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aflatoxin B₁ (Q4689278)

From Wikidata
chemical compound
  • 2,3,6aalpha,9aalpha-Tetrahydro-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione
  • 11-methoxy-6,8,19-trioxapentacyclo[10.7.0.0^{2,9}.0^{3,7}.0^{13,17}]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione
  • AFBI
  • AFB1
  • Aflatoxin B1
  • Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6aR-cis)-
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Language Label Description Also known as
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No label defined
    English
    aflatoxin B₁
    chemical compound
    • 2,3,6aalpha,9aalpha-Tetrahydro-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione
    • 11-methoxy-6,8,19-trioxapentacyclo[10.7.0.0^{2,9}.0^{3,7}.0^{13,17}]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione
    • AFBI
    • AFB1
    • Aflatoxin B1
    • Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6aR-cis)-

    Statements

    subclass of
    aflatoxins
    0 references
    chemical formula
    C₁₇H₁₂O₆
    1 reference
    stated in
    PubChem
    PubChem CID
    186907
    language of work or name
    English
    title
    1162-65-8 (English)
    retrieved
    18 November 2016
    canonical SMILES
    COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1
    1 reference
    stated in
    PubChem
    PubChem CID
    186907
    language of work or name
    English
    title
    1162-65-8 (English)
    retrieved
    18 November 2016
    isomeric SMILES
    COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1
    1 reference
    stated in
    PubChem
    PubChem CID
    186907
    language of work or name
    English
    title
    1162-65-8 (English)
    retrieved
    18 November 2016
    Commons category
    Aflatoxin B1
    0 references

    Identifiers

    ChemSpider ID
    162470
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    162470
    language of work or name
    English
    title
    (–)-Aflatoxin B1 (English)
    retrieved
    18 November 2016
    Reaxys registry number
    1269174
    0 references
    MassBank accession ID
    MSBNK-AAFC-AC000016
    0 references
    MSBNK-AAFC-AC000017
    0 references
    MSBNK-AAFC-AC000018
    0 references
    MSBNK-AAFC-AC000019
    0 references
    MSBNK-AAFC-AC000020
    0 references
    MSBNK-AAFC-AC000021
    0 references
    MSBNK-AAFC-AC000022
    0 references
    MSBNK-AAFC-AC000023
    0 references
    MSBNK-AAFC-AC000024
    0 references
    MSBNK-AAFC-AC000025
    0 references
    CAMEO Chemicals ID
    19727
    0 references
    HSDB ID
    3453
    1 reference
    stated in
    Hazardous Substances Data Bank
    HSDB ID
    3453
    publication date
    28 October 2019
    title
    AFLATOXIN B1 (English)
    retrieved
    10 May 2021
    NSC number
    529592
    0 references
    ECHA Substance Infocard ID
    100.013.276
    1 reference
    stated in
    ECHA Substance Infocard database
    ECHA Substance Infocard ID
    100.013.276
    retrieved
    27 December 2018
    title
    2,3,6aα,9aα-tetrahydro-4-methoxycyclopenta[c]furo[2',3':4,5]furo[2,3-h]chromene-1,11-dione (English)
    quotation
    CAS no.: 1162-65-8 (English)
    MeSH descriptor ID
    D016604
    subject named as
    Aflatoxin B1
    0 references
    KNApSAcK ID
    C00000546
    1 reference
    stated in
    ChEBI
    ChEBI ID
    2504
    language of work or name
    English
    title
    aflatoxin B1 (English)
    retrieved
    19 October 2016
    KEGG ID
    C06800
    1 reference
    stated in
    ChEBI
    ChEBI ID
    2504
    language of work or name
    English
    title
    aflatoxin B1 (English)
    retrieved
    19 October 2016
    PDB ligand ID
    AFT
    0 references
    DeCS ID
    30277
    0 references
    Freebase ID
    /m/0qs8kvm
    0 references
     
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