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Deoxynivalenol

UUID 34b75468-55a4-4bc9-a32d-dba6132cc616
Flow Object IDfo-52750e15bf41949a
Source EF 3.1
Context Environmental → Air → Ground level → Urban (>1000 people/square mile)
CAS Numbers 51481-10-8
EC Numbers 610-668-0
prefLabel ⓘ
Language Value Provenance
en Deoxynivalenol
altLabel ⓘ
Language Value Provenance
en 3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one
en 4-Deoxynivalenol
en 4-Desoxynivalenol
en DON
en Dehydronivalenol
en Desoxynivalenol
en Vomitoxin
en (3α,7α)-12,13-Epoxy-3,7,15-trihydroxytrichothec-9-en-8-one
en NSC 269144
en Spiro[2,5-methano-1-benzoxepin-10,2′-oxirane], trichothec-9-en-8-one deriv.
en Trichothec-9-en-8-one, 12,13-epoxy-3,7,15-trihydroxy-, (3α,7α)-
Definitions
Language Value Provenance
en A trichothecene mycotoxin produced by Fusarium to which wheat, barley, maize (corn) and their products are susceptible to contamination.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey LINOMUASTDIRTM-QGRHZQQGSA-N
InChI InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1
IUPAC name (1R,2R,3S,7R,9R,10R,12S)-2-(hydroxymethyl)-1,5-dimethyl-3,10-bis(oxidanyl)spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one, (1R,2R,3S,7R,9R,10R,12S)-3,10-dihydroxy-1,5-dimethyl-2-methylol-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one, (1R,2R,3S,7R,9R,10R,12S)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]one, (1R,2R,3S,7R,9R,10R,12S)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethyl-spiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one, (1R,2R,3S,7R,9R,10R,12S)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one
Molecular formula C15H20O6
Molecular mass 296.319
Monoisotopic mass 296.12599
SMILES CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)O)C)CO, CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO, [H][C@@]12C=C(C)C(=O)[C@@H](O)[C@]1(CO)[C@@]1(C)C[C@@H](O)[C@@]([H])(O2)[C@@]12CO2

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 34b75468-55a4-4bc9-a32d-dba6132cc616 (3α,7α)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 (3α,7α)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one Emissions/Emissions to air/Emissions to urban air close to ground kg exactMatch —

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=(3α,7α)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one||dimension=Environmental > media=Ground > geography=Unknown; cas=51481-10-8; added Common Chemistry CAS names as altLabel: (3α,7α)-12,13-Epoxy-3,7,15-trihydroxytrichothec-9-en-8-one, NSC 269144, Spiro[2,5-methano-1-benzoxepin-10,2′-oxirane], trichothec-9-en-8-one deriv., Trichothec-9-en-8-one, 12,13-epoxy-3,7,15-trihydroxy-, (3α,7α)-; object_uuid=fo-52750e15bf41949a
cas_match_labels 1 — consensus_match group_key=(3α,7α)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi']; cas_sources={'51481-10-8': ['chebi']}; assigned CAS labels from group consensus; object_uuid=fo-52750e15bf41949a: {'51481-10-8': 'exactMatch'}
prefLabel 1 — consensus_match cas=51481-10-8; cc_chebi_agreed_name='Deoxynivalenol'; object_uuid=fo-52750e15bf41949a

