← Back to consensus flow objects
Diethylbenzene
| Flow Object ID | fo-2b08ba4a94ba3fe5 | ||||||
|---|---|---|---|---|---|---|---|
| Type | Consensus | ||||||
| prefLabel |
|
||||||
| Alt Labels |
|
||||||
| CAS Numbers | 25340-17-4 | ||||||
| EC Numbers | 246-874-9 | ||||||
| Changes Applied | 26 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
AFZZYIJIWUTJFO-UHFFFAOYSA-N, DSNHSQKRULAAEI-UHFFFAOYSA-N, KVNYFPKFSJIPBJ-UHFFFAOYSA-N, WFPVGKJITDSUFW-UHFFFAOYSA-N
|
| InChI |
InChI=1S/3C10H14/c1-3-9-5-7-10(4-2)8-6-9;1-3-9-6-5-7-10(4-2)8-9;1-3-9-7-5-6-8-10(9)4-2/h3*5-8H,3-4H2,1-2H3, InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3, InChI=1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3, InChI=1S/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H3
|
| IUPAC name |
1,2-diethylbenzene, 1,2-diethylbenzene;1,3-diethylbenzene;1,4-diethylbenzene, 1,3-diethylbenzene, 1,4-diethylbenzene
|
| Molecular formula |
C10H14, C30H42
|
| SMILES |
CCC1=CC(=CC=C1)CC, CCC1=CC=C(C=C1)CC, CCC1=CC=C(C=C1)CC.CCC1=CC(=CC=C1)CC.CCC1=CC=CC=C1CC, CCC1=CC=CC=C1CC
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.478G
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.479E
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.809B
- https://chem.echa.europa.eu/100.002.969
- https://chem.echa.europa.eu/100.004.701
- https://chem.echa.europa.eu/100.005.011
- https://commonchemistry.cas.org/detail?cas_rn=105-05-5
- https://commonchemistry.cas.org/detail?cas_rn=135-01-3
- https://commonchemistry.cas.org/detail?cas_rn=141-93-5
- https://commonchemistry.cas.org/detail?cas_rn=25340-17-4
- https://comptox.epa.gov/dashboard/DTXSID1022003
- https://comptox.epa.gov/dashboard/DTXSID4026711
- https://comptox.epa.gov/dashboard/DTXSID6052742
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=62102
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0PSM16X42D
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/25HOX6T1LU
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ZM2X7I1G8Y
- https://hmdb.ca/metabolites/HMDB0244072
- https://pubchem.ncbi.nlm.nih.gov/compound/32902
- https://pubchem.ncbi.nlm.nih.gov/compound/7734
- https://pubchem.ncbi.nlm.nih.gov/compound/8657
- https://pubchem.ncbi.nlm.nih.gov/compound/8864
- https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34062
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186870
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187283
- https://www.kegg.jp/entry/C14583
- https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130671
- https://www.wikidata.org/wiki/Q2429316
- https://www.wikidata.org/wiki/Q24816743
- https://www.wikidata.org/wiki/Q27115785
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
6a0e79b2… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 4 | 2 |
4ad6d2da… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
e52e154a… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 4 | 2 |
1dd3cb26… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 4 | 2 |
95eb8a63… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
c97a842f… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
9ef9282c… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 4 | 2 |
d31760d7… |
EF 3.1 | kg | Environmental → Ground → Unknown | 4 | 2 |
3c1281b0… |
EF 3.1 | kg | Environmental → Water → Ocean | 4 | 2 |
24117fed… |
EF 3.1 | kg | Environmental → Water → Surface water | 4 | 2 |
1908e1f5… |
EF 3.1 | kg | Environmental → Water → Unknown | 4 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
1908e1f5… |
altLabel |
— |
[{"@value":"Benzene, diethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25340-17-4","https://commonchemistry.cas.org/detail?cas_rn=25340-17-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=diethylbenzene||dimension=Environmental > media=Water > water_body=Unknown; cas=25340-17-4; added Common Chemistry CAS names as altLabel: Benzene, diethyl-; object_uuid=fo-2b08ba4a94ba3fe5 |
1908e1f5… |
cas_match_labels |
— |
{"25340-17-4":"exactMatch"} |
group_key=diethylbenzene||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25340-17-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2b08ba4a94ba3fe5: {'25340-17-4': 'exactMatch'} |
1dd3cb26… |
altLabel |
— |
[{"@value":"Benzene, diethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25340-17-4","https://commonchemistry.cas.org/detail?cas_rn=25340-17-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=diethylbenzene||dimension=Environmental > media=Water > water_body=Unknown; cas=25340-17-4; added Common Chemistry CAS names as altLabel: Benzene, diethyl-; object_uuid=fo-2b08ba4a94ba3fe5 |
1dd3cb26… |
cas_match_labels |
— |
{"25340-17-4":"exactMatch"} |
group_key=diethylbenzene||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25340-17-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2b08ba4a94ba3fe5: {'25340-17-4': 'exactMatch'} |
