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Potassium (R)-2-(4-hydroxyphenoxy)propanoate

2D structure
Flow Object IDfo-443188e48bca6a23
TypeConsensus
prefLabel
Label Language
Potassium (R)-2-(4-hydroxyphenoxy)propanoate en
Alt Labels
Label Language Provenance
Potassium (r)-2-(4-hydroxy-phenoxy)-propionate en —
Propanoic acid, 2-(4-hydroxyphenoxy)-, potassium salt (1:1), (2<em>R</em>)- en —
CAS Numbers 1184648-08-5
EC Numbers 928-842-2
Changes Applied26

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow16f8a532-ff31-482a-9dd5-10d7ee3b724f

Properties

Predicate Value
InChIKey RHWBAORFZYOJII-FYZOBXCZSA-M, RHWBAORFZYOJII-UHFFFAOYSA-M
InChI InChI=1S/C9H10O4.K/c1-6(9(11)12)13-8-4-2-7(10)3-5-8;/h2-6,10H,1H3,(H,11,12);/q;+1/p-1/t6-;/m1./s1
IUPAC name Potassium (r)-2-(4-hydroxy-phenoxy)-propionate
Molecular formula C9H9KO4
Molecular mass 220.265
Monoisotopic mass 220.01379
SMILES C[C@@H](Oc1ccc(O)cc1)C(=O)[O-].[K+]

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
51af669c… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
fe966d1a… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
48435df9… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
447f32d0… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
16f8a532… EF 3.1 kg Environmental → Air → Unknown 2 2
4f8dbf19… EF 3.1 kg Environmental → Air → Unknown 2 2
72339652… EF 3.1 kg Environmental → Ground → Agricultural 2 2
29f212bf… EF 3.1 kg Environmental → Ground → Unknown 2 2
5e680862… EF 3.1 kg Environmental → Water → Ocean 2 2
310b1354… EF 3.1 kg Environmental → Water → Surface water 2 2
9da22323… EF 3.1 kg Environmental → Water → Unknown 2 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
16f8a532… altLabel — [{"@value":"Propanoic acid, 2-(4-hydroxyphenoxy)-, potassium salt (1:1), (2<em>R</em>)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1184648-08-5","https://commonchemistry.cas.org/detail?cas_rn=1184648-08-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=potassium(r)-2-(4-hydroxy-phenoxy)-propionate||dimension=Environmental > media=Air > indoor=Unknown; cas=1184648-08-5; added Common Chemistry CAS names as altLabel: Propanoic acid, 2-(4-hydroxyphenoxy)-, potassium salt (1:1), (2<em>R</em>)-; object_uuid=fo-443188e48bca6a23
16f8a532… cas_match_labels — {"1184648-08-5":"exactMatch"} group_key=potassium(r)-2-(4-hydroxy-phenoxy)-propionate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'1184648-08-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-443188e48bca6a23: {'1184648-08-5': 'exactMatch'}
29f212bf… altLabel — [{"@value":"Propanoic acid, 2-(4-hydroxyphenoxy)-, potassium salt (1:1), (2<em>R</em>)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1184648-08-5","https://commonchemistry.cas.org/detail?cas_rn=1184648-08-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=potassium(r)-2-(4-hydroxy-phenoxy)-propionate||dimension=Environmental > media=Air > indoor=Unknown; cas=1184648-08-5; added Common Chemistry CAS names as altLabel: Propanoic acid, 2-(4-hydroxyphenoxy)-, potassium salt (1:1), (2<em>R</em>)-; object_uuid=fo-443188e48bca6a23
29f212bf… cas_match_labels — {"1184648-08-5":"exactMatch"} group_key=potassium(r)-2-(4-hydroxy-phenoxy)-propionate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'1184648-08-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-443188e48bca6a23: {'1184648-08-5': 'exactMatch'}
2a366253… altLabel — [{"@value":"Propanoic acid, 2-(4-hydroxyphenoxy)-, potassium salt (1:1), (2<em>R</em>)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1184648-08-5","https://commonchemistry.cas.org/detail?cas_rn=1184648-08-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=potassium(r)-2-(4-hydroxy-phenoxy)-propionate||dimension=Environmental > media=Air > indoor=Unknown; cas=1184648-08-5; added Common Chemistry CAS names as altLabel: Propanoic acid, 2-(4-hydroxyphenoxy)-, potassium salt (1:1), (2<em>R</em>)-; object_uuid=fo-443188e48bca6a23
