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Chloral Hydrate

UUID 4d9a8790-3ddd-11dd-9756-0050c2490048
Deprecated yes
Replaced By 4d9a8790-3ddd-11dd-9757-0050c2490048
Flow Object IDfo-243f79ec8433354c
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 302-17-0
EC Numbers 206-117-5
prefLabel
Language Value Provenance
en Chloral Hydrate
altLabel ⓘ
Language Value Provenance
en 1,1,1-trichloro-2,2-dihydroxyethane
en 1,1,1-trichloro-2,2-ethanediol
en 2,2,2-trichloro-1,1-ethanediol
en 2,2,2-trichloroethane-1,1-diol
en Aquachloral Supprettes
en Chloralhydrat
en Noctec
en Somnote
en Trichloracetaldehyd-hydrat
en chloral monohydrate
en knockout drops
en trichloroacetaldehyde hydrate
en 1,1-Ethanediol, 2,2,2-trichloro-
en Bi 3411
en Chloral, monohydrate
en Chloraldurat
en Dormal
en Escre
en Fagron
en Hydral
en Lorinal
en MeSH ID: D002697
en NSC 3210
en Nycoton
en Nycton
en Phaldrone
en Rectules
en SK Chloral hydrate
en Somnos
en Trawotox
en Trichloroacetaldehyde monohydrate
Definitions
Language Value Provenance
en An organochlorine compound that is the hydrate of trichloroacetaldehyde.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey RNFNDJAIBTYOQL-UHFFFAOYSA-N
InChI InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H
IUPAC name 2,2,2-trichloroethane-1,1-diol, 2,2,2-tris(chloranyl)ethane-1,1-diol
Molecular formula C2H3Cl3O2
Molecular mass 165.403
Monoisotopic mass 163.91986
SMILES C(C(Cl)(Cl)Cl)(O)O, OC(O)C(Cl)(Cl)Cl

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 4d9a8790-3ddd-11dd-9756-0050c2490048 chloral hydrate

