← Back to consensus flow objects
Polychlorinated Biphenyls
| Flow Object ID | fo-a35d849feab40d64 | ||||||
|---|---|---|---|---|---|---|---|
| Type | Consensus | ||||||
| prefLabel |
|
||||||
| Alt Labels |
|
||||||
| CAS Numbers | 1336-36-3 | ||||||
| EC Numbers | 215-648-1 | ||||||
| Changes Applied | 26 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
LAXBNTIAOJWAOP-UHFFFAOYSA-N, ZHLICBPIXDOFFG-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C12H4Cl6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H, InChI=1S/C12H9Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
|
| IUPAC name |
1,2,3-trichloro-5-(3,4,5-trichlorophenyl)benzene, 1,2,3-tris(chloranyl)-5-[3,4,5-tris(chloranyl)phenyl]benzene, 1-chloranyl-2-phenyl-benzene, 1-chloro-2-phenyl-benzene, 1-chloro-2-phenylbenzene
|
| Molecular formula |
C12H4Cl6, C12H9Cl
|
| SMILES |
C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl, C1=CC=C(C=C1)C2=CC=CC=C2Cl
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J47.940C
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J79.027C
- https://chem.echa.europa.eu/100.016.478
- https://chem.echa.europa.eu/100.043.991
- https://chem.echa.europa.eu/100.151.972
- https://chem.echa.europa.eu/100.207.579
- https://commonchemistry.cas.org/detail?cas_rn=1336-36-3
- https://commonchemistry.cas.org/detail?cas_rn=2051-60-7
- https://commonchemistry.cas.org/detail?cas_rn=27323-18-8
- https://commonchemistry.cas.org/detail?cas_rn=32774-16-6
- https://comptox.epa.gov/dashboard/DTXSID2038314
- https://comptox.epa.gov/dashboard/DTXSID6040298
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=67354
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2E08SP4D3P
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/T2P1WH546D
- https://hmdb.ca/metabolites/HMDB0245066
- https://hmdb.ca/metabolites/HMDB0246011
- https://pubchem.ncbi.nlm.nih.gov/compound/249266
- https://pubchem.ncbi.nlm.nih.gov/compound/36231
- https://pubchem.ncbi.nlm.nih.gov/erg/#2315
- https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34269
- https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81517
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL14658
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL191745
- https://www.kegg.jp/entry/C14353
- https://www.kegg.jp/entry/C18115
- https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=54956
- https://www.wikidata.org/wiki/Q22137042
- https://www.wikidata.org/wiki/Q22137046
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
1f30af38… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 4 | 2 |
08a91e70… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
08a91e70… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 4 | 2 |
08a91e70… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 4 | 2 |
08a91e70… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
a8bbf0b9… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
08a91e70… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 4 | 2 |
08a91e70… |
EF 3.1 | kg | Environmental → Ground → Unknown | 4 | 2 |
fe0acd60… |
EF 3.1 | kg | Environmental → Water → Ocean | 4 | 2 |
08a91e70… |
EF 3.1 | kg | Environmental → Water → Surface water | 4 | 2 |
08a91e70… |
EF 3.1 | kg | Environmental → Water → Unknown | 4 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
08a91e70… |
altLabel |
— |
[{"@value":"1,1′-Biphenyl, chloro derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1336-36-3","https://commonchemistry.cas.org/detail?cas_rn=1336-36-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=polychlorinatedbiphenyls||dimension=Environmental > media=Ground > geography=Agricultural; cas=1336-36-3; added Common Chemistry CAS names as altLabel: 1,1′-Biphenyl, chloro derivs.; object_uuid=fo-a35d849feab40d64 |
08a91e70… |
cas_match_labels |
— |
{"1336-36-3":"exactMatch"} |
group_key=polychlorinatedbiphenyls||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'1336-36-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a35d849feab40d64: {'1336-36-3': 'exactMatch'} |
08a91e70… |
altLabel |
— |
[{"@value":"1,1′-Biphenyl, chloro derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1336-36-3","https://commonchemistry.cas.org/detail?cas_rn=1336-36-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=polychlorinatedbiphenyls||dimension=Environmental > media=Ground > geography=Agricultural; cas=1336-36-3; added Common Chemistry CAS names as altLabel: 1,1′-Biphenyl, chloro derivs.; object_uuid=fo-a35d849feab40d64 |
08a91e70… |
cas_match_labels |
— |
{"1336-36-3":"exactMatch"} |
group_key=polychlorinatedbiphenyls||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'1336-36-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a35d849feab40d64: {'1336-36-3': 'exactMatch'} |
08a91e70… |
altLabel |
— |
