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Azocyclotin

UUID f1da32fa-a5ed-49f0-94ba-d6b04c93bb04
Flow Object IDfo-ec4d90ba818f86de
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 41083-11-8
EC Numbers 255-209-1
prefLabel
Language Value Provenance
en Azocyclotin
altLabel
Language Value Provenance
en (1H-1,2,4-triazol-1-yl)tricyclohexylstannane
en (1H-1,2,4-triazolyl)tricyclohexylstannane
en Peropal
en tri(cyclohexyl)-1H-1,2,4-triazol-1-yltin
en tricyclohexyl(1H-1,2,4-triazol-1-yl)tin
en 1-(Tricyclohexylstannyl)-1<em>H</em>-1,2,4-triazole
en 1<em>H</em>-1,2,4-Triazole, 1-(tricyclohexylstannyl)-
en BAY-BUE 1452
en Caligur 500SC
en Tricyclotin
Definitions
Language Value Provenance
en A member of the class of triazoles that is 1,2,4-triazole substituted at position 1 by a tricyclohexylstannyl group.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey ONHBDDJJTDTLIR-UHFFFAOYSA-N
InChI InChI=1S/3C6H11.C2H2N3.Sn/c3*1-2-4-6-5-3-1;1-3-2-5-4-1;/h3*1H,2-6H2;1-2H;/q;;;-1;+1
IUPAC name tricyclohexyl(1,2,4-triazol-1-yl)stannane
Molecular formula C20H35N3Sn
Molecular mass 436.232
Monoisotopic mass 437.18529
SMILES C1CCC(CC1)[Sn](C2CCCCC2)(C3CCCCC3)N4C=NC=N4, c1nc[n]([Sn]([CH]2CCCCC2)([CH]2CCCCC2)[CH]2CCCCC2)n1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 f1da32fa-a5ed-49f0-94ba-d6b04c93bb04 1-(tricyclohexylstannyl)-1H-1,2,4-triazole

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 1-(tricyclohexylstannyl)-1H-1,2,4-triazole Emissions/Emissions to soil/Emissions to soil, unspecified 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=1-(tricyclohexylstannyl)-1h-1,2,4-triazole||dimension=Environmental > media=Water > water_body=Ocean; cas=41083-11-8; added Common Chemistry CAS names as altLabel: 1-(Tricyclohexylstannyl)-1<em>H</em>-1,2,4-triazole, 1<em>H</em>-1,2,4-Triazole, 1-(tricyclohexylstannyl)-, BAY-BUE 1452, Caligur 500SC, Tricyclotin; object_uuid=fo-ec4d90ba818f86de
cas_match_labels 1 consensus_match group_key=1-(tricyclohexylstannyl)-1h-1,2,4-triazole||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'41083-11-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ec4d90ba818f86de: {'41083-11-8': 'exactMatch'}
prefLabel 1 consensus_match cas=41083-11-8; cc_chebi_agreed_name='Azocyclotin'; object_uuid=fo-ec4d90ba818f86de

