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Bialaphos

UUID eb42cb81-34c7-4dcc-9aae-07837324ac70
Flow Object IDfo-36a873d2c655b814
Source EF 3.1
Context Environmental → Air → Ground level → Urban (>1000 people/square mile)
CAS Numbers 35597-43-4
prefLabel
Language Value Provenance
en Bialaphos
altLabel
Language Value Provenance
en (2S)-2-amino-4-(hydroxymethylphosphinyl)butanoyl-L-alanyl-L-alanine
en (2S)-2-amino-4-[hydroxy(methyl)phosphinoyl]butyryl-L-alanyl-L-alanine
en 2-Amino-4-(methylphosphino)butyrylalanylalanine
en Antibiotic SF 1293
en L-phosphinothricyl-L-alanyl-L-alanine
en N-{(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoyl}-L-alanyl-L-alanine
en PTT
en Phosphinothricylalanylalanine
en gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine
en phosphinothricin tripeptide
en (2<em>S</em>)-2-Amino-4-(hydroxymethylphosphinyl)butanoyl-<span class="text-smallcaps">L</smallcap>-alanyl-<smallcap>L</span>-alanine
en <span class="text-smallcaps">L</smallcap>-Alanine, (2<em>S</em>)-2-amino-4-(hydroxymethylphosphinyl)butanoyl-<smallcap>L</span>-alanyl-
en <span class="text-smallcaps">L</smallcap>-Alanine, 4-(hydroxymethylphosphinyl)-<smallcap>L</smallcap>-2-aminobutanoyl-<smallcap>L</span>-alanyl-
en Bilanaphos
en Herby
en Phosphinothricin-alanyl-alanine
en Phosphinothricyl-alanyl-alanine
en Bilanafos
Definitions
Language Value Provenance
en A tripeptide comprising one L-phosphinothricyl and two L-alanyl units joined in sequence.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey GINJFDRNADDBIN-FXQIFTODSA-N
InChI InChI=1S/C11H22N3O6P/c1-6(9(15)14-7(2)11(17)18)13-10(16)8(12)4-5-21(3,19)20/h6-8H,4-5,12H2,1-3H3,(H,13,16)(H,14,15)(H,17,18)(H,19,20)/t6-,7-,8-/m0/s1
IUPAC name (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]-1-oxobutyl]amino]-1-oxopropyl]amino]propanoic acid, (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoyl]amino]propanoyl]amino]propanoic acid, (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoyl]amino]propanoyl]amino]propionic acid, (2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-[methyl(oxidanyl)phosphoryl]butanoyl]amino]propanoyl]amino]propanoic acid
Molecular formula C11H22N3O6P
Molecular mass 323.286
Monoisotopic mass 323.12462
SMILES CC(C(=O)NC(C)C(=O)O)NC(=O)C(CCP(=O)(C)O)N, C[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCP(=O)(C)O)N, C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCP(C)(=O)O)C(=O)O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 eb42cb81-34c7-4dcc-9aae-07837324ac70 bilanafos

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 bilanafos Emissions/Emissions to air/Emissions to urban air close to ground kg exactMatch

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=bilanafos||dimension=Environmental > media=Ground > geography=Agricultural; cas=35597-43-4; added Common Chemistry CAS names as altLabel: (2<em>S</em>)-2-Amino-4-(hydroxymethylphosphinyl)butanoyl-<span class="text-smallcaps">L</smallcap>-alanyl-<smallcap>L</span>-alanine, <span class="text-smallcaps">L</smallcap>-Alanine, (2<em>S</em>)-2-amino-4-(hydroxymethylphosphinyl)butanoyl-<smallcap>L</span>-alanyl-, <span class="text-smallcaps">L</smallcap>-Alanine, 4-(hydroxymethylphosphinyl)-<smallcap>L</smallcap>-2-aminobutanoyl-<smallcap>L</span>-alanyl-, Bilanaphos, Herby, Phosphinothricin-alanyl-alanine, Phosphinothricyl-alanyl-alanine; object_uuid=fo-36a873d2c655b814
cas_match_labels 1 consensus_match group_key=bilanafos||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'35597-43-4': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-36a873d2c655b814: {'35597-43-4': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityUrban (>1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '(2S)-2-amino-4-(hydroxymethylphosphinyl)butanoyl-L-alanyl-L-alanine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2S)-2-amino-4-(hydroxymethylphosphinyl)butanoyl-L-alanyl-L-alanine', 'http://purl.obolibrary.org/obo/CHEBI_3088', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(2S)-2-amino-4-[hydroxy(methyl)phosphinoyl]butyryl-L-alanyl-L-alanine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2S)-2-amino-4-[hydroxy(methyl)phosphinoyl]butyryl-L-alanyl-L-alanine', 'http://purl.obolibrary.org/obo/CHEBI_3088', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Amino-4-(methylphosphino)butyrylalanylalanine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-Amino-4-(methylphosphino)butyrylalanylalanine', 