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(2-hydroxy-4-methoxyphenyl)(phenyl)methanone

fo-75ce7a2534f93c03

Identity

Type
Neutral molecule
CAS
131-57-7
EC
205-031-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for (2-hydroxy-4-methoxyphenyl)(phenyl)methanone

What it is used for

1

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI

Alternative labels

36

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DXGLGDHPHMLXJC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3
IUPAC name chemrof:IUPAC_name (2-hydroxy-4-methoxyphenyl)(phenyl)methanone
Molecular formula chemrof:molecular_formula C14H12O3
Molecular mass chemrof:molecular_mass 228.247
Monoisotopic mass chemrof:monoisotopic_mass 228.07864, 228.078644
SMILES string chemrof:smiles_string COc1ccc(C(=O)c2ccccc2)c(O)c1

Known URLs

45

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=131-57-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34283 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.575 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3022405 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB01428 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB01428 enrich_references.pubchem_identifier_url
drugcentral drugcentral:3412 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/3412 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=757260 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7778 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1625 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/95OOS7VE0Y enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0015497 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.562J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14285 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D05309 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14285 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D05309 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-3309 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43557 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C47646 enrich_references.pubchem_identifier_url
patent patent:US2773903 enrich_references.chebi_xrefs
patent patent:US2861104 enrich_references.chebi_xrefs
patent patent:US2861105 enrich_references.chebi_xrefs
patent patent:US3073866 enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA164742933 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1625 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/4632 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=042617 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11169173 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22721600 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26118430 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26167727 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26295590 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26487337 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26589946 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26686077 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26736174 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27085067 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27544106 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27796700 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28192168 enrich_references.chebi_xrefs
reaxys reaxys:1913145 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q518114 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Oxybenzone enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
c14df863-3684-438e-b60d-ce6a04b6663c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
dfe969a9-cd1d-48cc-b942-a55f23e72d5b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c79838a8-deae-41c2-8ebf-12cb0795b45e Environmental → Air → Indoor EF 3.1 kg 2
bf4096f9-d6bb-43f6-9302-a42c99027de0 Environmental → Air → Long-term EF 3.1 kg 0
6f0267fe-a93d-4cbc-9e0d-3801bc38ad3d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
d6e8bec5-dcfb-4a7c-8cbd-aaad2c0974dd Environmental → Air → Unknown EF 3.1 kg 2
407465bd-ef2e-4886-8f98-6178b445c444 Environmental → Ground → Agricultural EF 3.1 kg 2
4f12f76e-6186-428d-87af-d3a2bc4db66d Environmental → Ground → Non-agricultural EF 3.1 kg 2
95094ed1-a8f5-4f17-bec5-5428a3e009a6 Environmental → Ground → Unknown EF 3.1 kg 2
5ee24f32-edbd-47d8-88ce-16f24a7c9d85 Environmental → Water → Long-term EF 3.1 kg 0
51498c43-fe0b-40d3-9d2f-f85170440c29 Environmental → Water → Ocean EF 3.1 kg 2
efb235ff-368a-4e86-9cdb-f9602c40fa6d Environmental → Water → Surface water EF 3.1 kg 2
42d9b77d-0e54-4c61-8ccd-63225f4c35a7 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-75ce7a2534f93c03",
  "prefLabel": [
    {
      "@value": "(2-hydroxy-4-methoxyphenyl)(phenyl)methanone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(2-Hydroxy-4-methoxyphenyl)phenylmethanone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=131-57-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Benzoyl-5-methoxyphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_34283"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Hydroxy-4-methoxybenzophenone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_34283"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-Methoxy-2-hydroxybenzophenone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Aduvex 24",
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Advastab 45",
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      }
    },
    {
      "@value": "Anuvex",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzophenone 3",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=131-57-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzophenone, 2-hydroxy-4-methoxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:131-57-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=131-57-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzophenone-3",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Chemsorb BP 3",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:131-57-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=131-57-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chimassorb 90",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:131-57-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=131-57-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyasorb UV 9",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=131-57-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyasorb UV 9 Light Absorber",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:131-57-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=131-57-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Eversorb 11",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:131-57-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=131-57-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Jeescreen Benzophenone 3",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:131-57-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=131-57-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Kemisorb 11",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:131-57-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=131-57-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methanone, (2-hydroxy-4-methoxyphenyl)phenyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:131-57-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=131-57-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "MOB",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:131-57-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=131-57-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Neo Heliopan BB",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:131-57-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=131-57-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ongrostab HMB",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:131-57-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=131-57-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Onzone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:131-57-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=131-57-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "oxibenzona",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_34283"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Oxybenzon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:131-57-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=131-57-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "oxybenzone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_34283"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "oxybenzonum",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_34283"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Spectra-Sorb UV 9",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:131-57-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=131-57-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Speedblock UV 9",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:131-57-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=131-57-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sunscreen UV 15",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:131-57-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=131-57-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Syntase 62",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:131-57-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=131-57-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tinosorb B 3",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:131-57-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=131-57-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Uvasorb MET/C",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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