Quaternium-15 trans-

← Back to consensus flows

UUID 0165378d-ed22-4d75-b0da-9b01296e1425

Deprecated yes

Replaced By b1c40fef-f7ff-440c-9dba-4af567c2173f

Flow Object ID fo-e60bac26ae13b1fc

Source EF 3.1

Context Environmental → Water → Unknown

CAS Numbers 4080-31-3

EC Numbers 223-805-0

prefLabel

Language	Value	Provenance
`en`	`Quaternium-15 trans-`

altLabel ⓘ

Language	Value	Provenance
`en`	`1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride`
`en`	`1-(3-chloro-2-propenyl)-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane chloride`
`en`	`1-[3-chloroprop-2-en-1-yl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1(3),(7)]decanium chloride`
`en`	`CTAC`
`en`	`Hexamethylenetetramine chloroallyl chloride`
`en`	`N-(3-Chloroallyl)hexaminium chloride`
`en`	`quaternium 15`
`en`	`1,3,5,7-Tetraazatricyclo[3.3.1.1<sup>3,7</sup>]decane, 3,5,7-triaza-1-azoniatricyclo[3.3.1.1<sup>3,7</sup>]decane deriv.`
`en`	`1-(3-Chloro-2-propenyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1<sup>3,7</sup>]decane chloride`
`en`	`1-(3-Chloroallyl)-1,3,5,7-tetraazaadamantan-1-iumchloride`
`en`	`1-(3-Chloroallyl)-3,5,7-triaza-1-azoniadamantane chloride`
`en`	`1-(3-Chloroallyl)-3,5,7-triaza-1-azoniumadamantane chloride`
`en`	`3,5,7-Triaza-1-azoniaadamantane, 1-(3-chloroallyl)-, chloride`
`en`	`3,5,7-Triaza-1-azoniatricyclo[3.3.1.1<sup>3,7</sup>]decane, 1-(3-chloro-2-propen-1-yl)-, chloride (1:1)`
`en`	`3,5,7-Triaza-1-azoniatricyclo[3.3.1.1<sup>3,7</sup>]decane, 1-(3-chloro-2-propenyl)-, chloride`
`en`	`3-(3′-Chloroallyl)hexamethylenetetraammonium chloride`
`en`	`<em>N</em>-(3-Chloroallyl)hexaminium chloride`
`en`	`Dowacil 200`
`en`	`Dowco 184`
`en`	`Dowicide Q`
`en`	`Dowicil 100`
`en`	`Dowicil 75`
`en`	`daoweixier 75`
`en`	`Methenamine 3-chloroallylochloride`

Definitions

Language	Value	Provenance
`en`	A quaternary ammonium salt derived from hexamethylenetetramine; used as a preservative in many cosmetics and industrial substances. Also acts as a disinfectant and allergenic agent.

References

Shared Properties

Predicate	Value
Formal charge	`0`
InChIKey	`UKHVLWKBNNSRRR-TYYBGVCCSA-M, UKHVLWKBNNSRRR-UHFFFAOYSA-M`
InChI	`InChI=1S/C9H16ClN4.ClH/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14;/h1-2H,3-9H2;1H/q+1;/p-1, InChI=1S/C9H16ClN4.ClH/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14;/h1-2H,3-9H2;1H/q+1;/p-1/b2-1+;`
IUPAC name	`1-[(E)-3-chloranylprop-2-enyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane chloride, 1-[(E)-3-chloroallyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane chloride, 1-[(E)-3-chloroprop-2-enyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane chloride`
Molecular formula	`C9H16Cl2N4, C9H16ClN4.Cl`
Molecular mass	`251.161`
Monoisotopic mass	`250.0752`
SMILES	`C1N2CN3CN1C[N+](C2)(C3)C/C=C/Cl.[Cl-], C1N2CN3CN1C[N+](C2)(C3)CC=CCl.[Cl-], [Cl-].[H]C(Cl)=C([H])C[N+]12CN3CN(CN(C3)C1)C2`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`0165378d-ed22-4d75-b0da-9b01296e1425`	methenamine 3-chloroallylochloride

