← Back to consensus flow objects
2,3,4-trichlorophenol
| Flow Object ID | fo-052b2b5e94d48f53 | ||||||
|---|---|---|---|---|---|---|---|
| Type | Consensus | ||||||
| prefLabel |
|
||||||
| Alt Labels |
|
||||||
| CAS Numbers | 15950-66-0 | ||||||
| EC Numbers | 240-083-2 | ||||||
| Changes Applied | 26 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
HSQFVBWFPBKHEB-UHFFFAOYSA-N, YPVXHRMUYMHMIT-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C20H20N2O4/c1-19(2)16-12-15(25-4)6-7-17(16)21(3)20(19)10-9-13-11-14(22(23)24)5-8-18(13)26-20/h5-12H,1-4H3, InChI=1S/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
|
| IUPAC name |
2,3,4-trichlorophenol, 2,3,4-tris(chloranyl)phenol, 5'-methoxy-1',3',3'-trimethyl-6-nitro-spiro[chromene-2,2'-indole], 5'-methoxy-1',3',3'-trimethyl-6-nitro-spiro[chromene-2,2'-indoline], 5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[1-benzopyran-2,2'-indole], 5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
|
| Molecular formula |
C20H20N2O4, C6H3Cl3O
|
| SMILES |
C1=CC(=C(C(=C1O)Cl)Cl)Cl, CC1(C2=C(C=CC(=C2)OC)N(C13C=CC4=C(O3)C=CC(=C4)[N+](=O)[O-])C)C
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J127.123G
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J286.868G
- https://chem.echa.europa.eu/100.036.424
- https://chem.echa.europa.eu/100.036.716
- https://chem.echa.europa.eu/100.042.434
- https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0588
- https://commonchemistry.cas.org/detail?cas_rn=15950-66-0
- https://commonchemistry.cas.org/detail?cas_rn=16331-96-7
- https://commonchemistry.cas.org/detail?cas_rn=25167-82-2
- https://comptox.epa.gov/dashboard/DTXSID00936815
- https://comptox.epa.gov/dashboard/DTXSID5026207
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8JWE1AV71F
- https://hmdb.ca/metabolites/HMDB0245423
- https://pubchem.ncbi.nlm.nih.gov/compound/27582
- https://pubchem.ncbi.nlm.nih.gov/compound/85986
- https://pubchem.ncbi.nlm.nih.gov/erg/#2020
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1341844
- https://www.wikidata.org/wiki/Q2024329
- https://www.wikidata.org/wiki/Q82913025
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
1dd86833… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 2 | 2 |
8216224f… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
93941f9a… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 2 |
ad35d9da… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 2 |
0d3314a7… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
580b576e… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
62b13b15… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 2 | 2 |
1647e5fa… |
EF 3.1 | kg | Environmental → Ground → Unknown | 2 | 2 |
08e5a78b… |
EF 3.1 | kg | Environmental → Water → Ocean | 2 | 2 |
f5bb5570… |
EF 3.1 | kg | Environmental → Water → Surface water | 2 | 2 |
0fc2a299… |
EF 3.1 | kg | Environmental → Water → Unknown | 2 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
08e5a78b… |
altLabel |
— |
[{"@value":"Phenol, 2,3,4-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:15950-66-0","https://commonchemistry.cas.org/detail?cas_rn=15950-66-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3,4-trichlorophenol||dimension=Environmental > media=Water > water_body=Ocean; cas=15950-66-0; added Common Chemistry CAS names as altLabel: Phenol, 2,3,4-trichloro-; object_uuid=fo-052b2b5e94d48f53 |
08e5a78b… |
cas_match_labels |
— |
{"15950-66-0":"exactMatch"} |
group_key=2,3,4-trichlorophenol||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'15950-66-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-052b2b5e94d48f53: {'15950-66-0': 'exactMatch'} |
0d3314a7… |
altLabel |
— |
[{"@value":"Phenol, 2,3,4-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:15950-66-0","https://commonchemistry.cas.org/detail?cas_rn=15950-66-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3,4-trichlorophenol||dimension=Environmental > media=Water > water_body=Ocean; cas=15950-66-0; added Common Chemistry CAS names as altLabel: Phenol, 2,3,4-trichloro-; object_uuid=fo-052b2b5e94d48f53 |
0d3314a7… |
cas_match_labels |
— |
{"15950-66-0":"exactMatch"} |
group_key=2,3,4-trichlorophenol||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'15950-66-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-052b2b5e94d48f53: {'15950-66-0': 'exactMatch'} |
0fc2a299… |
altLabel |
— |
[{"@value":"Phenol, 2,3,4-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:15950-66-0","https://commonchemistry.cas.org/detail?cas_rn=15950-66-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3,4-trichlorophenol||dimension=Environmental > media=Water > water_body=Ocean; cas=15950-66-0; added Common Chemistry CAS names as altLabel: Phenol, 2,3,4-trichloro-; object_uuid=fo-052b2b5e94d48f53 |
0fc2a299… |
