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Hexamethylene diisocyanate

UUID 08a91e70-3ddc-11dd-9461-0050c2490048
Deprecated yes
Replaced By 08a91e70-3ddc-11dd-9462-0050c2490048
Flow Object IDfo-d1c84a2ca4c3ea06
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 822-06-0
EC Numbers 212-485-8
prefLabel ⓘ
Language Value Provenance
en Hexamethylene diisocyanate
altLabel ⓘ
Language Value Provenance
en 1,6-Diisocyanatohexane
en 1,6-Hexanediol diisocyanate
en 1,6-Hexylene diisocyanate
en HDI
en HMDI
en Hexamethylene-1,6-diisocyanate
en Hexane 1,6-diisocyanate
en 1,6-Diisocyanatohexamethylene
en 1,6-Hexamethylene diisocyanate
en 1,6-Hexane diisocyanate
en CK 164
en Coronate HDI
en GMDI
en H 106273
en HMNCO
en HXT
en Hexane, 1,6-diisocyanato-
en Isocyanic acid, hexamethylene ester
en N 3390
en NSC 11687
Definitions
Language Value Provenance
en A diisocyanate compound with the two isocyanates linked by a hexane-1,6-diyl group.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey RRAMGCGOFNQTLD-UHFFFAOYSA-N
InChI InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2
IUPAC name 1,6-diisocyanatohexane
Molecular formula C8H12N2O2
Molecular mass 168.196
Monoisotopic mass 168.08988
SMILES C(CCCN=C=O)CCN=C=O, O=C=NCCCCCCN=C=O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 08a91e70-3ddc-11dd-9461-0050c2490048 1,6-hexamethylene diisocyanate

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=1,6-hexamethylenediisocyanate||dimension=Environmental > media=Ground > geography=Unknown; cas=822-06-0; added Common Chemistry CAS names as altLabel: 1,6-Diisocyanatohexamethylene, 1,6-Hexamethylene diisocyanate, 1,6-Hexane diisocyanate, CK 164, Coronate HDI, GMDI, H 106273, HMNCO, HXT, Hexane, 1,6-diisocyanato-, Isocyanic acid, hexamethylene ester, N 3390, NSC 11687; object_uuid=fo-d1c84a2ca4c3ea06
cas_match_labels 1 — consensus_match group_key=1,6-hexamethylenediisocyanate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'822-06-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d1c84a2ca4c3ea06: {'822-06-0': 'exactMatch'}
prefLabel 1 — consensus_match cas=822-06-0; cc_chebi_agreed_name='Hexamethylene diisocyanate'; object_uuid=fo-d1c84a2ca4c3ea06