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=chloralhydrate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=302-17-0; added Common Chemistry CAS names as altLabel: 1,1-Ethanediol, 2,2,2-trichloro-, Bi 3411, Chloral, monohydrate, Chloraldurat, Dormal, Escre, Fagron, Hydral, Lorinal, MeSH ID: D002697, NSC 3210, Nycoton, Nycton, Phaldrone, Rectules, SK Chloral hydrate, Somnos, Trawotox, Trichloroacetaldehyde monohydrate; object_uuid=fo-243f79ec8433354c
cas_match_labels 1 — consensus_match group_key=chloralhydrate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'302-17-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-243f79ec8433354c: {'302-17-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '1,1,1-trichloro-2,2-dihydroxyethane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,1,1-trichloro-2,2-dihydroxyethane', 'http://purl.obolibrary.org/obo/CHEBI_28142', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,1,1-trichloro-2,2-ethanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,1,1-trichloro-2,2-ethanediol', 'http://purl.obolibrary.org/obo/CHEBI_28142', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,2,2-trichloro-1,1-ethanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,2,2-trichloro-1,1-ethanediol', 'http://purl.obolibrary.org/obo/CHEBI_28142', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,2,2-trichloroethane-1,1-diol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,2,2-trichloroethane-1,1-diol', 'http://purl.obolibrary.org/obo/CHEBI_28142', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Aquachloral Supprettes', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Aquachloral Supprettes', 'http://purl.obolibrary.org/obo/CHEBI_28142', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Chloralhydrat', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Chloralhydrat', 'http://purl.obolibrary.org/obo/CHEBI_28142', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Noctec', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Noctec', 'http://purl.obolibrary.org/obo/CHEBI_28142', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Somnote', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Somnote', 'http://purl.obolibrary.org/obo/CHEBI_28142', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Trichloracetaldehyd-hydrat', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Trichloracetaldehyd-hydrat', 'http://purl.obolibrary.org/obo/CHEBI_28142', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'chloral monohydrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:chloral monohydrate', 'http://purl.obolibrary.org/obo/CHEBI_28142', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'knockout drops', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:knockout drops', 'http://purl.obolibrary.org/obo/CHEBI_28142', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'trichloroacetaldehyde hydrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:trichloroacetaldehyde hydrate', 'http://purl.obolibrary.org/obo/CHEBI_28142', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '1,1,1-trichloro-2,2-dihydroxyethane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,1,1-trichloro-2,2-dihydroxyethane', 'http://purl.obolibrary.org/obo/CHEBI_28142', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,1,1-trichloro-2,2-ethanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,1,1-trichloro-2,2-ethanediol', 'http://purl.obolibrary.org/obo/CHEBI_28142', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,2,2-trichloro-1,1-ethanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,2,2-trichloro-1,1-ethanediol', 'http://purl.obolibrary.org/obo/CHEBI_28142', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,2,2-trichloroethane-1,1-diol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,2,2-trichloroethane-1,1-diol', 'http://purl.obolibrary.org/obo/CHEBI_28142', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Aquachloral Supprettes', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Aquachloral Supprettes', 'http://purl.obolibrary.org/obo/CHEBI_28142', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Chloralhydrat', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Chloralhydrat', 'http://purl.obolibrary.org/obo/CHEBI_28142', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Noctec', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Noctec', 'http://purl.obolibrary.org/obo/CHEBI_28142', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Somnote', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Somnote', 'http://purl.obolibrary.org/obo/CHEBI_28142', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Trichloracetaldehyd-hydrat', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Trichloracetaldehyd-hydrat', 'http://purl.obolibrary.org/obo/CHEBI_28142', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'chloral monohydrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:chloral monohydrate', 'http://purl.obolibrary.org/obo/CHEBI_28142', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'knockout drops', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:knockout drops', 'http://purl.obolibrary.org/obo/CHEBI_28142', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'trichloroacetaldehyde hydrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:trichloroacetaldehyde hydrate', 'http://purl.obolibrary.org/obo/CHEBI_28142', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,1-Ethanediol, 2,2,2-trichloro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:302-17-0', 'https://commonchemistry.cas.org/detail?cas_rn=302-17-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bi 3411', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:302-17-0', 'https://commonchemistry.cas.org/detail?cas_rn=302-17-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Chloral, monohydrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:302-17-0', 'https://commonchemistry.cas.org/detail?cas_rn=302-17-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Chloraldurat', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:302-17-0', 'https://commonchemistry.cas.org/detail?cas_rn=302-17-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dormal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:302-17-0', 'https://commonchemistry.cas.org/detail?cas_rn=302-17-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Escre', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:302-17-0', 'https://commonchemistry.cas.org/detail?cas_rn=302-17-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Fagron', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:302-17-0', 'https://commonchemistry.cas.org/detail?cas_rn=302-17-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hydral', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:302-17-0', 'https://commonchemistry.cas.org/detail?cas_rn=302-17-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Lorinal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:302-17-0', 'https://commonchemistry.cas.org/detail?cas_rn=302-17-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'MeSH ID: D002697', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:302-17-0', 'https://commonchemistry.cas.org/detail?cas_rn=302-17-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 3210', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:302-17-0', 'https://commonchemistry.cas.org/detail?cas_rn=302-17-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Nycoton', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:302-17-0', 'https://commonchemistry.cas.org/detail?cas_rn=302-17-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Nycton', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:302-17-0', 'https://commonchemistry.cas.org/detail?cas_rn=302-17-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phaldrone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:302-17-0', 'https://commonchemistry.cas.org/detail?cas_rn=302-17-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Rectules', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:302-17-0', 'https://commonchemistry.cas.org/detail?cas_rn=302-17-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'SK Chloral hydrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:302-17-0', 'https://commonchemistry.cas.org/detail?cas_rn=302-17-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Somnos', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:302-17-0', 'https://commonchemistry.cas.org/detail?cas_rn=302-17-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Trawotox', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:302-17-0', 'https://commonchemistry.cas.org/detail?cas_rn=302-17-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Trichloroacetaldehyde monohydrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:302-17-0', 'https://commonchemistry.cas.org/detail?cas_rn=302-17-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=chloralhydrate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=302-17-0; added Common Chemistry CAS names as altLabel: 1,1-Ethanediol, 2,2,2-trichloro-, Bi 3411, Chloral, monohydrate, Chloraldurat, Dormal, Escre, Fagron, Hydral, Lorinal, MeSH ID: D002697, NSC 3210, Nycoton, Nycton, Phaldrone, Rectules, SK Chloral hydrate, Somnos, Trawotox, Trichloroacetaldehyde monohydrate; object_uuid=fo-243f79ec8433354c
cas_match_labels None {'302-17-0': 'exactMatch'} group_key=chloralhydrate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'302-17-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-243f79ec8433354c: {'302-17-0': '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": [
    "302-17-0"
  ],
  "ec_numbers": [
    "206-117-5"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "4d9a8790-3ddd-11dd-9756-0050c2490048",
  "input_datasets": [
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  "source_refs": [
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      "source_flow_uuid": "4d9a8790-3ddd-11dd-9756-0050c2490048",
      "source_flow_name": "chloral hydrate",
      "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 water",
          "Emissions to water, unspecified (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Chloral Hydrate",
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  ],
  "_sources": {
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    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
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  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unkn",
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  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
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      "@value": [
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      "rdfs:label": "Molecular formula",
      "provenance": [
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C(C(Cl)(Cl)Cl)(O)O",
        "OC(O)C(Cl)(Cl)Cl"
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      "rdfs:label": "SMILES",
      "provenance": [
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H"
      ],
      "rdfs:label": "InChI",
      "provenance": [
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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": [
        "RNFNDJAIBTYOQL-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
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