cas_match_labels |
— |
{"15950-66-0":"exactMatch"} |
group_key=2,3,4-trichlorophenol||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'15950-66-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-052b2b5e94d48f53: {'15950-66-0': 'exactMatch'} |
1647e5fa… |
altLabel |
— |
[{"@value":"Phenol, 2,3,4-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:15950-66-0","https://commonchemistry.cas.org/detail?cas_rn=15950-66-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3,4-trichlorophenol||dimension=Environmental > media=Water > water_body=Ocean; cas=15950-66-0; added Common Chemistry CAS names as altLabel: Phenol, 2,3,4-trichloro-; object_uuid=fo-052b2b5e94d48f53 |
1647e5fa… |
cas_match_labels |
— |
{"15950-66-0":"exactMatch"} |
group_key=2,3,4-trichlorophenol||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'15950-66-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-052b2b5e94d48f53: {'15950-66-0': 'exactMatch'} |
1dd86833… |
altLabel |
— |
[{"@value":"Phenol, 2,3,4-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:15950-66-0","https://commonchemistry.cas.org/detail?cas_rn=15950-66-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3,4-trichlorophenol||dimension=Environmental > media=Water > water_body=Ocean; cas=15950-66-0; added Common Chemistry CAS names as altLabel: Phenol, 2,3,4-trichloro-; object_uuid=fo-052b2b5e94d48f53 |
1dd86833… |
cas_match_labels |
— |
{"15950-66-0":"exactMatch"} |
group_key=2,3,4-trichlorophenol||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'15950-66-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-052b2b5e94d48f53: {'15950-66-0': 'exactMatch'} |
580b576e… |
altLabel |
— |
[{"@value":"Phenol, 2,3,4-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:15950-66-0","https://commonchemistry.cas.org/detail?cas_rn=15950-66-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3,4-trichlorophenol||dimension=Environmental > media=Water > water_body=Ocean; cas=15950-66-0; added Common Chemistry CAS names as altLabel: Phenol, 2,3,4-trichloro-; object_uuid=fo-052b2b5e94d48f53 |
580b576e… |
cas_match_labels |
— |
{"15950-66-0":"exactMatch"} |
group_key=2,3,4-trichlorophenol||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'15950-66-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-052b2b5e94d48f53: {'15950-66-0': 'exactMatch'} |
62b13b15… |
altLabel |
— |
[{"@value":"Phenol, 2,3,4-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:15950-66-0","https://commonchemistry.cas.org/detail?cas_rn=15950-66-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3,4-trichlorophenol||dimension=Environmental > media=Water > water_body=Ocean; cas=15950-66-0; added Common Chemistry CAS names as altLabel: Phenol, 2,3,4-trichloro-; object_uuid=fo-052b2b5e94d48f53 |
62b13b15… |
cas_match_labels |
— |
{"15950-66-0":"exactMatch"} |
group_key=2,3,4-trichlorophenol||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'15950-66-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-052b2b5e94d48f53: {'15950-66-0': 'exactMatch'} |
769f40b1… |
altLabel |
— |
[{"@value":"Phenol, 2,3,4-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:15950-66-0","https://commonchemistry.cas.org/detail?cas_rn=15950-66-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3,4-trichlorophenol||dimension=Environmental > media=Water > water_body=Ocean; cas=15950-66-0; added Common Chemistry CAS names as altLabel: Phenol, 2,3,4-trichloro-; object_uuid=fo-052b2b5e94d48f53 |
769f40b1… |
cas_match_labels |
— |
{"15950-66-0":"exactMatch"} |
group_key=2,3,4-trichlorophenol||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'15950-66-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-052b2b5e94d48f53: {'15950-66-0': 'exactMatch'} |
8216224f… |
altLabel |
— |
[{"@value":"Phenol, 2,3,4-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:15950-66-0","https://commonchemistry.cas.org/detail?cas_rn=15950-66-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3,4-trichlorophenol||dimension=Environmental > media=Water > water_body=Ocean; cas=15950-66-0; added Common Chemistry CAS names as altLabel: Phenol, 2,3,4-trichloro-; object_uuid=fo-052b2b5e94d48f53 |
8216224f… |
cas_match_labels |
— |
{"15950-66-0":"exactMatch"} |
group_key=2,3,4-trichlorophenol||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'15950-66-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-052b2b5e94d48f53: {'15950-66-0': 'exactMatch'} |
93941f9a… |
altLabel |
— |
[{"@value":"Phenol, 2,3,4-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:15950-66-0","https://commonchemistry.cas.org/detail?cas_rn=15950-66-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3,4-trichlorophenol||dimension=Environmental > media=Water > water_body=Ocean; cas=15950-66-0; added Common Chemistry CAS names as altLabel: Phenol, 2,3,4-trichloro-; object_uuid=fo-052b2b5e94d48f53 |