'http://purl.obolibrary.org/obo/CHEBI_3088', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Antibiotic SF 1293', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Antibiotic SF 1293', 'http://purl.obolibrary.org/obo/CHEBI_3088', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Bialaphos', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Bialaphos', 'http://purl.obolibrary.org/obo/CHEBI_3088', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'L-phosphinothricyl-L-alanyl-L-alanine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:L-phosphinothricyl-L-alanyl-L-alanine', 'http://purl.obolibrary.org/obo/CHEBI_3088', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'N-{(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoyl}-L-alanyl-L-alanine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N-{(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoyl}-L-alanyl-L-alanine', 'http://purl.obolibrary.org/obo/CHEBI_3088', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'PTT', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:PTT', 'http://purl.obolibrary.org/obo/CHEBI_3088', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phosphinothricylalanylalanine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phosphinothricylalanylalanine', 'http://purl.obolibrary.org/obo/CHEBI_3088', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine', 'http://purl.obolibrary.org/obo/CHEBI_3088', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'phosphinothricin tripeptide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:phosphinothricin tripeptide', 'http://purl.obolibrary.org/obo/CHEBI_3088', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(2S)-2-amino-4-(hydroxymethylphosphinyl)butanoyl-L-alanyl-L-alanine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2S)-2-amino-4-(hydroxymethylphosphinyl)butanoyl-L-alanyl-L-alanine', 'http://purl.obolibrary.org/obo/CHEBI_3088', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(2S)-2-amino-4-[hydroxy(methyl)phosphinoyl]butyryl-L-alanyl-L-alanine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2S)-2-amino-4-[hydroxy(methyl)phosphinoyl]butyryl-L-alanyl-L-alanine', 'http://purl.obolibrary.org/obo/CHEBI_3088', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Amino-4-(methylphosphino)butyrylalanylalanine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-Amino-4-(methylphosphino)butyrylalanylalanine', 'http://purl.obolibrary.org/obo/CHEBI_3088', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Antibiotic SF 1293', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Antibiotic SF 1293', 'http://purl.obolibrary.org/obo/CHEBI_3088', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Bialaphos', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Bialaphos', 'http://purl.obolibrary.org/obo/CHEBI_3088', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'L-phosphinothricyl-L-alanyl-L-alanine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:L-phosphinothricyl-L-alanyl-L-alanine', 'http://purl.obolibrary.org/obo/CHEBI_3088', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'N-{(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoyl}-L-alanyl-L-alanine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N-{(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoyl}-L-alanyl-L-alanine', 'http://purl.obolibrary.org/obo/CHEBI_3088', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'PTT', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:PTT', 'http://purl.obolibrary.org/obo/CHEBI_3088', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phosphinothricylalanylalanine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phosphinothricylalanylalanine', 'http://purl.obolibrary.org/obo/CHEBI_3088', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine', 'http://purl.obolibrary.org/obo/CHEBI_3088', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'phosphinothricin tripeptide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:phosphinothricin tripeptide', 'http://purl.obolibrary.org/obo/CHEBI_3088', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(2<em>S</em>)-2-Amino-4-(hydroxymethylphosphinyl)butanoyl-<span class="text-smallcaps">L</smallcap>-alanyl-<smallcap>L</span>-alanine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:35597-43-4', 'https://commonchemistry.cas.org/detail?cas_rn=35597-43-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<span