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Vanillin

UUID 97e208eb-2484-4eca-a7d9-484efe901a1c
Flow Object IDfo-11db75812b52f1e6
Source EF 3.1
Context Environmental → Air → Ground level → Urban (>1000 people/square mile)
CAS Numbers 121-33-5
EC Numbers 204-465-2
prefLabel
Language Value Provenance
en Vanillin
altLabel ⓘ
Language Value Provenance
en 3-methoxy-4-hydroxybenzaldehyde
en 4-Hydroxy-3-methoxy-benzaldehyde
en 4-Hydroxy-3-methoxybenzaldehyde
en 4-formyl-2-methoxyphenol
en 4-hydroxy-m-anisaldehyde
en Vanillaldehyde
en methylprotocatechuic aldehyde
en p-hydroxy-m-methoxybenzaldehyde
en p-vanillin
en vaniline
en vanillic aldehyde
en 2-Methoxy-4-formylphenol
en 4-Hydroxy-3-methoxy-benzyldehyde
en 4-Hydroxy-5-methoxybenzaldehyde
en 4-Hydroxy-<em>m</em>-anisaldehyde
en <em>m</em>-Methoxy-<em>p</em>-hydroxybenzaldehyde
en <em>p</em>-Hydroxy-<em>m</em>-methoxybenzaldehyde
en <em>p</em>-Vanillin
en Benzaldehyde, 4-hydroxy-3-methoxy-
en H 0264
en Lioxin
en NPLC 0145
en NSC 15351
en NSC 403658
en NSC 48383
en Rhovanil
en Vanillum
en W 310700-1KG
Definitions
Language Value Provenance
en A member of the class of benzaldehydes carrying methoxy and hydroxy substituents at positions 3 and 4 respectively.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey MWOOGOJBHIARFG-UHFFFAOYSA-N
InChI InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
IUPAC name 3-methoxy-4-oxidanyl-benzaldehyde, 4-hydroxy-3-methoxy-benzaldehyde, 4-hydroxy-3-methoxybenzaldehyde
Molecular formula C8H8O3
Molecular mass 152.149
Monoisotopic mass 152.04734
SMILES COC1=C(C=CC(=C1)C=O)O, [H]C(=O)c1ccc(O)c(OC)c1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 97e208eb-2484-4eca-a7d9-484efe901a1c vanillin

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 vanillin 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=vanillin||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=121-33-5; added Common Chemistry CAS names as altLabel: 2-Methoxy-4-formylphenol, 4-Hydroxy-3-methoxy-benzyldehyde, 4-Hydroxy-5-methoxybenzaldehyde, 4-Hydroxy-<em>m</em>-anisaldehyde, <em>m</em>-Methoxy-<em>p</em>-hydroxybenzaldehyde, <em>p</em>-Hydroxy-<em>m</em>-methoxybenzaldehyde, <em>p</em>-Vanillin, Benzaldehyde, 4-hydroxy-3-methoxy-, H 0264, Lioxin, NPLC 0145, NSC 15351, NSC 403658, NSC 48383, Rhovanil, Vanillum, W 310700-1KG; object_uuid=fo-11db75812b52f1e6
cas_match_labels 1 — consensus_match group_key=vanillin||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'121-33-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-11db75812b52f1e6: {'121-33-5': 'exactMatch'}

