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Chlorantraniliprole

UUID 2a1290ba-2076-4eac-ae82-42ca83c6fe22
Flow Object IDfo-c5c3baa42ca87735
Source EF 3.1
Context Environmental → Air → High stack, >150 meters
CAS Numbers 500008-45-7
EC Numbers 610-489-8
prefLabel ⓘ
Language Value Provenance
en Chlorantraniliprole
altLabel ⓘ
Language Value Provenance
en 3-bromo-N-{4-chloro-2-methyl-6-[(methylamino)carbonyl]phenyl}-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide
en DPX-E2Y45
en Rynaxpyr
en 1<em>H</em>-Pyrazole-5-carboxamide, 3-bromo-<em>N</em>-[4-chloro-2-methyl-6-[(methylamino)carbonyl]phenyl]-1-(3-chloro-2-pyridinyl)-
en 3-Bromo-<em>N</em>-[4-chloro-2-methyl-6-[(methylamino)carbonyl]phenyl]-1-(3-chloro-2-pyridinyl)-1<em>H</em>-pyrazole-5-carboxamide
en Acelepryn
en Altacor
en Altacor 35WG
en Altriset
en Calteryx
en Coragen
en Coragen 20CS
en DKI 0001
en DPX-E 2Y45
en Dermacor
en Dermacor X 100
en E 2Y45
en Ferterra
en Prevathon
en Rynaxypyr
Definitions
Language Value Provenance
en A carboxamide resulting from the formal condensation of the carboxylic acid group of 3-bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid with the primary amino group of 2-amino-5-chloro-N,3-dimethylbenzamide. The first of the anthranilic diamide insecticides, it is a ryanodine receptor activator and is used to protect a wide variety of crops, including corn, cotton, grapes, rice and potatoes.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey PSOVNZZNOMJUBI-UHFFFAOYSA-N
InChI InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)
IUPAC name 3-bromanyl-N-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloranyl-2-pyridinyl)pyrazole-5-carboxamide, 3-bromo-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-5-pyrazolecarboxamide, 3-bromo-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide, 3-bromo-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridyl)pyrazole-5-carboxamide
Molecular formula C18H14BrCl2N5O2
Molecular mass 483.153
Monoisotopic mass 480.97079
SMILES CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)Cl, CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 2a1290ba-2076-4eac-ae82-42ca83c6fe22 3-bromo-n-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloropyridin-2-yl)-1h-pyrazole-5-carboxamide

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 3-bromo-n-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloropyridin-2-yl)-1h-pyrazole-5-carboxamide Emissions/Emissions to air/Emissions to non-urban air or from high stacks 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=3-bromo-n-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloropyridin-2-yl)-1h-pyrazole-5-carboxamide||dimension=Environmental > media=Water > water_body=Surface water; cas=500008-45-7; added Common Chemistry CAS names as altLabel: 1<em>H</em>-Pyrazole-5-carboxamide, 3-bromo-<em>N</em>-[4-chloro-2-methyl-6-[(methylamino)carbonyl]phenyl]-1-(3-chloro-2-pyridinyl)-, 3-Bromo-<em>N</em>-[4-chloro-2-methyl-6-[(methylamino)carbonyl]phenyl]-1-(3-chloro-2-pyridinyl)-1<em>H</em>-pyrazole-5-carboxamide, Acelepryn, Altacor, Altacor 35WG, Altriset, Calteryx, Coragen, Coragen 20CS, DKI 0001, DPX-E 2Y45, Dermacor, Dermacor X 100, E 2Y45, Ferterra, Prevathon, Rynaxypyr; object_uuid=fo-c5c3baa42ca87735
cas_match_labels 1 — consensus_match group_key=3-bromo-n-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloropyridin-2-yl)-1h-pyrazole-5-carboxamide||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'pubchem']; cas_sources={'500008-45-7': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c5c3baa42ca87735: {'500008-45-7': 'exactMatch'}
prefLabel 1 — consensus_match cas=500008-45-7; cc_chebi_agreed_name='Chlorantraniliprole'; object_uuid=fo-c5c3baa42ca87735

