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Aflatoxin B1

UUID 1f308814-6556-11dd-ad8b-0800200c9a66
Flow Object IDfo-734f98e943a314af
Source EF 3.1
Context Environmental → Air → Aircraft cruise height
CAS Numbers 1162-65-8
EC Numbers 214-603-3
prefLabel
Language Value Provenance
en Aflatoxin B1
altLabel ⓘ
Language Value Provenance
en (6aR,9aS)-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione
en 2,3,6aalpha,9aalpha-Tetrahydro-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione
en aflatoxin B(1)
en (-)-Aflatoxin B<sub>1</sub>
en (6a<em>R</em>,9a<em>S</em>)-2,3,6a,9a-Tetrahydro-4-methoxy-1<em>H</em>,11<em>H</em>-cyclopenta[<em>c</em>]furo[3′,2′:4,5]furo[2,3-<em>h</em>][1]benzopyran-1,11-dione
en 1-Cyclopentene-1-carboxylic acid, 2-(3a,8a-dihydro-4-hydroxy-6-methoxyfuro[2,3-<em>b</em>]benzofuran-5-yl)-5-oxo-, δ-lactone
en 1<em>H</em>,11<em>H</em>-Cyclopenta[<em>c</em>]furo[3′,2′:4,5]furo[2,3-<em>h</em>][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6a<em>R</em>,9a<em>S</em>)-
en AFB<sub>1</sub>
en Aflatoxin B<sub>1</sub>
en Cyclopenta[<em>c</em>]furo[3′,2′:4,5]furo[2,3-<em>h</em>][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6a<em>R</em>,9a<em>S</em>)-
en Cyclopenta[<em>c</em>]furo[3′,2′:4,5]furo[2,3-<em>h</em>][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6a<em>R</em>-<em>cis</em>)-
en Cyclopenta[<em>c</em>]furo[3′,2′:4,5]furo[2,3-<em>h</em>][1]benzopyran-1,11-dione, 2,3,6aα,9aα-tetrahydro-4-methoxy-
en MeSH ID: D016604
en NSC 529592
Definitions
Language Value Provenance
en An aflatoxin having a tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey OQIQSTLJSLGHID-WNWIJWBNSA-N
InChI InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3/t8-,17+/m0/s1
IUPAC name (3S,7R)-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione, (3S,7R)-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-quinone
Molecular formula C17H12O6
Molecular mass 312.277
Monoisotopic mass 312.06339
SMILES COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1, COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1, [H][C@]12OC=C[C@@]1([H])c1c(cc(OC)c3c4c(c(=O)oc13)C(=O)CC4)O2

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 1f308814-6556-11dd-ad8b-0800200c9a66 aflatoxin B1

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 aflatoxin B1 Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=aflatoxinb1||dimension=Environmental > media=Ground > geography=Agricultural; cas=1162-65-8; added Common Chemistry CAS names as altLabel: (-)-Aflatoxin B<sub>1</sub>, (6a<em>R</em>,9a<em>S</em>)-2,3,6a,9a-Tetrahydro-4-methoxy-1<em>H</em>,11<em>H</em>-cyclopenta[<em>c</em>]furo[3′,2′:4,5]furo[2,3-<em>h</em>][1]benzopyran-1,11-dione, 1-Cyclopentene-1-carboxylic acid, 2-(3a,8a-dihydro-4-hydroxy-6-methoxyfuro[2,3-<em>b</em>]benzofuran-5-yl)-5-oxo-, δ-lactone, 1<em>H</em>,11<em>H</em>-Cyclopenta[<em>c</em>]furo[3′,2′:4,5]furo[2,3-<em>h</em>][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6a<em>R</em>,9a<em>S</em>)-, AFB<sub>1</sub>, Aflatoxin B<sub>1</sub>, Cyclopenta[<em>c</em>]furo[3′,2′:4,5]furo[2,3-<em>h</em>][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6a<em>R</em>,9a<em>S</em>)-, Cyclopenta[<em>c</em>]furo[3′,2′:4,5]furo[2,3-<em>h</em>][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6a<em>R</em>-<em>cis</em>)-, Cyclopenta[<em>c</em>]furo[3′,2′:4,5]furo[2,3-<em>h</em>][1]benzopyran-1,11-dione, 2,3,6aα,9aα-tetrahydro-4-methoxy-, MeSH ID: D016604, NSC 529592; object_uuid=fo-734f98e943a314af
cas_match_labels 1 — consensus_match group_key=aflatoxinb1||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'1162-65-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-734f98e943a314af: {'1162-65-8': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataAircraft cruise height