[{"@value":"1,1′-Biphenyl, chloro derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1336-36-3","https://commonchemistry.cas.org/detail?cas_rn=1336-36-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=polychlorinatedbiphenyls||dimension=Environmental > media=Ground > geography=Agricultural; cas=1336-36-3; added Common Chemistry CAS names as altLabel: 1,1′-Biphenyl, chloro derivs.; object_uuid=fo-a35d849feab40d64 |
08a91e70… |
cas_match_labels |
— |
{"1336-36-3":"exactMatch"} |
group_key=polychlorinatedbiphenyls||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'1336-36-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a35d849feab40d64: {'1336-36-3': 'exactMatch'} |
08a91e70… |
altLabel |
— |
[{"@value":"1,1′-Biphenyl, chloro derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1336-36-3","https://commonchemistry.cas.org/detail?cas_rn=1336-36-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=polychlorinatedbiphenyls||dimension=Environmental > media=Ground > geography=Agricultural; cas=1336-36-3; added Common Chemistry CAS names as altLabel: 1,1′-Biphenyl, chloro derivs.; object_uuid=fo-a35d849feab40d64 |
08a91e70… |
cas_match_labels |
— |
{"1336-36-3":"exactMatch"} |
group_key=polychlorinatedbiphenyls||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'1336-36-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a35d849feab40d64: {'1336-36-3': 'exactMatch'} |
08a91e70… |
altLabel |
— |
[{"@value":"1,1′-Biphenyl, chloro derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1336-36-3","https://commonchemistry.cas.org/detail?cas_rn=1336-36-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=polychlorinatedbiphenyls||dimension=Environmental > media=Ground > geography=Agricultural; cas=1336-36-3; added Common Chemistry CAS names as altLabel: 1,1′-Biphenyl, chloro derivs.; object_uuid=fo-a35d849feab40d64 |
08a91e70… |
cas_match_labels |
— |
{"1336-36-3":"exactMatch"} |
group_key=polychlorinatedbiphenyls||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'1336-36-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a35d849feab40d64: {'1336-36-3': 'exactMatch'} |
08a91e70… |
altLabel |
— |
[{"@value":"1,1′-Biphenyl, chloro derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1336-36-3","https://commonchemistry.cas.org/detail?cas_rn=1336-36-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=polychlorinatedbiphenyls||dimension=Environmental > media=Ground > geography=Agricultural; cas=1336-36-3; added Common Chemistry CAS names as altLabel: 1,1′-Biphenyl, chloro derivs.; object_uuid=fo-a35d849feab40d64 |
08a91e70… |
cas_match_labels |
— |
{"1336-36-3":"exactMatch"} |
group_key=polychlorinatedbiphenyls||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'1336-36-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a35d849feab40d64: {'1336-36-3': 'exactMatch'} |
08a91e70… |
altLabel |
— |
[{"@value":"1,1′-Biphenyl, chloro derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1336-36-3","https://commonchemistry.cas.org/detail?cas_rn=1336-36-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=polychlorinatedbiphenyls||dimension=Environmental > media=Ground > geography=Agricultural; cas=1336-36-3; added Common Chemistry CAS names as altLabel: 1,1′-Biphenyl, chloro derivs.; object_uuid=fo-a35d849feab40d64 |
08a91e70… |
cas_match_labels |
— |
{"1336-36-3":"exactMatch"} |
group_key=polychlorinatedbiphenyls||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'1336-36-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a35d849feab40d64: {'1336-36-3': 'exactMatch'} |
08a91e70… |
altLabel |
— |
[{"@value":"1,1′-Biphenyl, chloro derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1336-36-3","https://commonchemistry.cas.org/detail?cas_rn=1336-36-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=polychlorinatedbiphenyls||dimension=Environmental > media=Ground > geography=Agricultural; cas=1336-36-3; added Common Chemistry CAS names as altLabel: 1,1′-Biphenyl, chloro derivs.; object_uuid=fo-a35d849feab40d64 |
08a91e70… |
cas_match_labels |
— |
{"1336-36-3":"exactMatch"} |
group_key=polychlorinatedbiphenyls||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'1336-36-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a35d849feab40d64: {'1336-36-3': 'exactMatch'} |
08a91e70… |
altLabel |
— |
[{"@value":"1,1′-Biphenyl, chloro derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1336-36-3","https://commonchemistry.cas.org/detail?cas_rn=1336-36-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=polychlorinatedbiphenyls||dimension=Environmental > media=Ground > geography=Agricultural; cas=1336-36-3; added Common Chemistry CAS names as altLabel: 1,1′-Biphenyl, chloro derivs.; object_uuid=fo-a35d849feab40d64 |
08a91e70… |
cas_match_labels |
— |
{"1336-36-3":"exactMatch"} |
group_key=polychlorinatedbiphenyls||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'1336-36-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a35d849feab40d64: {'1336-36-3': 'exactMatch'} |