Context Attributes

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

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '3-methoxy-4-hydroxybenzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-methoxy-4-hydroxybenzaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_18346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Hydroxy-3-methoxy-benzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Hydroxy-3-methoxy-benzaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_18346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Hydroxy-3-methoxybenzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Hydroxy-3-methoxybenzaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_18346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-formyl-2-methoxyphenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-formyl-2-methoxyphenol', 'http://purl.obolibrary.org/obo/CHEBI_18346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-hydroxy-m-anisaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-hydroxy-m-anisaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_18346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Vanillaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Vanillaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_18346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methylprotocatechuic aldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methylprotocatechuic aldehyde', 'http://purl.obolibrary.org/obo/CHEBI_18346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-hydroxy-m-methoxybenzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-hydroxy-m-methoxybenzaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_18346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-vanillin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-vanillin', 'http://purl.obolibrary.org/obo/CHEBI_18346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'vaniline', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:vaniline', 'http://purl.obolibrary.org/obo/CHEBI_18346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'vanillic aldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:vanillic aldehyde', 'http://purl.obolibrary.org/obo/CHEBI_18346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '3-methoxy-4-hydroxybenzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-methoxy-4-hydroxybenzaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_18346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Hydroxy-3-methoxy-benzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Hydroxy-3-methoxy-benzaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_18346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Hydroxy-3-methoxybenzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Hydroxy-3-methoxybenzaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_18346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-formyl-2-methoxyphenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-formyl-2-methoxyphenol', 'http://purl.obolibrary.org/obo/CHEBI_18346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-hydroxy-m-anisaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-hydroxy-m-anisaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_18346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Vanillaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Vanillaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_18346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methylprotocatechuic aldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methylprotocatechuic aldehyde', 'http://purl.obolibrary.org/obo/CHEBI_18346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-hydroxy-m-methoxybenzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-hydroxy-m-methoxybenzaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_18346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-vanillin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-vanillin', 'http://purl.obolibrary.org/obo/CHEBI_18346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'vaniline', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:vaniline', 'http://purl.obolibrary.org/obo/CHEBI_18346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'vanillic aldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:vanillic aldehyde', 'http://purl.obolibrary.org/obo/CHEBI_18346', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Methoxy-4-formylphenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=121-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Hydroxy-3-methoxy-benzyldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=121-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Hydroxy-5-methoxybenzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=121-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Hydroxy-<em>m</em>-anisaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=121-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>m</em>-Methoxy-<em>p</em>-hydroxybenzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=121-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Hydroxy-<em>m</em>-methoxybenzaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=121-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Vanillin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=121-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzaldehyde, 4-hydroxy-3-methoxy-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=121-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'H 0264', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=121-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Lioxin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=121-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NPLC 0145', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=121-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 15351', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=121-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 403658', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=121-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 48383', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=121-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Rhovanil', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=121-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Vanillum', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=121-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'W 310700-1KG', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:121-33-5', 'https://commonchemistry.cas.org/detail?cas_rn=121-33-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=vanillin||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=121-33-5; added Common Chemistry CAS names as altLabel: 2-Methoxy-4-formylphenol, 4-Hydroxy-3-methoxy-benzyldehyde, 4-Hydroxy-5-methoxybenzaldehyde, 4-Hydroxy-<em>m</em>-anisaldehyde, <em>m</em>-Methoxy-<em>p</em>-hydroxybenzaldehyde, <em>p</em>-Hydroxy-<em>m</em>-methoxybenzaldehyde, <em>p</em>-Vanillin, Benzaldehyde, 4-hydroxy-3-methoxy-, H 0264, Lioxin, NPLC 0145, NSC 15351, NSC 403658, NSC 48383, Rhovanil, Vanillum, W 310700-1KG; object_uuid=fo-11db75812b52f1e6
cas_match_labels None {'121-33-5': 'exactMatch'} group_key=vanillin||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'121-33-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-11db75812b52f1e6: {'121-33-5': '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": [
    "121-33-5"
  ],
  "ec_numbers": [
    "204-465-2"
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    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Urban (>1000 people/square mile)"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 16.473
    },
    {
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      "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": 1.3583e-7
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    {
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      "name": "Human toxicity, non-cancer_organics",
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      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 1.3583e-7
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    {
      "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": 16.473
    }
  ],
  "source": "EF 3.1",
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  "properties": {
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      "@value": [
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      "rdfs:label": "Molecular formula",
      "provenance": [
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    "https://w3id.org/chemrof/smiles_string": {
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
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