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Irgarol

UUID fe0acd60-3ddc-11dd-a52e-0050c2490048
Deprecated yes
Replaced By fe0acd60-3ddc-11dd-a526-0050c2490048
Flow Object IDfo-ee808c79d9987395
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 28159-98-0
EC Numbers 248-872-3
prefLabel
Language Value Provenance
en Irgarol
altLabel ⓘ
Language Value Provenance
en Cybutryne
en Irgarol 1051
en N-tert-butyl-N'-cyclopropyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine
en 1,3,5-Triazine-2,4-diamine, <em>N</em>-cyclopropyl-<em>N</em>′-(1,1-dimethylethyl)-6-(methylthio)-
en 1,3,5-Triazine-2,4-diamine, <em>N</em><sup>2</sup>-cyclopropyl-<em>N</em><sup>4</sup>-(1,1-dimethylethyl)-6-(methylthio)-
en 2-(<em>tert</em>-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-1,3,5-triazine
en 2-(<em>tert</em>-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-<em>s</em>-triazine
en 2-(Methylthio)-4-(<em>tert</em>-butylamino)-6-(cyclopropylamino)-<em>s</em>-triazine
en 2-<em>N</em>-<em>tert</em>-Butyl-4-<em>N</em>-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
en 2-Methylthio-4-<em>tert</em>-butylamino-6-cyclopropylamino S triazine
en 2-Methylthio-4-<em>tert</em>-butylamino-6-cyclopropylamino-[1,3,5]triazine
en 2-Methylthio-<em>4</em>-<em>t</em>-butylamino-6-cyclopropylamino-<em>s</em>-triazine
en <em>N</em>-Cyclopropyl-<em>N</em>′-(1,1-dimethylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine
en <em>N</em><sup>2</sup>-Cyclopropyl-<em>N</em><sup>4</sup>-(1,1-dimethylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine
en <em>s</em>-Triazine, 2-(<em>tert</em>-butylamino)-4-(cyclopropylamino)-6-(methylthio)-
en Cybutrin
en DP 2159
en Irgaguard A 2000
en Irgaguard D 1071
en Irgarol 1071
en Microban Additive IA 1
en Nuocide 1051
en SanAlga 1907
Definitions
Language Value Provenance
en A diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine carrying a N-tert-butyl, N'-cyclopropyl and a methylsulfanyl group at position 6.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey HDHLIWCXDDZUFH-UHFFFAOYSA-N
InChI InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)
IUPAC name 2-N-tert-butyl-4-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine, N2-tert-butyl-N4-cyclopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine, N2-tert-butyl-N4-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine, tert-butyl-[4-(cyclopropylamino)-6-(methylthio)-s-triazin-2-yl]amine
Molecular formula C11H19N5S
Molecular mass 253.375
Monoisotopic mass 253.13612
SMILES CC(C)(C)NC1=NC(=NC(=N1)NC2CC2)SC, CSc1nc(NC2CC2)nc(NC(C)(C)C)n1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 fe0acd60-3ddc-11dd-a52e-0050c2490048 irgarol

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=irgarol||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=28159-98-0; added Common Chemistry CAS names as altLabel: 1,3,5-Triazine-2,4-diamine, <em>N</em>-cyclopropyl-<em>N</em>′-(1,1-dimethylethyl)-6-(methylthio)-, 1,3,5-Triazine-2,4-diamine, <em>N</em><sup>2</sup>-cyclopropyl-<em>N</em><sup>4</sup>-(1,1-dimethylethyl)-6-(methylthio)-, 2-(<em>tert</em>-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-1,3,5-triazine, 2-(<em>tert</em>-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-<em>s</em>-triazine, 2-(Methylthio)-4-(<em>tert</em>-butylamino)-6-(cyclopropylamino)-<em>s</em>-triazine, 2-<em>N</em>-<em>tert</em>-Butyl-4-<em>N</em>-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine, 2-Methylthio-4-<em>tert</em>-butylamino-6-cyclopropylamino S triazine, 2-Methylthio-4-<em>tert</em>-butylamino-6-cyclopropylamino-[1,3,5]triazine, 2-Methylthio-<em>4</em>-<em>t</em>-butylamino-6-cyclopropylamino-<em>s</em>-triazine, <em>N</em>-Cyclopropyl-<em>N</em>′-(1,1-dimethylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine, <em>N</em><sup>2</sup>-Cyclopropyl-<em>N</em><sup>4</sup>-(1,1-dimethylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine, <em>s</em>-Triazine, 2-(<em>tert</em>-butylamino)-4-(cyclopropylamino)-6-(methylthio)-, Cybutrin, DP 2159, Irgaguard A 2000, Irgaguard D 1071, Irgarol 1071, Microban Additive IA 1, Nuocide 1051, SanAlga 1907; object_uuid=fo-ee808c79d9987395
cas_match_labels 1 — consensus_match group_key=irgarol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'28159-98-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ee808c79d9987395: {'28159-98-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': 'Cybutryne', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Cybutryne', 'http://purl.obolibrary.org/obo/CHEBI_5962', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Irgarol 1051', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Irgarol 1051', 'http://purl.obolibrary.org/obo/CHEBI_5962', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "N-tert-butyl-N'-cyclopropyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:N-tert-butyl-N'-cyclopropyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine", 'http://purl.obolibrary.org/obo/CHEBI_5962', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'Cybutryne', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Cybutryne', 'http://purl.obolibrary.org/obo/CHEBI_5962', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Irgarol 1051', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Irgarol 1051', 'http://purl.obolibrary.org/obo/CHEBI_5962', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "N-tert-butyl-N'-cyclopropyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:N-tert-butyl-N'-cyclopropyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine", 'http://purl.obolibrary.org/obo/CHEBI_5962', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,3,5-Triazine-2,4-diamine, <em>N</em>-cyclopropyl-<em>N</em>′-(1,1-dimethylethyl)-6-(methylthio)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28159-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=28159-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,3,5-Triazine-2,4-diamine, <em>N</em><sup>2</sup>-cyclopropyl-<em>N</em><sup>4</sup>-(1,1-dimethylethyl)-6-(methylthio)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28159-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=28159-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-(<em>tert</em>-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-1,3,5-triazine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28159-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=28159-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-(<em>tert</em>-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-<em>s</em>-triazine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28159-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=28159-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-(Methylthio)-4-(<em>tert</em>-butylamino)-6-(cyclopropylamino)-<em>s</em>-triazine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28159-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=28159-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-<em>N</em>-<em>tert</em>-Butyl-4-<em>N</em>-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28159-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=28159-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Methylthio-4-<em>tert</em>-butylamino-6-cyclopropylamino