1f30af38… |
altLabel |
— |
[{"@value":"1,1′-Biphenyl, chloro derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1336-36-3","https://commonchemistry.cas.org/detail?cas_rn=1336-36-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=polychlorinatedbiphenyls||dimension=Environmental > media=Ground > geography=Agricultural; cas=1336-36-3; added Common Chemistry CAS names as altLabel: 1,1′-Biphenyl, chloro derivs.; object_uuid=fo-a35d849feab40d64 |
1f30af38… |
cas_match_labels |
— |
{"1336-36-3":"exactMatch"} |
group_key=polychlorinatedbiphenyls||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'1336-36-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a35d849feab40d64: {'1336-36-3': 'exactMatch'} |
4d9a8790… |
altLabel |
— |
[{"@value":"1,1′-Biphenyl, chloro derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1336-36-3","https://commonchemistry.cas.org/detail?cas_rn=1336-36-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=polychlorinatedbiphenyls||dimension=Environmental > media=Ground > geography=Agricultural; cas=1336-36-3; added Common Chemistry CAS names as altLabel: 1,1′-Biphenyl, chloro derivs.; object_uuid=fo-a35d849feab40d64 |
4d9a8790… |
cas_match_labels |
— |
{"1336-36-3":"exactMatch"} |
group_key=polychlorinatedbiphenyls||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'1336-36-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a35d849feab40d64: {'1336-36-3': 'exactMatch'} |
a8bbf0b9… |
altLabel |
— |
[{"@value":"1,1′-Biphenyl, chloro derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1336-36-3","https://commonchemistry.cas.org/detail?cas_rn=1336-36-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=polychlorinatedbiphenyls||dimension=Environmental > media=Ground > geography=Agricultural; cas=1336-36-3; added Common Chemistry CAS names as altLabel: 1,1′-Biphenyl, chloro derivs.; object_uuid=fo-a35d849feab40d64 |
a8bbf0b9… |
cas_match_labels |
— |
{"1336-36-3":"exactMatch"} |
group_key=polychlorinatedbiphenyls||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'1336-36-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a35d849feab40d64: {'1336-36-3': 'exactMatch'} |
fe0acd60… |
altLabel |
— |
[{"@value":"1,1′-Biphenyl, chloro derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1336-36-3","https://commonchemistry.cas.org/detail?cas_rn=1336-36-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=polychlorinatedbiphenyls||dimension=Environmental > media=Ground > geography=Agricultural; cas=1336-36-3; added Common Chemistry CAS names as altLabel: 1,1′-Biphenyl, chloro derivs.; object_uuid=fo-a35d849feab40d64 |
fe0acd60… |
cas_match_labels |
— |
{"1336-36-3":"exactMatch"} |
group_key=polychlorinatedbiphenyls||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory']; cas_sources={'1336-36-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a35d849feab40d64: {'1336-36-3': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-a35d849feab40d64",
"prefLabel": [
{
"@value": "Polychlorinated Biphenyls",
"@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": "1,1′-Biphenyl, chloro derivs.",
"@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": [
"C12H4Cl6",
"C12H9Cl"
],
"rdfs:label": "Molecular formula",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:36231",
"CID:249266"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"LAXBNTIAOJWAOP-UHFFFAOYSA-N",
"ZHLICBPIXDOFFG-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
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"prov:hadPrimarySource": [
"CID:36231",
"CID:249266"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl",
"C1=CC=C(C=C1)C2=CC=CC=C2Cl"
],
"rdfs:label": "SMILES",
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"CID:249266"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C12H4Cl6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H",
"InChI=1S/C12H9Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H"
],
"rdfs:label": "InChI",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "pubchem.props.InChI"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"1,2,3-trichloro-5-(3,4,5-trichlorophenyl)benzene",
"1,2,3-tris(chloranyl)-5-[3,4,5-tris(chloranyl)phenyl]benzene",
"1-chloranyl-2-phenyl-benzene",
"1-chloro-2-phenyl-benzene",
"1-chloro-2-phenylbenzene"
],
"rdfs:label": "IUPAC name",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:36231",
"CID:249266"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
}
},
"references": [
{
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"provenance": {
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"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "pubchem.identifiers[1336-36-3]"
}
},
{
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},
{
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{
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