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityUrban (>1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '(3α,7α)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Deoxynivalenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:51481-10-8'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=51481-10-8; cc_chebi_agreed_name='Deoxynivalenol'; object_uuid=fo-52750e15bf41949a
altLabel [{'@value': '3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one', 'http://purl.obolibrary.org/obo/CHEBI_10022', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Deoxynivalenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Deoxynivalenol', 'http://purl.obolibrary.org/obo/CHEBI_10022', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Desoxynivalenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Desoxynivalenol', 'http://purl.obolibrary.org/obo/CHEBI_10022', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'DON', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:DON', 'http://purl.obolibrary.org/obo/CHEBI_10022', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Dehydronivalenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Dehydronivalenol', 'http://purl.obolibrary.org/obo/CHEBI_10022', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Desoxynivalenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Desoxynivalenol', 'http://purl.obolibrary.org/obo/CHEBI_10022', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Vomitoxin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Vomitoxin', 'http://purl.obolibrary.org/obo/CHEBI_10022', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one', 'http://purl.obolibrary.org/obo/CHEBI_10022', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Deoxynivalenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Deoxynivalenol', 'http://purl.obolibrary.org/obo/CHEBI_10022', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Desoxynivalenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Desoxynivalenol', 'http://purl.obolibrary.org/obo/CHEBI_10022', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'DON', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:DON', 'http://purl.obolibrary.org/obo/CHEBI_10022', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Dehydronivalenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Dehydronivalenol', 'http://purl.obolibrary.org/obo/CHEBI_10022', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Desoxynivalenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Desoxynivalenol', 'http://purl.obolibrary.org/obo/CHEBI_10022', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Vomitoxin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Vomitoxin', 'http://purl.obolibrary.org/obo/CHEBI_10022', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(3α,7α)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] cas=51481-10-8; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-52750e15bf41949a
altLabel [{'@value': '3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one', 'http://purl.obolibrary.org/obo/CHEBI_10022', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Deoxynivalenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Deoxynivalenol', 'http://purl.obolibrary.org/obo/CHEBI_10022', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Desoxynivalenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Desoxynivalenol', 'http://purl.obolibrary.org/obo/CHEBI_10022', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'DON', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:DON', 'http://purl.obolibrary.org/obo/CHEBI_10022', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Dehydronivalenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Dehydronivalenol', 'http://purl.obolibrary.org/obo/CHEBI_10022', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Desoxynivalenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Desoxynivalenol', 'http://purl.obolibrary.org/obo/CHEBI_10022', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Vomitoxin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Vomitoxin', 'http://purl.obolibrary.org/obo/CHEBI_10022', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(3α,7α)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] [{'@value': '3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one', 'http://purl.obolibrary.org/obo/CHEBI_10022', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Deoxynivalenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Deoxynivalenol', 'http://purl.obolibrary.org/obo/CHEBI_10022', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Desoxynivalenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Desoxynivalenol', 'http://purl.obolibrary.org/obo/CHEBI_10022', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'DON', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:DON', 'http://purl.obolibrary.org/obo/CHEBI_10022', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Dehydronivalenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Dehydronivalenol', 'http://purl.obolibrary.org/obo/CHEBI_10022', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Desoxynivalenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Desoxynivalenol', 'http://purl.obolibrary.org/obo/CHEBI_10022', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Vomitoxin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Vomitoxin', 'http://purl.obolibrary.org/obo/CHEBI_10022', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(3α,7α)-12,13-Epoxy-3,7,15-trihydroxytrichothec-9-en-8-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:51481-10-8', 'https://commonchemistry.cas.org/detail?cas_rn=51481-10-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 269144', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:51481-10-8', 'https://commonchemistry.cas.org/detail?cas_rn=51481-10-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Spiro[2,5-methano-1-benzoxepin-10,2′-oxirane], trichothec-9-en-8-one deriv.', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:51481-10-8', 'https://commonchemistry.cas.org/detail?cas_rn=51481-10-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Trichothec-9-en-8-one, 12,13-epoxy-3,7,15-trihydroxy-, (3α,7α)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:51481-10-8', 'https://commonchemistry.cas.org/detail?cas_rn=51481-10-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=(3α,7α)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one||dimension=Environmental > media=Ground > geography=Unknown; cas=51481-10-8; added Common Chemistry CAS names as altLabel: (3α,7α)-12,13-Epoxy-3,7,15-trihydroxytrichothec-9-en-8-one, NSC 269144, Spiro[2,5-methano-1-benzoxepin-10,2′-oxirane], trichothec-9-en-8-one deriv., Trichothec-9-en-8-one, 12,13-epoxy-3,7,15-trihydroxy-, (3α,7α)-; object_uuid=fo-52750e15bf41949a
cas_match_labels None {'51481-10-8': 'exactMatch'} group_key=(3α,7α)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi']; cas_sources={'51481-10-8': ['chebi']}; assigned CAS labels from group consensus; object_uuid=fo-52750e15bf41949a: {'51481-10-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
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  "name": null,
  "cas_numbers": [
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    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Urban (>1000 people/square mile)"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "34b75468-55a4-4bc9-a32d-dba6132cc616",
  "input_datasets": [
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      "source_metadata": {
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        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to air",
          "Emissions to urban air close to ground"
        ]
      }
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  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq",
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  "properties": {
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    "https://w3id.org/chemrof/smiles_string": {
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        "[H][C@@]12C=C(C)C(=O)[C@@H](O)[C@]1(CO)[C@@]1(C)C[C@@H](O)[C@@]([H])(O2)[C@@]12CO2"
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      "rdfs:label": "SMILES",
      "provenance": [
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