S triazine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28159-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=28159-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Methylthio-4-<em>tert</em>-butylamino-6-cyclopropylamino-[1,3,5]triazine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28159-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=28159-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Methylthio-<em>4</em>-<em>t</em>-butylamino-6-cyclopropylamino-<em>s</em>-triazine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28159-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=28159-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>-Cyclopropyl-<em>N</em>′-(1,1-dimethylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28159-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=28159-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em><sup>2</sup>-Cyclopropyl-<em>N</em><sup>4</sup>-(1,1-dimethylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28159-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=28159-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>s</em>-Triazine, 2-(<em>tert</em>-butylamino)-4-(cyclopropylamino)-6-(methylthio)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28159-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=28159-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cybutrin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28159-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=28159-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'DP 2159', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28159-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=28159-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Irgaguard A 2000', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28159-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=28159-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Irgaguard D 1071', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28159-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=28159-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Irgarol 1071', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28159-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=28159-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Microban Additive IA 1', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28159-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=28159-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Nuocide 1051', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28159-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=28159-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'SanAlga 1907', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28159-98-0', 'https://commonchemistry.cas.org/detail?cas_rn=28159-98-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=irgarol||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=28159-98-0; added Common Chemistry CAS names as altLabel: 1,3,5-Triazine-2,4-diamine, <em>N</em>-cyclopropyl-<em>N</em>′-(1,1-dimethylethyl)-6-(methylthio)-, 1,3,5-Triazine-2,4-diamine, <em>N</em><sup>2</sup>-cyclopropyl-<em>N</em><sup>4</sup>-(1,1-dimethylethyl)-6-(methylthio)-, 2-(<em>tert</em>-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-1,3,5-triazine, 2-(<em>tert</em>-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-<em>s</em>-triazine, 2-(Methylthio)-4-(<em>tert</em>-butylamino)-6-(cyclopropylamino)-<em>s</em>-triazine, 2-<em>N</em>-<em>tert</em>-Butyl-4-<em>N</em>-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine, 2-Methylthio-4-<em>tert</em>-butylamino-6-cyclopropylamino S triazine, 2-Methylthio-4-<em>tert</em>-butylamino-6-cyclopropylamino-[1,3,5]triazine, 2-Methylthio-<em>4</em>-<em>t</em>-butylamino-6-cyclopropylamino-<em>s</em>-triazine, <em>N</em>-Cyclopropyl-<em>N</em>′-(1,1-dimethylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine, <em>N</em><sup>2</sup>-Cyclopropyl-<em>N</em><sup>4</sup>-(1,1-dimethylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine, <em>s</em>-Triazine, 2-(<em>tert</em>-butylamino)-4-(cyclopropylamino)-6-(methylthio)-, Cybutrin, DP 2159, Irgaguard A 2000, Irgaguard D 1071, Irgarol 1071, Microban Additive IA 1, Nuocide 1051, SanAlga 1907; object_uuid=fo-ee808c79d9987395
cas_match_labels None {'28159-98-0': 'exactMatch'} group_key=irgarol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'28159-98-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ee808c79d9987395: {'28159-98-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "fe0acd60-3ddc-11dd-a52e-0050c2490048",
  "name": null,
  "cas_numbers": [
    "28159-98-0"
  ],
  "ec_numbers": [
    "248-872-3"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 134650.0
    },
    {
      "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": 134650.0
    }
  ],
  "source": "EF 3.1",
  "identifier": "fe0acd60-3ddc-11dd-a52e-0050c2490048",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
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      "list_version": "3.1",
      "source_flow_uuid": "fe0acd60-3ddc-11dd-a52e-0050c2490048",
      "source_flow_name": "irgarol",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to soil",
          "Emissions to non-agricultural soil"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Irgarol",
      "@language": "en",
      "source": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "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-grou-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": [
        "C11H19N5S"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
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          "prov:hadPrimarySource": [
            "CID:91590"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(C)(C)NC1=NC(=NC(=N1)NC2CC2)SC",
        "CSc1nc(NC2CC2)nc(NC(C)(C)C)n1"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
        {
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          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_5962"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.smiles_string"
        },
        {
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          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)"
      ],
      "rdfs:label": "InChI",
      "provenance": [
        {
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          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_string"
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