class="text-smallcaps">L</smallcap>-Alanine, (2<em>S</em>)-2-amino-4-(hydroxymethylphosphinyl)butanoyl-<smallcap>L</span>-alanyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:35597-43-4', 'https://commonchemistry.cas.org/detail?cas_rn=35597-43-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<span class="text-smallcaps">L</smallcap>-Alanine, 4-(hydroxymethylphosphinyl)-<smallcap>L</smallcap>-2-aminobutanoyl-<smallcap>L</span>-alanyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:35597-43-4', 'https://commonchemistry.cas.org/detail?cas_rn=35597-43-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bilanaphos', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:35597-43-4', 'https://commonchemistry.cas.org/detail?cas_rn=35597-43-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Herby', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:35597-43-4', 'https://commonchemistry.cas.org/detail?cas_rn=35597-43-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phosphinothricin-alanyl-alanine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:35597-43-4', 'https://commonchemistry.cas.org/detail?cas_rn=35597-43-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phosphinothricyl-alanyl-alanine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:35597-43-4', 'https://commonchemistry.cas.org/detail?cas_rn=35597-43-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=bilanafos||dimension=Environmental > media=Ground > geography=Agricultural; cas=35597-43-4; added Common Chemistry CAS names as altLabel: (2<em>S</em>)-2-Amino-4-(hydroxymethylphosphinyl)butanoyl-<span class="text-smallcaps">L</smallcap>-alanyl-<smallcap>L</span>-alanine, <span class="text-smallcaps">L</smallcap>-Alanine, (2<em>S</em>)-2-amino-4-(hydroxymethylphosphinyl)butanoyl-<smallcap>L</span>-alanyl-, <span class="text-smallcaps">L</smallcap>-Alanine, 4-(hydroxymethylphosphinyl)-<smallcap>L</smallcap>-2-aminobutanoyl-<smallcap>L</span>-alanyl-, Bilanaphos, Herby, Phosphinothricin-alanyl-alanine, Phosphinothricyl-alanyl-alanine; object_uuid=fo-36a873d2c655b814
cas_match_labels None {'35597-43-4': 'exactMatch'} group_key=bilanafos||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'35597-43-4': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-36a873d2c655b814: {'35597-43-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "eb42cb81-34c7-4dcc-9aae-07837324ac70",
  "name": null,
  "cas_numbers": [
    "35597-43-4"
  ],
  "ec_numbers": [],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Urban (>1000 people/square mile)"
  },
  "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": 1985.5
    },
    {
      "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": 1985.5
    }
  ],
  "source": "EF 3.1",
  "identifier": "eb42cb81-34c7-4dcc-9aae-07837324ac70",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
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      "list_version": "3.1",
      "source_flow_uuid": "eb42cb81-34c7-4dcc-9aae-07837324ac70",
      "source_flow_name": "bilanafos",
      "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 air",
          "Emissions to urban air close to ground"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Bialaphos",
      "@language": "en",
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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": "pubchem_readable_name",
    "cas_match_labels": "consensus_match"
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  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
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      "@value": [
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      "rdfs:label": "Molecular formula",
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    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
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      "rdfs:label": "SMILES",
      "provenance": [
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "@value": [
        "InChI=1S/C11H22N3O6P/c1-6(9(15)14-7(2)11(17)18)13-10(16)8(12)4-5-21(3,19)20/h6-8H,4-5,12H2,1-3H3,(H,13,16)(H,14,15)(H,17,18)(H,19,20)/t6-,7-,8-/m0/s1"
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      "rdfs:label": "InChI",
      "provenance": [
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    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
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      "rdfs:label": "InChIKey",
      "provenance": [
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