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataHigh stack, >150 meters

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '3-bromo-n-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloropyridin-2-yl)-1h-pyrazole-5-carboxamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Chlorantraniliprole', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:500008-45-7'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=500008-45-7; cc_chebi_agreed_name='Chlorantraniliprole'; object_uuid=fo-c5c3baa42ca87735
altLabel [{'@value': '3-bromo-N-{4-chloro-2-methyl-6-[(methylamino)carbonyl]phenyl}-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-bromo-N-{4-chloro-2-methyl-6-[(methylamino)carbonyl]phenyl}-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide', 'http://purl.obolibrary.org/obo/CHEBI_67113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'DPX-E2Y45', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:DPX-E2Y45', 'http://purl.obolibrary.org/obo/CHEBI_67113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Rynaxpyr', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Rynaxpyr', 'http://purl.obolibrary.org/obo/CHEBI_67113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '3-bromo-N-{4-chloro-2-methyl-6-[(methylamino)carbonyl]phenyl}-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-bromo-N-{4-chloro-2-methyl-6-[(methylamino)carbonyl]phenyl}-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide', 'http://purl.obolibrary.org/obo/CHEBI_67113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'DPX-E2Y45', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:DPX-E2Y45', 'http://purl.obolibrary.org/obo/CHEBI_67113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Rynaxpyr', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Rynaxpyr', 'http://purl.obolibrary.org/obo/CHEBI_67113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-bromo-n-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloropyridin-2-yl)-1h-pyrazole-5-carboxamide', '@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=500008-45-7; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-c5c3baa42ca87735
altLabel [{'@value': '3-bromo-N-{4-chloro-2-methyl-6-[(methylamino)carbonyl]phenyl}-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-bromo-N-{4-chloro-2-methyl-6-[(methylamino)carbonyl]phenyl}-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide', 'http://purl.obolibrary.org/obo/CHEBI_67113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'DPX-E2Y45', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:DPX-E2Y45', 'http://purl.obolibrary.org/obo/CHEBI_67113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Rynaxpyr', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Rynaxpyr', 'http://purl.obolibrary.org/obo/CHEBI_67113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-bromo-n-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloropyridin-2-yl)-1h-pyrazole-5-carboxamide', '@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': '3-bromo-N-{4-chloro-2-methyl-6-[(methylamino)carbonyl]phenyl}-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-bromo-N-{4-chloro-2-methyl-6-[(methylamino)carbonyl]phenyl}-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide', 'http://purl.obolibrary.org/obo/CHEBI_67113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'DPX-E2Y45', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:DPX-E2Y45', 'http://purl.obolibrary.org/obo/CHEBI_67113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Rynaxpyr', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Rynaxpyr', 'http://purl.obolibrary.org/obo/CHEBI_67113', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1<em>H</em>-Pyrazole-5-carboxamide, 3-bromo-<em>N</em>-[4-chloro-2-methyl-6-[(methylamino)carbonyl]phenyl]-1-(3-chloro-2-pyridinyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:500008-45-7', 'https://commonchemistry.cas.org/detail?cas_rn=500008-45-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Bromo-<em>N</em>-[4-chloro-2-methyl-6-[(methylamino)carbonyl]phenyl]-1-(3-chloro-2-pyridinyl)-1<em>H</em>-pyrazole-5-carboxamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:500008-45-7', 'https://commonchemistry.cas.org/detail?cas_rn=500008-45-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acelepryn', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:500008-45-7', 'https://commonchemistry.cas.org/detail?cas_rn=500008-45-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Altacor', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:500008-45-7', 'https://commonchemistry.cas.org/detail?cas_rn=500008-45-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Altacor 35WG', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:500008-45-7', 'https://commonchemistry.cas.org/detail?cas_rn=500008-45-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Altriset', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:500008-45-7', 'https://commonchemistry.cas.org/detail?cas_rn=500008-45-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Calteryx', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:500008-45-7', 'https://commonchemistry.cas.org/detail?cas_rn=500008-45-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Coragen', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:500008-45-7', 'https://commonchemistry.cas.org/detail?cas_rn=500008-45-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Coragen 20CS', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:500008-45-7', 'https://commonchemistry.cas.org/detail?cas_rn=500008-45-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'DKI 0001', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:500008-45-7', 'https://commonchemistry.cas.org/detail?cas_rn=500008-45-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'DPX-E 2Y45', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:500008-45-7', 'https://commonchemistry.cas.org/detail?cas_rn=500008-45-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dermacor', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:500008-45-7', 'https://commonchemistry.cas.org/detail?cas_rn=500008-45-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dermacor X 100', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:500008-45-7', 'https://commonchemistry.cas.org/detail?cas_rn=500008-45-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'E 2Y45', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:500008-45-7', 'https://commonchemistry.cas.org/detail?cas_rn=500008-45-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ferterra', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:500008-45-7', 'https://commonchemistry.cas.org/detail?cas_rn=500008-45-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Prevathon', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:500008-45-7', 'https://commonchemistry.cas.org/detail?cas_rn=500008-45-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Rynaxypyr', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:500008-45-7', 'https://commonchemistry.cas.org/detail?cas_rn=500008-45-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=3-bromo-n-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloropyridin-2-yl)-1h-pyrazole-5-carboxamide||dimension=Environmental > media=Water > water_body=Surface water; cas=500008-45-7; added Common Chemistry CAS names as altLabel: 1<em>H</em>-Pyrazole-5-carboxamide, 3-bromo-<em>N</em>-[4-chloro-2-methyl-6-[(methylamino)carbonyl]phenyl]-1-(3-chloro-2-pyridinyl)-, 3-Bromo-<em>N</em>-[4-chloro-2-methyl-6-[(methylamino)carbonyl]phenyl]-1-(3-chloro-2-pyridinyl)-1<em>H</em>-pyrazole-5-carboxamide, Acelepryn, Altacor, Altacor 35WG, Altriset, Calteryx, Coragen, Coragen 20CS, DKI 0001, DPX-E 2Y45, Dermacor, Dermacor X 100, E 2Y45, Ferterra, Prevathon, Rynaxypyr; object_uuid=fo-c5c3baa42ca87735
cas_match_labels None {'500008-45-7': 'exactMatch'} group_key=3-bromo-n-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloropyridin-2-yl)-1h-pyrazole-5-carboxamide||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'pubchem']; cas_sources={'500008-45-7': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c5c3baa42ca87735: {'500008-45-7': '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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  "ec_numbers": [
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    "media": "Air",
    "strata": "High stack, >150 meters"
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  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
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      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 6.7928e-8
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    {
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
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        "original_context": [
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          "Emissions to air",
          "Emissions to non-urban air or from high stacks"
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  "prefLabel": [
    {
      "@value": "Chlorantraniliprole",
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  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-hist15me",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C18H14BrCl2N5O2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
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