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '1,6-hexamethylene Diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Hexamethylene diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:822-06-0'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=822-06-0; cc_chebi_agreed_name='Hexamethylene diisocyanate'; object_uuid=fo-d1c84a2ca4c3ea06
altLabel [{'@value': '1,6-Diisocyanatohexane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,6-Diisocyanatohexane', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,6-Hexanediol diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,6-Hexanediol diisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,6-Hexylene diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,6-Hexylene diisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'HDI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:HDI', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'HMDI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:HMDI', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Hexamethylene diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Hexamethylene diisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Hexamethylene-1,6-diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Hexamethylene-1,6-diisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Hexane 1,6-diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Hexane 1,6-diisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '1,6-Diisocyanatohexane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,6-Diisocyanatohexane', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,6-Hexanediol diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,6-Hexanediol diisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,6-Hexylene diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,6-Hexylene diisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'HDI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:HDI', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'HMDI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:HMDI', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Hexamethylene-1,6-diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Hexamethylene-1,6-diisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Hexane 1,6-diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Hexane 1,6-diisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,6-hexamethylene Diisocyanate', '@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=822-06-0; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-d1c84a2ca4c3ea06
altLabel [{'@value': '1,6-Diisocyanatohexane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,6-Diisocyanatohexane', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,6-Hexanediol diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,6-Hexanediol diisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,6-Hexylene diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,6-Hexylene diisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'HDI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:HDI', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'HMDI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:HMDI', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Hexamethylene-1,6-diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Hexamethylene-1,6-diisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Hexane 1,6-diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Hexane 1,6-diisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,6-hexamethylene Diisocyanate', '@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': '1,6-Diisocyanatohexane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,6-Diisocyanatohexane', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,6-Hexanediol diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,6-Hexanediol diisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,6-Hexylene diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,6-Hexylene diisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'HDI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:HDI', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'HMDI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:HMDI', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Hexamethylene-1,6-diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Hexamethylene-1,6-diisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Hexane 1,6-diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Hexane 1,6-diisocyanate', 'http://purl.obolibrary.org/obo/CHEBI_53578', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,6-Diisocyanatohexamethylene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:822-06-0', 'https://commonchemistry.cas.org/detail?cas_rn=822-06-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,6-Hexamethylene diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:822-06-0', 'https://commonchemistry.cas.org/detail?cas_rn=822-06-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,6-Hexane diisocyanate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:822-06-0', 'https://commonchemistry.cas.org/detail?cas_rn=822-06-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'CK 164', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:822-06-0', 'https://commonchemistry.cas.org/detail?cas_rn=822-06-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Coronate HDI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:822-06-0', 'https://commonchemistry.cas.org/detail?cas_rn=822-06-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'GMDI', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:822-06-0', 'https://commonchemistry.cas.org/detail?cas_rn=822-06-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'H 106273', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:822-06-0', 'https://commonchemistry.cas.org/detail?cas_rn=822-06-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'HMNCO', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:822-06-0', 'https://commonchemistry.cas.org/detail?cas_rn=822-06-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'HXT', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:822-06-0', 'https://commonchemistry.cas.org/detail?cas_rn=822-06-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexane, 1,6-diisocyanato-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:822-06-0', 'https://commonchemistry.cas.org/detail?cas_rn=822-06-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isocyanic acid, hexamethylene ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:822-06-0', 'https://commonchemistry.cas.org/detail?cas_rn=822-06-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'N 3390', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:822-06-0', 'https://commonchemistry.cas.org/detail?cas_rn=822-06-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 11687', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:822-06-0', 'https://commonchemistry.cas.org/detail?cas_rn=822-06-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=1,6-hexamethylenediisocyanate||dimension=Environmental > media=Ground > geography=Unknown; cas=822-06-0; added Common Chemistry CAS names as altLabel: 1,6-Diisocyanatohexamethylene, 1,6-Hexamethylene diisocyanate, 1,6-Hexane diisocyanate, CK 164, Coronate HDI, GMDI, H 106273, HMNCO, HXT, Hexane, 1,6-diisocyanato-, Isocyanic acid, hexamethylene ester, N 3390, NSC 11687; object_uuid=fo-d1c84a2ca4c3ea06
cas_match_labels None {'822-06-0': 'exactMatch'} group_key=1,6-hexamethylenediisocyanate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'822-06-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d1c84a2ca4c3ea06: {'822-06-0': '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": [
    "212-485-8"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "08a91e70-3ddc-11dd-9461-0050c2490048",
  "input_datasets": [
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  "source_refs": [
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      "source_flow_name": "1,6-hexamethylene diisocyanate",
      "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": "Hexamethylene diisocyanate",
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
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  ],
  "_sources": {
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    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
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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": {
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      "@value": [
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      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        }
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C(CCCN=C=O)CCN=C=O",
        "O=C=NCCCCCCN=C=O"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
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          "prov:wasDerivedFrom": "chebi.basic_property_values.smiles_string"
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        {
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          "prov:wasDerivedFrom": "pubchem.props.SMILES"
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2"
      ],
      "rdfs:label": "InChI",
      "provenance": [
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