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '1-(tricyclohexylstannyl)-1H-1,2,4-triazole', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Azocyclotin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:41083-11-8'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=41083-11-8; cc_chebi_agreed_name='Azocyclotin'; object_uuid=fo-ec4d90ba818f86de
altLabel [{'@value': '(1H-1,2,4-triazol-1-yl)tricyclohexylstannane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1H-1,2,4-triazol-1-yl)tricyclohexylstannane', 'http://purl.obolibrary.org/obo/CHEBI_2959', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1H-1,2,4-triazolyl)tricyclohexylstannane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1H-1,2,4-triazolyl)tricyclohexylstannane', 'http://purl.obolibrary.org/obo/CHEBI_2959', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Azocyclotin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Azocyclotin', 'http://purl.obolibrary.org/obo/CHEBI_2959', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Peropal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Peropal', 'http://purl.obolibrary.org/obo/CHEBI_2959', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tri(cyclohexyl)-1H-1,2,4-triazol-1-yltin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tri(cyclohexyl)-1H-1,2,4-triazol-1-yltin', 'http://purl.obolibrary.org/obo/CHEBI_2959', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tricyclohexyl(1H-1,2,4-triazol-1-yl)tin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tricyclohexyl(1H-1,2,4-triazol-1-yl)tin', 'http://purl.obolibrary.org/obo/CHEBI_2959', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(1H-1,2,4-triazol-1-yl)tricyclohexylstannane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1H-1,2,4-triazol-1-yl)tricyclohexylstannane', 'http://purl.obolibrary.org/obo/CHEBI_2959', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1H-1,2,4-triazolyl)tricyclohexylstannane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1H-1,2,4-triazolyl)tricyclohexylstannane', 'http://purl.obolibrary.org/obo/CHEBI_2959', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Peropal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Peropal', 'http://purl.obolibrary.org/obo/CHEBI_2959', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tri(cyclohexyl)-1H-1,2,4-triazol-1-yltin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tri(cyclohexyl)-1H-1,2,4-triazol-1-yltin', 'http://purl.obolibrary.org/obo/CHEBI_2959', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tricyclohexyl(1H-1,2,4-triazol-1-yl)tin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tricyclohexyl(1H-1,2,4-triazol-1-yl)tin', 'http://purl.obolibrary.org/obo/CHEBI_2959', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-(tricyclohexylstannyl)-1H-1,2,4-triazole', '@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=41083-11-8; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-ec4d90ba818f86de
altLabel [{'@value': '(1H-1,2,4-triazol-1-yl)tricyclohexylstannane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1H-1,2,4-triazol-1-yl)tricyclohexylstannane', 'http://purl.obolibrary.org/obo/CHEBI_2959', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1H-1,2,4-triazolyl)tricyclohexylstannane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1H-1,2,4-triazolyl)tricyclohexylstannane', 'http://purl.obolibrary.org/obo/CHEBI_2959', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Peropal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Peropal', 'http://purl.obolibrary.org/obo/CHEBI_2959', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tri(cyclohexyl)-1H-1,2,4-triazol-1-yltin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tri(cyclohexyl)-1H-1,2,4-triazol-1-yltin', 'http://purl.obolibrary.org/obo/CHEBI_2959', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tricyclohexyl(1H-1,2,4-triazol-1-yl)tin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tricyclohexyl(1H-1,2,4-triazol-1-yl)tin', 'http://purl.obolibrary.org/obo/CHEBI_2959', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-(tricyclohexylstannyl)-1H-1,2,4-triazole', '@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': '(1H-1,2,4-triazol-1-yl)tricyclohexylstannane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1H-1,2,4-triazol-1-yl)tricyclohexylstannane', 'http://purl.obolibrary.org/obo/CHEBI_2959', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1H-1,2,4-triazolyl)tricyclohexylstannane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1H-1,2,4-triazolyl)tricyclohexylstannane', 'http://purl.obolibrary.org/obo/CHEBI_2959', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Peropal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Peropal', 'http://purl.obolibrary.org/obo/CHEBI_2959', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tri(cyclohexyl)-1H-1,2,4-triazol-1-yltin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tri(cyclohexyl)-1H-1,2,4-triazol-1-yltin', 'http://purl.obolibrary.org/obo/CHEBI_2959', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tricyclohexyl(1H-1,2,4-triazol-1-yl)tin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tricyclohexyl(1H-1,2,4-triazol-1-yl)tin', 'http://purl.obolibrary.org/obo/CHEBI_2959', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-(Tricyclohexylstannyl)-1<em>H</em>-1,2,4-triazole', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:41083-11-8', 'https://commonchemistry.cas.org/detail?cas_rn=41083-11-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1<em>H</em>-1,2,4-Triazole, 1-(tricyclohexylstannyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:41083-11-8', 'https://commonchemistry.cas.org/detail?cas_rn=41083-11-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'BAY-BUE 1452', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:41083-11-8', 'https://commonchemistry.cas.org/detail?cas_rn=41083-11-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Caligur 500SC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:41083-11-8', 'https://commonchemistry.cas.org/detail?cas_rn=41083-11-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tricyclotin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:41083-11-8', 'https://commonchemistry.cas.org/detail?cas_rn=41083-11-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=1-(tricyclohexylstannyl)-1h-1,2,4-triazole||dimension=Environmental > media=Water > water_body=Ocean; cas=41083-11-8; added Common Chemistry CAS names as altLabel: 1-(Tricyclohexylstannyl)-1<em>H</em>-1,2,4-triazole, 1<em>H</em>-1,2,4-Triazole, 1-(tricyclohexylstannyl)-, BAY-BUE 1452, Caligur 500SC, Tricyclotin; object_uuid=fo-ec4d90ba818f86de
cas_match_labels None {'41083-11-8': 'exactMatch'} group_key=1-(tricyclohexylstannyl)-1h-1,2,4-triazole||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'41083-11-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ec4d90ba818f86de: {'41083-11-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "f1da32fa-a5ed-49f0-94ba-d6b04c93bb04",
  "name": null,
  "cas_numbers": [
    "41083-11-8"
  ],
  "ec_numbers": [
    "255-209-1"
  ],
  "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": 69.482
    },
    {
      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
      "name": "Human toxicity, non-cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 5.046e-8
    },
    {
      "method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
      "name": "Human toxicity, non-cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 5.046e-8
    },
    {
      "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": 69.482
    }
  ],
  "source": "EF 3.1",
  "identifier": "f1da32fa-a5ed-49f0-94ba-d6b04c93bb04",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
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      "list_version": "3.1",
      "source_flow_uuid": "f1da32fa-a5ed-49f0-94ba-d6b04c93bb04",
      "source_flow_name": "1-(tricyclohexylstannyl)-1H-1,2,4-triazole",
      "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 soil, unspecified"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Azocyclotin",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "_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"
  },
  "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": [
        "C20H35N3Sn"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
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        {
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          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1CCC(CC1)[Sn](C2CCCCC2)(C3CCCCC3)N4C=NC=N4",
        "c1nc[n]([Sn]([CH]2CCCCC2)([CH]2CCCCC2)[CH]2CCCCC2)n1"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
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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/3C6H11.C2H2N3.Sn/c3*1-2-4-6-5-3-1;1-3-2-5-4-1;/h3*1H,2-6H2;1-2H;/q;;;-1;+1"
      ],
      "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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          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "pubchem.props.InChI"
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "ONHBDDJJTDTLIR-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
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          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
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        {
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          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        }
      ]
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "@value": [
        "436.232"
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