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Fluthiacet-methyl

UUID 08a91e70-3ddc-11dd-a0b7-0050c2490048
Flow Object IDfo-868e4960f8624b8b
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 117337-19-6
prefLabel
Language Value Provenance
en Fluthiacet-methyl
altLabel ⓘ
Language Value Provenance
en Action
en CGA 248757
en CGA-248757
en KIH 9201
en KIH-9201
en methyl 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]acetate
en methyl [(2-chloro-4-fluoro-5-{[(1Xi)-3-oxo-5,6,7,8-tetrahydro-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene]amino}phenyl)sulfanyl]acetate
en methyl [(2-chloro-4-fluoro-5-{[(1Xi)-3-oxotetrahydro[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene]amino}phenyl)thio]acetate
en methyl {2-chloro-4-fluoro-5-[(EZ)-5,6,7,8-tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylideneamino]phenylthio}acetate
en 1<em>H</em>,3<em>H</em>-[1,3,4]Thiadiazolo[3,4-<em>a</em>]pyridazine, acetic acid deriv.
en Acetic acid, 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1<em>H</em>,3<em>H</em>-[1,3,4]thiadiazolo[3,4-<em>a</em>]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester
en Acetic acid, [[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1<em>H</em>,3<em>H</em>-[1,3,4]thiadiazolo[3,4-<em>a</em>]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester
en Appeal
en Blizzard
en Cadet
en Methyl 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1<em>H</em>,3<em>H</em>-[1,3,4]thiadiazolo[3,4-<em>a</em>]pyridazin-1-ylidene)amino]phenyl]thio]acetamide
Definitions
Language Value Provenance
en A methyl ester resulting from the formal condensation of the carboxy group of fluthiacet with methanol. A proherbicide for fluthiacet, it is used for the control of broad-leaved weeds in crops such as maize and soya.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey ZCNQYNHDVRPZIH-UHFFFAOYSA-N
InChI InChI=1S/C15H15ClFN3O3S2/c1-23-13(21)8-24-12-7-11(10(17)6-9(12)16)18-14-19-4-2-3-5-20(19)15(22)25-14/h6-7H,2-5,8H2,1H3
IUPAC name 2-[[2-chloro-4-fluoro-5-[(3-keto-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]acetic acid methyl ester, 2-[[2-chloro-4-fluoro-5-[(3-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]acetic acid methyl ester, methyl 2-[2-chloranyl-4-fluoranyl-5-[(3-oxidanylidene-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]sulfanylethanoate, methyl 2-[2-chloro-4-fluoro-5-[(3-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]sulfanylacetate
Molecular formula C15H15ClFN3O3S2
Molecular mass 403.888
Monoisotopic mass 403.02274
SMILES COC(=O)CSC1=C(C=C(C(=C1)N=C2N3CCCCN3C(=O)S2)F)Cl, COC(=O)CSc1cc(N=c2sc(=O)n3n2CCCC3)c(F)cc1Cl

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 08a91e70-3ddc-11dd-a0b7-0050c2490048 fluthiacet-methyl