93941f9a… |
cas_match_labels |
— |
{"15950-66-0":"exactMatch"} |
group_key=2,3,4-trichlorophenol||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'15950-66-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-052b2b5e94d48f53: {'15950-66-0': 'exactMatch'} |
ad35d9da… |
altLabel |
— |
[{"@value":"Phenol, 2,3,4-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:15950-66-0","https://commonchemistry.cas.org/detail?cas_rn=15950-66-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3,4-trichlorophenol||dimension=Environmental > media=Water > water_body=Ocean; cas=15950-66-0; added Common Chemistry CAS names as altLabel: Phenol, 2,3,4-trichloro-; object_uuid=fo-052b2b5e94d48f53 |
ad35d9da… |
cas_match_labels |
— |
{"15950-66-0":"exactMatch"} |
group_key=2,3,4-trichlorophenol||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'15950-66-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-052b2b5e94d48f53: {'15950-66-0': 'exactMatch'} |
e625a575… |
altLabel |
— |
[{"@value":"Phenol, 2,3,4-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:15950-66-0","https://commonchemistry.cas.org/detail?cas_rn=15950-66-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3,4-trichlorophenol||dimension=Environmental > media=Water > water_body=Ocean; cas=15950-66-0; added Common Chemistry CAS names as altLabel: Phenol, 2,3,4-trichloro-; object_uuid=fo-052b2b5e94d48f53 |
e625a575… |
cas_match_labels |
— |
{"15950-66-0":"exactMatch"} |
group_key=2,3,4-trichlorophenol||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'15950-66-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-052b2b5e94d48f53: {'15950-66-0': 'exactMatch'} |
f5bb5570… |
altLabel |
— |
[{"@value":"Phenol, 2,3,4-trichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:15950-66-0","https://commonchemistry.cas.org/detail?cas_rn=15950-66-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,3,4-trichlorophenol||dimension=Environmental > media=Water > water_body=Ocean; cas=15950-66-0; added Common Chemistry CAS names as altLabel: Phenol, 2,3,4-trichloro-; object_uuid=fo-052b2b5e94d48f53 |
f5bb5570… |
cas_match_labels |
— |
{"15950-66-0":"exactMatch"} |
group_key=2,3,4-trichlorophenol||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'15950-66-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-052b2b5e94d48f53: {'15950-66-0': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-052b2b5e94d48f53",
"prefLabel": [
{
"@value": "2,3,4-trichlorophenol",
"@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": "Phenol, 2,3,4-trichloro-",
"@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": [
"C20H20N2O4",
"C6H3Cl3O"
],
"rdfs:label": "Molecular formula",
"provenance": {
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"CID:85986"
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"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
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"@value": [
"HSQFVBWFPBKHEB-UHFFFAOYSA-N",
"YPVXHRMUYMHMIT-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
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"prov:wasDerivedFrom": "pubchem.props.InChIKey"
}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"C1=CC(=C(C(=C1O)Cl)Cl)Cl",
"CC1(C2=C(C=CC(=C2)OC)N(C13C=CC4=C(O3)C=CC(=C4)[N+](=O)[O-])C)C"
],
"rdfs:label": "SMILES",
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"CID:85986"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C20H20N2O4/c1-19(2)16-12-15(25-4)6-7-17(16)21(3)20(19)10-9-13-11-14(22(23)24)5-8-18(13)26-20/h5-12H,1-4H3",
"InChI=1S/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H"
],
"rdfs:label": "InChI",
"provenance": {
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],
"prov:wasDerivedFrom": "pubchem.props.InChI"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"2,3,4-trichlorophenol",
"2,3,4-tris(chloranyl)phenol",
"5'-methoxy-1',3',3'-trimethyl-6-nitro-spiro[chromene-2,2'-indole]",
"5'-methoxy-1',3',3'-trimethyl-6-nitro-spiro[chromene-2,2'-indoline]",
"5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[1-benzopyran-2,2'-indole]",
"5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]"
],
"rdfs:label": "IUPAC name",
"provenance": {
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"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
}
},
"references": [
{
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"provenance": {
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],
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}
},
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J286.868G",
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},
{
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{
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