2a366253… cas_match_labels — {"1184648-08-5":"exactMatch"} group_key=potassium(r)-2-(4-hydroxy-phenoxy)-propionate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'1184648-08-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-443188e48bca6a23: {'1184648-08-5': 'exactMatch'}
310b1354… altLabel — [{"@value":"Propanoic acid, 2-(4-hydroxyphenoxy)-, potassium salt (1:1), (2<em>R</em>)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1184648-08-5","https://commonchemistry.cas.org/detail?cas_rn=1184648-08-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=potassium(r)-2-(4-hydroxy-phenoxy)-propionate||dimension=Environmental > media=Air > indoor=Unknown; cas=1184648-08-5; added Common Chemistry CAS names as altLabel: Propanoic acid, 2-(4-hydroxyphenoxy)-, potassium salt (1:1), (2<em>R</em>)-; object_uuid=fo-443188e48bca6a23
310b1354… cas_match_labels — {"1184648-08-5":"exactMatch"} group_key=potassium(r)-2-(4-hydroxy-phenoxy)-propionate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'1184648-08-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-443188e48bca6a23: {'1184648-08-5': 'exactMatch'}
447f32d0… altLabel — [{"@value":"Propanoic acid, 2-(4-hydroxyphenoxy)-, potassium salt (1:1), (2<em>R</em>)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1184648-08-5","https://commonchemistry.cas.org/detail?cas_rn=1184648-08-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=potassium(r)-2-(4-hydroxy-phenoxy)-propionate||dimension=Environmental > media=Air > indoor=Unknown; cas=1184648-08-5; added Common Chemistry CAS names as altLabel: Propanoic acid, 2-(4-hydroxyphenoxy)-, potassium salt (1:1), (2<em>R</em>)-; object_uuid=fo-443188e48bca6a23
447f32d0… cas_match_labels — {"1184648-08-5":"exactMatch"} group_key=potassium(r)-2-(4-hydroxy-phenoxy)-propionate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'1184648-08-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-443188e48bca6a23: {'1184648-08-5': 'exactMatch'}
48435df9… altLabel — [{"@value":"Propanoic acid, 2-(4-hydroxyphenoxy)-, potassium salt (1:1), (2<em>R</em>)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1184648-08-5","https://commonchemistry.cas.org/detail?cas_rn=1184648-08-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=potassium(r)-2-(4-hydroxy-phenoxy)-propionate||dimension=Environmental > media=Air > indoor=Unknown; cas=1184648-08-5; added Common Chemistry CAS names as altLabel: Propanoic acid, 2-(4-hydroxyphenoxy)-, potassium salt (1:1), (2<em>R</em>)-; object_uuid=fo-443188e48bca6a23
48435df9… cas_match_labels — {"1184648-08-5":"exactMatch"} group_key=potassium(r)-2-(4-hydroxy-phenoxy)-propionate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'1184648-08-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-443188e48bca6a23: {'1184648-08-5': 'exactMatch'}
4f8dbf19… altLabel — [{"@value":"Propanoic acid, 2-(4-hydroxyphenoxy)-, potassium salt (1:1), (2<em>R</em>)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1184648-08-5","https://commonchemistry.cas.org/detail?cas_rn=1184648-08-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=potassium(r)-2-(4-hydroxy-phenoxy)-propionate||dimension=Environmental > media=Air > indoor=Unknown; cas=1184648-08-5; added Common Chemistry CAS names as altLabel: Propanoic acid, 2-(4-hydroxyphenoxy)-, potassium salt (1:1), (2<em>R</em>)-; object_uuid=fo-443188e48bca6a23
4f8dbf19… cas_match_labels — {"1184648-08-5":"exactMatch"} group_key=potassium(r)-2-(4-hydroxy-phenoxy)-propionate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'1184648-08-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-443188e48bca6a23: {'1184648-08-5': 'exactMatch'}