24117fed… |
altLabel |
— |
[{"@value":"Benzene, diethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25340-17-4","https://commonchemistry.cas.org/detail?cas_rn=25340-17-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=diethylbenzene||dimension=Environmental > media=Water > water_body=Unknown; cas=25340-17-4; added Common Chemistry CAS names as altLabel: Benzene, diethyl-; object_uuid=fo-2b08ba4a94ba3fe5 |
24117fed… |
cas_match_labels |
— |
{"25340-17-4":"exactMatch"} |
group_key=diethylbenzene||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25340-17-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2b08ba4a94ba3fe5: {'25340-17-4': 'exactMatch'} |
3c1281b0… |
altLabel |
— |
[{"@value":"Benzene, diethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25340-17-4","https://commonchemistry.cas.org/detail?cas_rn=25340-17-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=diethylbenzene||dimension=Environmental > media=Water > water_body=Unknown; cas=25340-17-4; added Common Chemistry CAS names as altLabel: Benzene, diethyl-; object_uuid=fo-2b08ba4a94ba3fe5 |
3c1281b0… |
cas_match_labels |
— |
{"25340-17-4":"exactMatch"} |
group_key=diethylbenzene||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25340-17-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2b08ba4a94ba3fe5: {'25340-17-4': 'exactMatch'} |
4ad6d2da… |
altLabel |
— |
[{"@value":"Benzene, diethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25340-17-4","https://commonchemistry.cas.org/detail?cas_rn=25340-17-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=diethylbenzene||dimension=Environmental > media=Water > water_body=Unknown; cas=25340-17-4; added Common Chemistry CAS names as altLabel: Benzene, diethyl-; object_uuid=fo-2b08ba4a94ba3fe5 |
4ad6d2da… |
cas_match_labels |
— |
{"25340-17-4":"exactMatch"} |
group_key=diethylbenzene||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25340-17-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2b08ba4a94ba3fe5: {'25340-17-4': 'exactMatch'} |
61ea44ef… |
altLabel |
— |
[{"@value":"Benzene, diethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25340-17-4","https://commonchemistry.cas.org/detail?cas_rn=25340-17-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=diethylbenzene||dimension=Environmental > media=Water > water_body=Unknown; cas=25340-17-4; added Common Chemistry CAS names as altLabel: Benzene, diethyl-; object_uuid=fo-2b08ba4a94ba3fe5 |
61ea44ef… |
cas_match_labels |
— |
{"25340-17-4":"exactMatch"} |
group_key=diethylbenzene||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25340-17-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2b08ba4a94ba3fe5: {'25340-17-4': 'exactMatch'} |
6a0e79b2… |
altLabel |
— |
[{"@value":"Benzene, diethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25340-17-4","https://commonchemistry.cas.org/detail?cas_rn=25340-17-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=diethylbenzene||dimension=Environmental > media=Water > water_body=Unknown; cas=25340-17-4; added Common Chemistry CAS names as altLabel: Benzene, diethyl-; object_uuid=fo-2b08ba4a94ba3fe5 |
6a0e79b2… |
cas_match_labels |
— |
{"25340-17-4":"exactMatch"} |
group_key=diethylbenzene||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25340-17-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2b08ba4a94ba3fe5: {'25340-17-4': 'exactMatch'} |
95eb8a63… |
altLabel |
— |
[{"@value":"Benzene, diethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25340-17-4","https://commonchemistry.cas.org/detail?cas_rn=25340-17-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=diethylbenzene||dimension=Environmental > media=Water > water_body=Unknown; cas=25340-17-4; added Common Chemistry CAS names as altLabel: Benzene, diethyl-; object_uuid=fo-2b08ba4a94ba3fe5 |
95eb8a63… |
cas_match_labels |
— |
{"25340-17-4":"exactMatch"} |
group_key=diethylbenzene||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25340-17-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2b08ba4a94ba3fe5: {'25340-17-4': 'exactMatch'} |
9ef9282c… |
altLabel |
— |
[{"@value":"Benzene, diethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25340-17-4","https://commonchemistry.cas.org/detail?cas_rn=25340-17-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=diethylbenzene||dimension=Environmental > media=Water > water_body=Unknown; cas=25340-17-4; added Common Chemistry CAS names as altLabel: Benzene, diethyl-; object_uuid=fo-2b08ba4a94ba3fe5 |
9ef9282c… |
cas_match_labels |
— |
{"25340-17-4":"exactMatch"} |
group_key=diethylbenzene||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25340-17-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2b08ba4a94ba3fe5: {'25340-17-4': 'exactMatch'} |
c97a842f… |
altLabel |
— |
