Brightway Flows 1.0
GitHub

Propylparaben

fo-9d24376453f069dd

Identity

Type
Neutral molecule
CAS
94-13-3
EC
202-307-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Propylparaben

Alternative labels

39

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QELSKZZBTMNZEB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
IUPAC name chemrof:IUPAC_name Propylparaben
Molecular formula chemrof:molecular_formula C10H12O3
Molecular mass chemrof:molecular_mass 180.203
Monoisotopic mass chemrof:monoisotopic_mass 180.07864, 180.078644
SMILES string chemrof:smiles_string CCCOC(=O)c1ccc(O)cc1

Known URLs

37

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=94-13-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:32063 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.098 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.121.057 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4022527 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB14177 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2307 enrich_references.chebi_xrefs
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=23515 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8511 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL194014 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/propyl-p-hydroxybenzoate enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z8IX2SC1OH enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0032574 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.943H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/D01422 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/D01422 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45619 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C76730 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7175 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018056 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/21492176 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21549034 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21608130 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21645663 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21705745 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21886901 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22165009 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22177019 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22220814 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22237600 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22249112 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22305363 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22337803 enrich_references.chebi_xrefs
reaxys reaxys:1103245 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/34706 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q511627 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Propylparaben enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
1ce03ed4-52a5-472c-9d93-35361b42fda3 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
d96d117e-5b7c-489b-a44a-6ca7e022cbf2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
49df446c-27fb-4af8-96e6-4679b77ae3e9 Environmental → Air → Indoor EF 3.1 kg 4
f5bf4a0e-ddaf-44ec-8def-7b6eda154e9b Environmental → Air → Long-term EF 3.1 kg 0
99676c63-6d56-4473-8902-4c7519053de8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
3dc58507-ce67-409e-bc4f-b14ad5fb0120 Environmental → Air → Unknown EF 3.1 kg 4
f84ca58b-7344-4272-9fb4-ecbc56615565 Environmental → Ground → Agricultural EF 3.1 kg 4
613e5445-f012-42e8-9cf3-7bf64115dea7 Environmental → Ground → Non-agricultural EF 3.1 kg 4
1dd6872c-f220-4807-b62f-8b1e655a0f5d Environmental → Ground → Unknown EF 3.1 kg 4
73d2aa48-76e1-4360-aef7-2c5da8af977f Environmental → Water → Long-term EF 3.1 kg 0
2bc683e8-32dd-46a2-872c-a5fba2fd4f0b Environmental → Water → Ocean EF 3.1 kg 4
dde2a943-b281-4587-8675-d5054ddc8fbc Environmental → Water → Surface water EF 3.1 kg 4
b14df94c-5baf-4c41-b989-cf7c2f64c10c Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-9d24376453f069dd",
  "prefLabel": [
    {
      "@value": "Propylparaben",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:94-13-3",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-Hydroxybenzoic acid propyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_32063"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-Hydroxybenzoic acid, propyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_32063"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Aseptoform P",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:94-13-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=94-13-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoic acid, 4-hydroxy-, propyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:94-13-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=94-13-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoic acid, p-hydroxy-, propyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:94-13-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=94-13-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bonomold OP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:94-13-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=94-13-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chemocide PK",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:94-13-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=94-13-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Mekkings P",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:94-13-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=94-13-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-Propyl 4-hydroxybenzoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_32063"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "n-Propyl p-hydroxybenzoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_32063"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "n-propyl paraben",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_32063"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "n-Propylparaben",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:94-13-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=94-13-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nipagin P",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:94-13-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=94-13-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nipasol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:94-13-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=94-13-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nipasol M",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:94-13-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=94-13-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nipasol P",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:94-13-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=94-13-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nipazol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:94-13-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=94-13-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Hydroxybenzoic acid propyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_32063"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "p-Hydroxybenzoic propyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_32063"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "p-Hydroxypropyl benzoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_32063"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "p-Oxybenzoesaeurepropylester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_32063"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Paraben P",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:94-13-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=94-13-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Paratexin P",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:94-13-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=94-13-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Paseptol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:94-13-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=94-13-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Preserval P",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:94-13-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=94-13-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propagin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:94-13-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=94-13-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propyl 4-hydroxybenzoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "Propyl Butex",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:94-13-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=94-13-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propyl Chemosept",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:94-13-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=94-13-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propyl p-hydroxybenzoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_32063"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "propyl p-oxybenzoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:94-13-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=94-13-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "propyl paraben",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_32063"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Propyl parahydroxybenzoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_32063"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Propylparasept",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:94-13-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=94-13-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pulvis conservans",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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