51af669c… altLabel — [{"@value":"Propanoic acid, 2-(4-hydroxyphenoxy)-, potassium salt (1:1), (2<em>R</em>)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1184648-08-5","https://commonchemistry.cas.org/detail?cas_rn=1184648-08-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=potassium(r)-2-(4-hydroxy-phenoxy)-propionate||dimension=Environmental > media=Air > indoor=Unknown; cas=1184648-08-5; added Common Chemistry CAS names as altLabel: Propanoic acid, 2-(4-hydroxyphenoxy)-, potassium salt (1:1), (2<em>R</em>)-; object_uuid=fo-443188e48bca6a23
51af669c… cas_match_labels — {"1184648-08-5":"exactMatch"} group_key=potassium(r)-2-(4-hydroxy-phenoxy)-propionate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'1184648-08-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-443188e48bca6a23: {'1184648-08-5': 'exactMatch'}
5e680862… altLabel — [{"@value":"Propanoic acid, 2-(4-hydroxyphenoxy)-, potassium salt (1:1), (2<em>R</em>)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1184648-08-5","https://commonchemistry.cas.org/detail?cas_rn=1184648-08-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=potassium(r)-2-(4-hydroxy-phenoxy)-propionate||dimension=Environmental > media=Air > indoor=Unknown; cas=1184648-08-5; added Common Chemistry CAS names as altLabel: Propanoic acid, 2-(4-hydroxyphenoxy)-, potassium salt (1:1), (2<em>R</em>)-; object_uuid=fo-443188e48bca6a23
5e680862… cas_match_labels — {"1184648-08-5":"exactMatch"} group_key=potassium(r)-2-(4-hydroxy-phenoxy)-propionate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'1184648-08-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-443188e48bca6a23: {'1184648-08-5': 'exactMatch'}
72339652… altLabel — [{"@value":"Propanoic acid, 2-(4-hydroxyphenoxy)-, potassium salt (1:1), (2<em>R</em>)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1184648-08-5","https://commonchemistry.cas.org/detail?cas_rn=1184648-08-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=potassium(r)-2-(4-hydroxy-phenoxy)-propionate||dimension=Environmental > media=Air > indoor=Unknown; cas=1184648-08-5; added Common Chemistry CAS names as altLabel: Propanoic acid, 2-(4-hydroxyphenoxy)-, potassium salt (1:1), (2<em>R</em>)-; object_uuid=fo-443188e48bca6a23
72339652… cas_match_labels — {"1184648-08-5":"exactMatch"} group_key=potassium(r)-2-(4-hydroxy-phenoxy)-propionate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'1184648-08-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-443188e48bca6a23: {'1184648-08-5': 'exactMatch'}
9da22323… altLabel — [{"@value":"Propanoic acid, 2-(4-hydroxyphenoxy)-, potassium salt (1:1), (2<em>R</em>)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1184648-08-5","https://commonchemistry.cas.org/detail?cas_rn=1184648-08-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=potassium(r)-2-(4-hydroxy-phenoxy)-propionate||dimension=Environmental > media=Air > indoor=Unknown; cas=1184648-08-5; added Common Chemistry CAS names as altLabel: Propanoic acid, 2-(4-hydroxyphenoxy)-, potassium salt (1:1), (2<em>R</em>)-; object_uuid=fo-443188e48bca6a23
9da22323… cas_match_labels — {"1184648-08-5":"exactMatch"} group_key=potassium(r)-2-(4-hydroxy-phenoxy)-propionate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'1184648-08-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-443188e48bca6a23: {'1184648-08-5': 'exactMatch'}