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 fluthiacet-methyl Emissions/Emissions to soil/Emissions to agricultural soil 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=fluthiacet-methyl||dimension=Environmental > media=Ground > geography=Agricultural; cas=117337-19-6; added Common Chemistry CAS names as altLabel: 1<em>H</em>,3<em>H</em>-[1,3,4]Thiadiazolo[3,4-<em>a</em>]pyridazine, acetic acid deriv., Acetic acid, 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1<em>H</em>,3<em>H</em>-[1,3,4]thiadiazolo[3,4-<em>a</em>]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester, Acetic acid, [[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1<em>H</em>,3<em>H</em>-[1,3,4]thiadiazolo[3,4-<em>a</em>]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester, Appeal, Blizzard, Cadet, Methyl 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1<em>H</em>,3<em>H</em>-[1,3,4]thiadiazolo[3,4-<em>a</em>]pyridazin-1-ylidene)amino]phenyl]thio]acetamide; object_uuid=fo-868e4960f8624b8b
cas_match_labels 1 — consensus_match group_key=fluthiacet-methyl||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'117337-19-6': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-868e4960f8624b8b: {'117337-19-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': 'Action', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Action', 'http://purl.obolibrary.org/obo/CHEBI_5133', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'CGA 248757', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:CGA 248757', 'http://purl.obolibrary.org/obo/CHEBI_5133', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'CGA-248757', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:CGA-248757', 'http://purl.obolibrary.org/obo/CHEBI_5133', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'KIH 9201', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:KIH 9201', 'http://purl.obolibrary.org/obo/CHEBI_5133', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'KIH-9201', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:KIH-9201', 'http://purl.obolibrary.org/obo/CHEBI_5133', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methyl 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]acetate', 'http://purl.obolibrary.org/obo/CHEBI_5133', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methyl [(2-chloro-4-fluoro-5-{[(1Xi)-3-oxo-5,6,7,8-tetrahydro-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene]amino}phenyl)sulfanyl]acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl [(2-chloro-4-fluoro-5-{[(1Xi)-3-oxo-5,6,7,8-tetrahydro-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene]amino}phenyl)sulfanyl]acetate', 'http://purl.obolibrary.org/obo/CHEBI_5133', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methyl [(2-chloro-4-fluoro-5-{[(1Xi)-3-oxotetrahydro[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene]amino}phenyl)thio]acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl [(2-chloro-4-fluoro-5-{[(1Xi)-3-oxotetrahydro[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene]amino}phenyl)thio]acetate', 'http://purl.obolibrary.org/obo/CHEBI_5133', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methyl {2-chloro-4-fluoro-5-[(EZ)-5,6,7,8-tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylideneamino]phenylthio}acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl {2-chloro-4-fluoro-5-[(EZ)-5,6,7,8-tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylideneamino]phenylthio}acetate', 'http://purl.obolibrary.org/obo/CHEBI_5133', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'Action', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Action', 'http://purl.obolibrary.org/obo/CHEBI_5133', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'CGA 248757', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:CGA 248757', 'http://purl.obolibrary.org/obo/CHEBI_5133', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'CGA-248757', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:CGA-248757', 'http://purl.obolibrary.org/obo/CHEBI_5133', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'KIH 9201', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:KIH 9201', 'http://purl.obolibrary.org/obo/CHEBI_5133', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'KIH-9201', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:KIH-9201', 'http://purl.obolibrary.org/obo/CHEBI_5133', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methyl 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]acetate', 'http://purl.obolibrary.org/obo/CHEBI_5133', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methyl [(2-chloro-4-fluoro-5-{[(1Xi)-3-oxo-5,6,7,8-tetrahydro-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene]amino}phenyl)sulfanyl]acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl [(2-chloro-4-fluoro-5-{[(1Xi)-3-oxo-5,6,7,8-tetrahydro-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene]amino}phenyl)sulfanyl]acetate', 'http://purl.obolibrary.org/obo/CHEBI_5133', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methyl [(2-chloro-4-fluoro-5-{[(1Xi)-3-oxotetrahydro[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene]amino}phenyl)thio]acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl [(2-chloro-4-fluoro-5-{[(1Xi)-3-oxotetrahydro[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene]amino}phenyl)thio]acetate', 'http://purl.obolibrary.org/obo/CHEBI_5133', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methyl {2-chloro-4-fluoro-5-[(EZ)-5,6,7,8-tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylideneamino]phenylthio}acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl {2-chloro-4-fluoro-5-[(EZ)-5,6,7,8-tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylideneamino]phenylthio}acetate', 'http://purl.obolibrary.org/obo/CHEBI_5133', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1<em>H</em>,3<em>H</em>-[1,3,4]Thiadiazolo[3,4-<em>a</em>]pyridazine, acetic acid deriv.', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:117337-19-6', 'https://commonchemistry.cas.org/detail?cas_rn=117337-19-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid, 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1<em>H</em>,3<em>H</em>-[1,3,4]thiadiazolo[3,4-<em>a</em>]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:117337-19-6', 'https://commonchemistry.cas.org/detail?cas_rn=117337-19-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid, [[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1<em>H</em>,3<em>H</em>-[1,3,4]thiadiazolo[3,4-<em>a</em>]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:117337-19-6', 'https://commonchemistry.cas.org/detail?cas_rn=117337-19-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Appeal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:117337-19-6', 'https://commonchemistry.cas.org/detail?cas_rn=117337-19-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Blizzard', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:117337-19-6', 'https://commonchemistry.cas.org/detail?cas_rn=117337-19-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cadet', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:117337-19-6', 'https://commonchemistry.cas.org/detail?cas_rn=117337-19-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1<em>H</em>,3<em>H</em>-[1,3,4]thiadiazolo[3,4-<em>a</em>]pyridazin-1-ylidene)amino]phenyl]thio]acetamide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:117337-19-6', 'https://commonchemistry.cas.org/detail?cas_rn=117337-19-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=fluthiacet-methyl||dimension=Environmental > media=Ground > geography=Agricultural; cas=117337-19-6; added Common Chemistry CAS names as altLabel: 1<em>H</em>,3<em>H</em>-[1,3,4]Thiadiazolo[3,4-<em>a</em>]pyridazine, acetic acid deriv., Acetic acid, 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1<em>H</em>,3<em>H</em>-[1,3,4]thiadiazolo[3,4-<em>a</em>]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester, Acetic acid, [[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1<em>H</em>,3<em>H</em>-[1,3,4]thiadiazolo[3,4-<em>a</em>]pyridazin-1-ylidene)amino]phenyl]thio]-, methyl ester, Appeal, Blizzard, Cadet, Methyl 2-[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1<em>H</em>,3<em>H</em>-[1,3,4]thiadiazolo[3,4-<em>a</em>]pyridazin-1-ylidene)amino]phenyl]thio]acetamide; object_uuid=fo-868e4960f8624b8b
cas_match_labels None {'117337-19-6': 'exactMatch'} group_key=fluthiacet-methyl||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'117337-19-6': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-868e4960f8624b8b: {'117337-19-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "08a91e70-3ddc-11dd-a0b7-0050c2490048",
  "name": null,
  "cas_numbers": [
    "117337-19-6"
  ],
  "ec_numbers": [],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Agricultural"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
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      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 18166.0
    },
    {
      "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": 18166.0
    }
  ],
  "source": "EF 3.1",
  "identifier": "08a91e70-3ddc-11dd-a0b7-0050c2490048",
  "input_datasets": [
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      "source_flow_name": "fluthiacet-methyl",
      "source_metadata": {
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        "input_dataset": "EF 3.1",
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  "properties": {
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      "@value": [
        "C15H15ClFN3O3S2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
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