[{"@value":"Benzene, diethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25340-17-4","https://commonchemistry.cas.org/detail?cas_rn=25340-17-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=diethylbenzene||dimension=Environmental > media=Water > water_body=Unknown; cas=25340-17-4; added Common Chemistry CAS names as altLabel: Benzene, diethyl-; object_uuid=fo-2b08ba4a94ba3fe5 |
c97a842f… |
cas_match_labels |
— |
{"25340-17-4":"exactMatch"} |
group_key=diethylbenzene||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25340-17-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2b08ba4a94ba3fe5: {'25340-17-4': 'exactMatch'} |
d31760d7… |
altLabel |
— |
[{"@value":"Benzene, diethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25340-17-4","https://commonchemistry.cas.org/detail?cas_rn=25340-17-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=diethylbenzene||dimension=Environmental > media=Water > water_body=Unknown; cas=25340-17-4; added Common Chemistry CAS names as altLabel: Benzene, diethyl-; object_uuid=fo-2b08ba4a94ba3fe5 |
d31760d7… |
cas_match_labels |
— |
{"25340-17-4":"exactMatch"} |
group_key=diethylbenzene||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25340-17-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2b08ba4a94ba3fe5: {'25340-17-4': 'exactMatch'} |
d8a4aa85… |
altLabel |
— |
[{"@value":"Benzene, diethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25340-17-4","https://commonchemistry.cas.org/detail?cas_rn=25340-17-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=diethylbenzene||dimension=Environmental > media=Water > water_body=Unknown; cas=25340-17-4; added Common Chemistry CAS names as altLabel: Benzene, diethyl-; object_uuid=fo-2b08ba4a94ba3fe5 |
d8a4aa85… |
cas_match_labels |
— |
{"25340-17-4":"exactMatch"} |
group_key=diethylbenzene||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25340-17-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2b08ba4a94ba3fe5: {'25340-17-4': 'exactMatch'} |
e52e154a… |
altLabel |
— |
[{"@value":"Benzene, diethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25340-17-4","https://commonchemistry.cas.org/detail?cas_rn=25340-17-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=diethylbenzene||dimension=Environmental > media=Water > water_body=Unknown; cas=25340-17-4; added Common Chemistry CAS names as altLabel: Benzene, diethyl-; object_uuid=fo-2b08ba4a94ba3fe5 |
e52e154a… |
cas_match_labels |
— |
{"25340-17-4":"exactMatch"} |
group_key=diethylbenzene||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25340-17-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2b08ba4a94ba3fe5: {'25340-17-4': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-2b08ba4a94ba3fe5",
"prefLabel": [
{
"@value": "Diethylbenzene",
"@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": "Benzene, diethyl-",
"@language": "en",
"@lang": "en",
"provenance": {
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"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": [
"C10H14",
"C30H42"
],
"rdfs:label": "Molecular formula",
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"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
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"@value": [
"AFZZYIJIWUTJFO-UHFFFAOYSA-N",
"DSNHSQKRULAAEI-UHFFFAOYSA-N",
"KVNYFPKFSJIPBJ-UHFFFAOYSA-N",
"WFPVGKJITDSUFW-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": {
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"prov:wasDerivedFrom": "pubchem.props.InChIKey"
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},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CCC1=CC(=CC=C1)CC",
"CCC1=CC=C(C=C1)CC",
"CCC1=CC=C(C=C1)CC.CCC1=CC(=CC=C1)CC.CCC1=CC=CC=C1CC",
"CCC1=CC=CC=C1CC"
],
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"prov:wasDerivedFrom": "pubchem.props.SMILES"
}
},
"https://w3id.org/chemrof/inchi2d_string": {
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"InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3",
"InChI=1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3",
"InChI=1S/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H3"
],
"rdfs:label": "InChI",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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"CID:8657",
"CID:8864",
"CID:32902"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"1,2-diethylbenzene",
"1,2-diethylbenzene;1,3-diethylbenzene;1,4-diethylbenzene",
"1,3-diethylbenzene",
"1,4-diethylbenzene"
],
"rdfs:label": "IUPAC name",
"provenance": {
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"CID:8864",
"CID:32902"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.478G",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
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"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "pubchem.identifiers[25340-17-4]"
}
},
{
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},
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