fa78f0c8… altLabel — [{"@value":"Propanoic acid, 2-(4-hydroxyphenoxy)-, potassium salt (1:1), (2<em>R</em>)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1184648-08-5","https://commonchemistry.cas.org/detail?cas_rn=1184648-08-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=potassium(r)-2-(4-hydroxy-phenoxy)-propionate||dimension=Environmental > media=Air > indoor=Unknown; cas=1184648-08-5; added Common Chemistry CAS names as altLabel: Propanoic acid, 2-(4-hydroxyphenoxy)-, potassium salt (1:1), (2<em>R</em>)-; object_uuid=fo-443188e48bca6a23
fa78f0c8… cas_match_labels — {"1184648-08-5":"exactMatch"} group_key=potassium(r)-2-(4-hydroxy-phenoxy)-propionate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'1184648-08-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-443188e48bca6a23: {'1184648-08-5': 'exactMatch'}
fe966d1a… altLabel — [{"@value":"Propanoic acid, 2-(4-hydroxyphenoxy)-, potassium salt (1:1), (2<em>R</em>)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1184648-08-5","https://commonchemistry.cas.org/detail?cas_rn=1184648-08-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=potassium(r)-2-(4-hydroxy-phenoxy)-propionate||dimension=Environmental > media=Air > indoor=Unknown; cas=1184648-08-5; added Common Chemistry CAS names as altLabel: Propanoic acid, 2-(4-hydroxyphenoxy)-, potassium salt (1:1), (2<em>R</em>)-; object_uuid=fo-443188e48bca6a23
fe966d1a… cas_match_labels — {"1184648-08-5":"exactMatch"} group_key=potassium(r)-2-(4-hydroxy-phenoxy)-propionate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'1184648-08-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-443188e48bca6a23: {'1184648-08-5': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-443188e48bca6a23",
  "prefLabel": [
    {
      "@value": "Potassium (R)-2-(4-hydroxyphenoxy)propanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Potassium (r)-2-(4-hydroxy-phenoxy)-propionate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "Propanoic acid, 2-(4-hydroxyphenoxy)-, potassium salt (1:1), (2<em>R</em>)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C9H9KO4"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[C@@H](Oc1ccc(O)cc1)C(=O)[O-].[K+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "RHWBAORFZYOJII-FYZOBXCZSA-M",
        "RHWBAORFZYOJII-UHFFFAOYSA-M"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C(=O)[O-])OC1=CC=C(C=C1)O.[K+]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[C@@H](Oc1ccc(O)cc1)C(=O)[O-].[K+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "C[C@@H](Oc1ccc(O)cc1)C(=O)[O-].[K+]"
      ],
      "provenance": [
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        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[C@@H](Oc1ccc(O)cc1)C(=O)[O-].[K+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C9H10O4.K/c1-6(9(11)12)13-8-4-2-7(10)3-5-8;/h2-6,10H,1H3,(H,11,12);/q;+1/p-1/t6-;/m1./s1"
      ],
      "provenance": [
        {
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          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[C@@H](Oc1ccc(O)cc1)C(=O)[O-].[K+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Potassium (r)-2-(4-hydroxy-phenoxy)-propionate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Potassium (r)-2-(4-hydroxy-phenoxy)-propionate"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "220.265"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C(=O)[O-])OC1=CC=C(C=C1)O.[K+]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[C@@H](Oc1ccc(O)cc1)C(=O)[O-].[K+]"
          ]
        }
      ],
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        "220.01379"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C(=O)[O-])OC1=CC=C(C=C1)O.[K+]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C[C@@H](Oc1ccc(O)cc1)C(=O)[O-].[K+]"
          ]
        }
      ],
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.123.077",
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