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=methenamine3-chloroallylochloride\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=4080-31-3; added Common Chemistry CAS names as altLabel: 1,3,5,7-Tetraazatricyclo[3.3.1.1<sup>3,7</sup>]decane, 3,5,7-triaza-1-azoniatricyclo[3.3.1.1<sup>3,7</sup>]decane deriv., 1-(3-Chloro-2-propenyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1<sup>3,7</sup>]decane chloride, 1-(3-Chloroallyl)-1,3,5,7-tetraazaadamantan-1-iumchloride, 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniadamantane chloride, 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniumadamantane chloride, 3,5,7-Triaza-1-azoniaadamantane, 1-(3-chloroallyl)-, chloride, 3,5,7-Triaza-1-azoniatricyclo[3.3.1.1<sup>3,7</sup>]decane, 1-(3-chloro-2-propen-1-yl)-, chloride (1:1), 3,5,7-Triaza-1-azoniatricyclo[3.3.1.1<sup>3,7</sup>]decane, 1-(3-chloro-2-propenyl)-, chloride, 3-(3′-Chloroallyl)hexamethylenetetraammonium chloride, <em>N</em>-(3-Chloroallyl)hexaminium chloride, Dowacil 200, Dowco 184, Dowicide Q, Dowicil 100, Dowicil 75, daoweixier 75; object_uuid=fo-e60bac26ae13b1fc
`cas_match_labels`	1	`—`	consensus_match	group_key=methenamine3-chloroallylochloride\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'4080-31-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e60bac26ae13b1fc: {'4080-31-3': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	[{'@value': '1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride', 'http://purl.obolibrary.org/obo/CHEBI_59607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-(3-chloro-2-propenyl)-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-(3-chloro-2-propenyl)-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane chloride', 'http://purl.obolibrary.org/obo/CHEBI_59607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-[3-chloroprop-2-en-1-yl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1(3),(7)]decanium chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-[3-chloroprop-2-en-1-yl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1(3),(7)]decanium chloride', 'http://purl.obolibrary.org/obo/CHEBI_59607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'CTAC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:CTAC', 'http://purl.obolibrary.org/obo/CHEBI_59607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Hexamethylenetetramine chloroallyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Hexamethylenetetramine chloroallyl chloride', 'http://purl.obolibrary.org/obo/CHEBI_59607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'N-(3-Chloroallyl)hexaminium chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N-(3-Chloroallyl)hexaminium chloride', 'http://purl.obolibrary.org/obo/CHEBI_59607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'quaternium 15', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:quaternium 15', 'http://purl.obolibrary.org/obo/CHEBI_59607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}]	[{'@value': '1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride', 'http://purl.obolibrary.org/obo/CHEBI_59607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-(3-chloro-2-propenyl)-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-(3-chloro-2-propenyl)-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane chloride', 'http://purl.obolibrary.org/obo/CHEBI_59607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-[3-chloroprop-2-en-1-yl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1(3),(7)]decanium chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-[3-chloroprop-2-en-1-yl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.1(3),(7)]decanium chloride', 'http://purl.obolibrary.org/obo/CHEBI_59607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'CTAC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:CTAC', 'http://purl.obolibrary.org/obo/CHEBI_59607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Hexamethylenetetramine chloroallyl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Hexamethylenetetramine chloroallyl chloride', 'http://purl.obolibrary.org/obo/CHEBI_59607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'N-(3-Chloroallyl)hexaminium chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N-(3-Chloroallyl)hexaminium chloride', 'http://purl.obolibrary.org/obo/CHEBI_59607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'quaternium 15', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:quaternium 15', 'http://purl.obolibrary.org/obo/CHEBI_59607', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,3,5,7-Tetraazatricyclo[3.3.1.1<sup>3,7</sup>]decane, 3,5,7-triaza-1-azoniatricyclo[3.3.1.1<sup>3,7</sup>]decane deriv.', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4080-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=4080-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-(3-Chloro-2-propenyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1<sup>3,7</sup>]decane chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4080-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=4080-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-(3-Chloroallyl)-1,3,5,7-tetraazaadamantan-1-iumchloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4080-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=4080-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-(3-Chloroallyl)-3,5,7-triaza-1-azoniadamantane chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4080-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=4080-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-(3-Chloroallyl)-3,5,7-triaza-1-azoniumadamantane chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4080-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=4080-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,5,7-Triaza-1-azoniaadamantane, 1-(3-chloroallyl)-, chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4080-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=4080-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,5,7-Triaza-1-azoniatricyclo[3.3.1.1<sup>3,7</sup>]decane, 1-(3-chloro-2-propen-1-yl)-, chloride (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4080-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=4080-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,5,7-Triaza-1-azoniatricyclo[3.3.1.1<sup>3,7</sup>]decane, 1-(3-chloro-2-propenyl)-, chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4080-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=4080-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-(3′-Chloroallyl)hexamethylenetetraammonium chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4080-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=4080-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>-(3-Chloroallyl)hexaminium chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4080-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=4080-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dowacil 200', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4080-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=4080-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dowco 184', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4080-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=4080-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dowicide Q', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4080-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=4080-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dowicil 100', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4080-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=4080-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dowicil 75', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4080-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=4080-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'daoweixier 75', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4080-31-3', 'https://commonchemistry.cas.org/detail?cas_rn=4080-31-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=methenamine3-chloroallylochloride\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=4080-31-3; added Common Chemistry CAS names as altLabel: 1,3,5,7-Tetraazatricyclo[3.3.1.1<sup>3,7</sup>]decane, 3,5,7-triaza-1-azoniatricyclo[3.3.1.1<sup>3,7</sup>]decane deriv., 1-(3-Chloro-2-propenyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1<sup>3,7</sup>]decane chloride, 1-(3-Chloroallyl)-1,3,5,7-tetraazaadamantan-1-iumchloride, 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniadamantane chloride, 1-(3-Chloroallyl)-3,5,7-triaza-1-azoniumadamantane chloride, 3,5,7-Triaza-1-azoniaadamantane, 1-(3-chloroallyl)-, chloride, 3,5,7-Triaza-1-azoniatricyclo[3.3.1.1<sup>3,7</sup>]decane, 1-(3-chloro-2-propen-1-yl)-, chloride (1:1), 3,5,7-Triaza-1-azoniatricyclo[3.3.1.1<sup>3,7</sup>]decane, 1-(3-chloro-2-propenyl)-, chloride, 3-(3′-Chloroallyl)hexamethylenetetraammonium chloride, <em>N</em>-(3-Chloroallyl)hexaminium chloride, Dowacil 200, Dowco 184, Dowicide Q, Dowicil 100, Dowicil 75, daoweixier 75; object_uuid=fo-e60bac26ae13b1fc
`cas_match_labels`	`None`	`{'4080-31-3': 'exactMatch'}`	group_key=methenamine3-chloroallylochloride\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'4080-31-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e60bac26ae13b1fc: {'4080-31-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "0165378d-ed22-4d75-b0da-9b01296e1425",
  "name": null,
  "cas_numbers": [
    "4080-31-3"
  ],
  "ec_numbers": [
    "223-805-0"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "0165378d-ed22-4d75-b0da-9b01296e1425",
  "input_datasets": [
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      "source_flow_name": "methenamine 3-chloroallylochloride",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to water",
          "Emissions to water, unspecified (long-term)"
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      }
    }
  ],
  "prefLabel": [
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      "@value": "Quaternium-15 trans-",
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    "synonyms": "bootstrap_labels",
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    "properties": "enrich_references",
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  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C9H16Cl2N4",
        "C9H16ClN4.Cl"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
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    "https://w3id.org/chemrof/smiles_string": {
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