← Back to consensus flow objects
2,5-dihydrofuran
| Flow Object ID | fo-52e3b914ebb6ea6f | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Type | Consensus | |||||||||
| prefLabel |
|
|||||||||
| Alt Labels |
|
|||||||||
| CAS Numbers | 1708-29-8 | |||||||||
| EC Numbers | 216-957-4 | |||||||||
| Changes Applied | 26 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
ARGCQEVBJHPOGB-UHFFFAOYSA-N, JNVDPJAUWVJWAB-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2, InChI=1S/C6H3BrClI/c7-4-1-2-5(8)6(9)3-4/h1-3H
|
| IUPAC name |
2,5-dihydrofuran, 4-bromanyl-1-chloranyl-2-iodanyl-benzene, 4-bromo-1-chloro-2-iodo-benzene, 4-bromo-1-chloro-2-iodobenzene
|
| Molecular formula |
C4H6O, C6H3BrClI
|
| SMILES |
C1=CC(=C(C=C1Br)I)Cl, C1C=CCO1
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.793.110A
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J41.176K
- https://chem.echa.europa.eu/100.015.416
- https://chem.echa.europa.eu/100.250.664
- https://commonchemistry.cas.org/detail?cas_rn=1708-29-8
- https://comptox.epa.gov/dashboard/DTXSID5051785
- https://comptox.epa.gov/dashboard/DTXSID90679547
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=60532
- https://en.wikipedia.org/wiki/2,5-Dihydrofuran
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/HD0TIE091T
- https://pubchem.ncbi.nlm.nih.gov/compound/15570
- https://pubchem.ncbi.nlm.nih.gov/compound/51000071
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL117135
- https://www.wikidata.org/wiki/Q2813802
- https://www.wikidata.org/wiki/Q82602944
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
4476de4e… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 4 | 2 |
d6fe3e40… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
69209dc4… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 4 | 2 |
039d0568… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 4 | 2 |
7ce11d5a… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
e1ec984a… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
4bbe704f… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 4 | 2 |
106d4c19… |
EF 3.1 | kg | Environmental → Ground → Unknown | 4 | 2 |
72aa73f0… |
EF 3.1 | kg | Environmental → Water → Ocean | 4 | 2 |
38773c9f… |
EF 3.1 | kg | Environmental → Water → Surface water | 4 | 2 |
e4509955… |
EF 3.1 | kg | Environmental → Water → Unknown | 4 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
039d0568… |
altLabel |
— |
[{"@value":"Furan, 2,5-dihydro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1708-29-8","https://commonchemistry.cas.org/detail?cas_rn=1708-29-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 60532","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1708-29-8","https://commonchemistry.cas.org/detail?cas_rn=1708-29-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,5-dihydrofuran||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=1708-29-8; added Common Chemistry CAS names as altLabel: Furan, 2,5-dihydro-, NSC 60532; object_uuid=fo-52e3b914ebb6ea6f |
039d0568… |
cas_match_labels |
— |
{"1708-29-8":"exactMatch"} |
group_key=2,5-dihydrofuran||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1708-29-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-52e3b914ebb6ea6f: {'1708-29-8': 'exactMatch'} |
106d4c19… |
altLabel |
— |
[{"@value":"Furan, 2,5-dihydro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1708-29-8","https://commonchemistry.cas.org/detail?cas_rn=1708-29-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 60532","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1708-29-8","https://commonchemistry.cas.org/detail?cas_rn=1708-29-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,5-dihydrofuran||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=1708-29-8; added Common Chemistry CAS names as altLabel: Furan, 2,5-dihydro-, NSC 60532; object_uuid=fo-52e3b914ebb6ea6f |
106d4c19… |
cas_match_labels |
— |
{"1708-29-8":"exactMatch"} |
group_key=2,5-dihydrofuran||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1708-29-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-52e3b914ebb6ea6f: {'1708-29-8': 'exactMatch'} |
171bc3e2… |
altLabel |
— |
[{"@value":"Furan, 2,5-dihydro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1708-29-8","https://commonchemistry.cas.org/detail?cas_rn=1708-29-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 60532","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1708-29-8","https://commonchemistry.cas.org/detail?cas_rn=1708-29-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,5-dihydrofuran||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=1708-29-8; added Common Chemistry CAS names as altLabel: Furan, 2,5-dihydro-, NSC 60532; object_uuid=fo-52e3b914ebb6ea6f |
171bc3e2… |
cas_match_labels |
— |
{"1708-29-8":"exactMatch"} |
group_key=2,5-dihydrofuran||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1708-29-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-52e3b914ebb6ea6f: {'1708-29-8': 'exactMatch'} |
38773c9f… |
altLabel |
— |
[{"@value":"Furan, 2,5-dihydro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1708-29-8","https://commonchemistry.cas.org/detail?cas_rn=1708-29-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 60532","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1708-29-8","https://commonchemistry.cas.org/detail?cas_rn=1708-29-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,5-dihydrofuran||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=1708-29-8; added Common Chemistry CAS names as altLabel: Furan, 2,5-dihydro-, NSC 60532; object_uuid=fo-52e3b914ebb6ea6f |
38773c9f… |
cas_match_labels |
— |
{"1708-29-8":"exactMatch"} |
group_key=2,5-dihydrofuran||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1708-29-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-52e3b914ebb6ea6f: {'1708-29-8': 'exactMatch'} |
