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Ethyl Salicylate

UUID 7babfefd-d603-4f09-b34f-dd6ca311dd5a
Deprecated yes
Replaced By 68674a98-3d7a-4f23-abdd-792ef0fbfeb1
Flow Object IDfo-1a41603d71b2f99b
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 118-61-6
EC Numbers 204-265-5
prefLabel
Language Value Provenance
en Ethyl Salicylate
altLabel ⓘ
Language Value Provenance
en 2-Hydroxybenzoic acid ethyl ester
en 2-Hydroxyethylbenzoic acid
en Benzoic acid, 2-hydroxy-, ethyl ester
en Benzoic acid, hydroxy-, ethyl ester
en Ethyl 2-hydroxybenzoate
en Ethyl O-hydroxybenzoate
en Ethyl hydroxybenzoate
en Ethyl salicyclate
en FEMA 2458
en Mesotol
en Methyl salicylate
en O-(Ethoxycarbonyl)phenol
en Sal ether
en Sal ethyl
en Salicyclic acid, ethyl ester
en Salicylic acid, ethyl ester
en Salicylic ether
en Salicylic ethyl ester
en Salotan
en Salstan
en 2-Carboethoxyphenol
en 2-Ethoxycarbonylphenol
en <em>o</em>-(Ethoxycarbonyl)phenol
en Ethyl <em>o</em>-hydroxybenzoate
en NSC 8209
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey GYCKQBWUSACYIF-UHFFFAOYSA-N
InChI InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3
IUPAC name 2-hydroxybenzoic acid ethyl ester, ethyl 2-hydroxybenzoate, ethyl 2-oxidanylbenzoate
Molecular formula C9H10O3
Molecular mass 166.176
Monoisotopic mass 166.06299
SMILES CCOC(=O)C1=CC=CC=C1O, CCOC(=O)c1ccccc1O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 7babfefd-d603-4f09-b34f-dd6ca311dd5a ethyl salicylate

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=ethylsalicylate||dimension=Environmental > media=Air > strata=Unknown; cas=118-61-6; added Common Chemistry CAS names as altLabel: 2-Carboethoxyphenol, 2-Ethoxycarbonylphenol, <em>o</em>-(Ethoxycarbonyl)phenol, Ethyl <em>o</em>-hydroxybenzoate, NSC 8209; object_uuid=fo-1a41603d71b2f99b
cas_match_labels 1 — consensus_match group_key=ethylsalicylate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'118-61-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1a41603d71b2f99b: {'118-61-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '2-Hydroxybenzoic acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-Hydroxybenzoic acid ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Hydroxyethylbenzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-Hydroxyethylbenzoic acid', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Benzoic acid, 2-hydroxy-, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Benzoic acid, 2-hydroxy-, ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Benzoic acid, hydroxy-, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Benzoic acid, hydroxy-, ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl 2-hydroxybenzoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl 2-hydroxybenzoate', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl O-hydroxybenzoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl O-hydroxybenzoate', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl hydroxybenzoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl hydroxybenzoate', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl salicyclate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl salicyclate', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'FEMA 2458', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:FEMA 2458', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Mesotol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Mesotol', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Methyl salicylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Methyl salicylate', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O-(Ethoxycarbonyl)phenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O-(Ethoxycarbonyl)phenol', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Sal ether', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Sal ether', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Sal ethyl', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Sal ethyl', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Salicyclic acid, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Salicyclic acid, ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Salicylic acid, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Salicylic acid, ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Salicylic ether', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Salicylic ether', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Salicylic ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Salicylic ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Salotan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Salotan', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Salstan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Salstan', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '2-Hydroxybenzoic acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-Hydroxybenzoic acid ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Hydroxyethylbenzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-Hydroxyethylbenzoic acid', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Benzoic acid, 2-hydroxy-, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Benzoic acid, 2-hydroxy-, ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Benzoic acid, hydroxy-, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Benzoic acid, hydroxy-, ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl 2-hydroxybenzoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl 2-hydroxybenzoate', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl O-hydroxybenzoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl O-hydroxybenzoate', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl hydroxybenzoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl hydroxybenzoate', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl salicyclate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl salicyclate', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'FEMA 2458', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:FEMA 2458', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Mesotol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Mesotol', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Methyl salicylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Methyl salicylate', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O-(Ethoxycarbonyl)phenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O-(Ethoxycarbonyl)phenol', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Sal ether', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Sal ether', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Sal ethyl', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Sal ethyl', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Salicyclic acid, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Salicyclic acid, ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Salicylic acid, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Salicylic acid, ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Salicylic ether', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Salicylic ether', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Salicylic ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Salicylic ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Salotan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Salotan', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Salstan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Salstan', 'http://purl.obolibrary.org/obo/CHEBI_88839', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Carboethoxyphenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:118-61-6', 'https://commonchemistry.cas.org/detail?cas_rn=118-61-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Ethoxycarbonylphenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:118-61-6', 'https://commonchemistry.cas.org/detail?cas_rn=118-61-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>o</em>-(Ethoxycarbonyl)phenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:118-61-6', 'https://commonchemistry.cas.org/detail?cas_rn=118-61-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl <em>o</em>-hydroxybenzoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:118-61-6', 'https://commonchemistry.cas.org/detail?cas_rn=118-61-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 8209', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:118-61-6', 'https://commonchemistry.cas.org/detail?cas_rn=118-61-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=ethylsalicylate||dimension=Environmental > media=Air > strata=Unknown; cas=118-61-6; added Common Chemistry CAS names as altLabel: 2-Carboethoxyphenol, 2-Ethoxycarbonylphenol, <em>o</em>-(Ethoxycarbonyl)phenol, Ethyl <em>o</em>-hydroxybenzoate, NSC 8209; object_uuid=fo-1a41603d71b2f99b
cas_match_labels None {'118-61-6': 'exactMatch'} group_key=ethylsalicylate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'118-61-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1a41603d71b2f99b: {'118-61-6': '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": [
    "118-61-6"
  ],
  "ec_numbers": [
    "204-265-5"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "7babfefd-d603-4f09-b34f-dd6ca311dd5a",
  "input_datasets": [
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      "source_flow_name": "ethyl salicylate",
      "source_metadata": {
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        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to water",
          "Emissions to water, unspecified (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
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      "@value": "Ethyl Salicylate",
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  "_sources": {
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  "properties": {
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      "rdfs:label": "Molecular formula",
      "provenance": [
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      "rdfs:label": "SMILES",
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "@value": [
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      "rdfs:label": "InChI",
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "rdfs:label": "InChIKey",
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