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': "(6aR,9aS)-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:(6aR,9aS)-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione", 'http://purl.obolibrary.org/obo/CHEBI_2504', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "2,3,6aalpha,9aalpha-Tetrahydro-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:2,3,6aalpha,9aalpha-Tetrahydro-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione", 'http://purl.obolibrary.org/obo/CHEBI_2504', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'aflatoxin B(1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:aflatoxin B(1)', 'http://purl.obolibrary.org/obo/CHEBI_2504', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': "(6aR,9aS)-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:(6aR,9aS)-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione", 'http://purl.obolibrary.org/obo/CHEBI_2504', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "2,3,6aalpha,9aalpha-Tetrahydro-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:2,3,6aalpha,9aalpha-Tetrahydro-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione", 'http://purl.obolibrary.org/obo/CHEBI_2504', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'aflatoxin B(1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:aflatoxin B(1)', 'http://purl.obolibrary.org/obo/CHEBI_2504', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(-)-Aflatoxin B<sub>1</sub>', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1162-65-8', 'https://commonchemistry.cas.org/detail?cas_rn=1162-65-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(6a<em>R</em>,9a<em>S</em>)-2,3,6a,9a-Tetrahydro-4-methoxy-1<em>H</em>,11<em>H</em>-cyclopenta[<em>c</em>]furo[3′,2′:4,5]furo[2,3-<em>h</em>][1]benzopyran-1,11-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1162-65-8', 'https://commonchemistry.cas.org/detail?cas_rn=1162-65-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Cyclopentene-1-carboxylic acid, 2-(3a,8a-dihydro-4-hydroxy-6-methoxyfuro[2,3-<em>b</em>]benzofuran-5-yl)-5-oxo-, δ-lactone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1162-65-8', 'https://commonchemistry.cas.org/detail?cas_rn=1162-65-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1<em>H</em>,11<em>H</em>-Cyclopenta[<em>c</em>]furo[3′,2′:4,5]furo[2,3-<em>h</em>][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6a<em>R</em>,9a<em>S</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1162-65-8', 'https://commonchemistry.cas.org/detail?cas_rn=1162-65-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'AFB<sub>1</sub>', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1162-65-8', 'https://commonchemistry.cas.org/detail?cas_rn=1162-65-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Aflatoxin B<sub>1</sub>', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1162-65-8', 'https://commonchemistry.cas.org/detail?cas_rn=1162-65-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclopenta[<em>c</em>]furo[3′,2′:4,5]furo[2,3-<em>h</em>][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6a<em>R</em>,9a<em>S</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1162-65-8', 'https://commonchemistry.cas.org/detail?cas_rn=1162-65-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclopenta[<em>c</em>]furo[3′,2′:4,5]furo[2,3-<em>h</em>][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6a<em>R</em>-<em>cis</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1162-65-8', 'https://commonchemistry.cas.org/detail?cas_rn=1162-65-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclopenta[<em>c</em>]furo[3′,2′:4,5]furo[2,3-<em>h</em>][1]benzopyran-1,11-dione, 2,3,6aα,9aα-tetrahydro-4-methoxy-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1162-65-8', 'https://commonchemistry.cas.org/detail?cas_rn=1162-65-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'MeSH ID: D016604', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1162-65-8', 'https://commonchemistry.cas.org/detail?cas_rn=1162-65-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 529592', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1162-65-8', 'https://commonchemistry.cas.org/detail?cas_rn=1162-65-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=aflatoxinb1||dimension=Environmental > media=Ground > geography=Agricultural; cas=1162-65-8; added Common Chemistry CAS names as altLabel: (-)-Aflatoxin B<sub>1</sub>, (6a<em>R</em>,9a<em>S</em>)-2,3,6a,9a-Tetrahydro-4-methoxy-1<em>H</em>,11<em>H</em>-cyclopenta[<em>c</em>]furo[3′,2′:4,5]furo[2,3-<em>h</em>][1]benzopyran-1,11-dione, 1-Cyclopentene-1-carboxylic acid, 2-(3a,8a-dihydro-4-hydroxy-6-methoxyfuro[2,3-<em>b</em>]benzofuran-5-yl)-5-oxo-, δ-lactone, 1<em>H</em>,11<em>H</em>-Cyclopenta[<em>c</em>]furo[3′,2′:4,5]furo[2,3-<em>h</em>][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6a<em>R</em>,9a<em>S</em>)-, AFB<sub>1</sub>, Aflatoxin B<sub>1</sub>, Cyclopenta[<em>c</em>]furo[3′,2′:4,5]furo[2,3-<em>h</em>][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6a<em>R</em>,9a<em>S</em>)-, Cyclopenta[<em>c</em>]furo[3′,2′:4,5]furo[2,3-<em>h</em>][1]benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6a<em>R</em>-<em>cis</em>)-, Cyclopenta[<em>c</em>]furo[3′,2′:4,5]furo[2,3-<em>h</em>][1]benzopyran-1,11-dione, 2,3,6aα,9aα-tetrahydro-4-methoxy-, MeSH ID: D016604, NSC 529592; object_uuid=fo-734f98e943a314af
cas_match_labels None {'1162-65-8': 'exactMatch'} group_key=aflatoxinb1||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'1162-65-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-734f98e943a314af: {'1162-65-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "1f308814-6556-11dd-ad8b-0800200c9a66",
  "name": null,
  "cas_numbers": [
    "1162-65-8"
  ],
  "ec_numbers": [
    "214-603-3"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Aircraft cruise height"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
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      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 3544.2
    },
    {
      "method_uuid": "2299222a-bbd8-474f-9d4f-4dd1f18aea7c",
      "name": "Human toxicity, cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
      "characterization_factor": 0.0044916
    },
    {
      "method_uuid": "503699e0-eca9-4089-8bf8-e0f49c93e578",
      "name": "Human toxicity, cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
      "characterization_factor": 0.0044916
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 3544.2
    }
  ],
  "source": "EF 3.1",
  "identifier": "1f308814-6556-11dd-ad8b-0800200c9a66",
  "input_datasets": [
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  "source_refs": [
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      "source_flow_name": "aflatoxin B1",
      "source_metadata": {
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        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to air",
          "Emissions to lower stratosphere and upper troposphere"
        ]
      }
    }
  ],
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    "properties": "enrich_references",
    "skos:definition": "enrich_references",
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  "properties": {
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      "rdfs:label": "Molecular formula",
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      "@value": [
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
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