuristic
    Q100452164 (Deleted Item)
    MSBNK-AAFC-AC000220
    1 reference
    InChIKey
    SPWSUFUPTSJWNG-JJUKSXGLSA-N
    stated in
    Q113696454 (Deleted Item)
    retrieved
    4 September 2022
    based on heuristic
    Q100452164 (Deleted Item)
    MSBNK-AAFC-AC000222
    1 reference
    InChIKey
    SPWSUFUPTSJWNG-JJUKSXGLSA-N
    stated in
    Q113696454 (Deleted Item)
    retrieved
    4 September 2022
    based on heuristic
    Q100452164 (Deleted Item)
    P11199 (Deleted Property)
    PD018692 Property P11199 not found, cannot determine the data type to use.
    0 references
     
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