4476de4e… |
altLabel |
— |
[{"@value":"Furan, 2,5-dihydro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1708-29-8","https://commonchemistry.cas.org/detail?cas_rn=1708-29-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 60532","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1708-29-8","https://commonchemistry.cas.org/detail?cas_rn=1708-29-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,5-dihydrofuran||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=1708-29-8; added Common Chemistry CAS names as altLabel: Furan, 2,5-dihydro-, NSC 60532; object_uuid=fo-52e3b914ebb6ea6f |
4476de4e… |
cas_match_labels |
— |
{"1708-29-8":"exactMatch"} |
group_key=2,5-dihydrofuran||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1708-29-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-52e3b914ebb6ea6f: {'1708-29-8': 'exactMatch'} |
4bbe704f… |
altLabel |
— |
[{"@value":"Furan, 2,5-dihydro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1708-29-8","https://commonchemistry.cas.org/detail?cas_rn=1708-29-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 60532","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1708-29-8","https://commonchemistry.cas.org/detail?cas_rn=1708-29-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,5-dihydrofuran||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=1708-29-8; added Common Chemistry CAS names as altLabel: Furan, 2,5-dihydro-, NSC 60532; object_uuid=fo-52e3b914ebb6ea6f |
4bbe704f… |
cas_match_labels |
— |
{"1708-29-8":"exactMatch"} |
group_key=2,5-dihydrofuran||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1708-29-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-52e3b914ebb6ea6f: {'1708-29-8': 'exactMatch'} |
69209dc4… |
altLabel |
— |
[{"@value":"Furan, 2,5-dihydro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1708-29-8","https://commonchemistry.cas.org/detail?cas_rn=1708-29-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 60532","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1708-29-8","https://commonchemistry.cas.org/detail?cas_rn=1708-29-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,5-dihydrofuran||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=1708-29-8; added Common Chemistry CAS names as altLabel: Furan, 2,5-dihydro-, NSC 60532; object_uuid=fo-52e3b914ebb6ea6f |
69209dc4… |
cas_match_labels |
— |
{"1708-29-8":"exactMatch"} |
group_key=2,5-dihydrofuran||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1708-29-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-52e3b914ebb6ea6f: {'1708-29-8': 'exactMatch'} |
72aa73f0… |
altLabel |
— |
[{"@value":"Furan, 2,5-dihydro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1708-29-8","https://commonchemistry.cas.org/detail?cas_rn=1708-29-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 60532","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1708-29-8","https://commonchemistry.cas.org/detail?cas_rn=1708-29-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,5-dihydrofuran||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=1708-29-8; added Common Chemistry CAS names as altLabel: Furan, 2,5-dihydro-, NSC 60532; object_uuid=fo-52e3b914ebb6ea6f |
72aa73f0… |
cas_match_labels |
— |
{"1708-29-8":"exactMatch"} |
group_key=2,5-dihydrofuran||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1708-29-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-52e3b914ebb6ea6f: {'1708-29-8': 'exactMatch'} |
7ce11d5a… |
altLabel |
— |
[{"@value":"Furan, 2,5-dihydro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1708-29-8","https://commonchemistry.cas.org/detail?cas_rn=1708-29-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 60532","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1708-29-8","https://commonchemistry.cas.org/detail?cas_rn=1708-29-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,5-dihydrofuran||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=1708-29-8; added Common Chemistry CAS names as altLabel: Furan, 2,5-dihydro-, NSC 60532; object_uuid=fo-52e3b914ebb6ea6f |
7ce11d5a… |
cas_match_labels |
— |
{"1708-29-8":"exactMatch"} |
group_key=2,5-dihydrofuran||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1708-29-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-52e3b914ebb6ea6f: {'1708-29-8': 'exactMatch'} |
a831f8ca… |
altLabel |
— |
[{"@value":"Furan, 2,5-dihydro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1708-29-8","https://commonchemistry.cas.org/detail?cas_rn=1708-29-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 60532","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1708-29-8","https://commonchemistry.cas.org/detail?cas_rn=1708-29-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,5-dihydrofuran||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=1708-29-8; added Common Chemistry CAS names as altLabel: Furan, 2,5-dihydro-, NSC 60532; object_uuid=fo-52e3b914ebb6ea6f |
a831f8ca… |
cas_match_labels |
— |
{"1708-29-8":"exactMatch"} |
group_key=2,5-dihydrofuran||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1708-29-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-52e3b914ebb6ea6f: {'1708-29-8': 'exactMatch'} |
d6fe3e40… |
altLabel |
— |
[{"@value":"Furan, 2,5-dihydro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1708-29-8","https://commonchemistry.cas.org/detail?cas_rn=1708-29-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 60532","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1708-29-8","https://commonchemistry.cas.org/detail?cas_rn=1708-29-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,5-dihydrofuran||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=1708-29-8; added Common Chemistry CAS names as altLabel: Furan, 2,5-dihydro-, NSC 60532; object_uuid=fo-52e3b914ebb6ea6f |
d6fe3e40… |
cas_match_labels |
— |
{"1708-29-8":"exactMatch"} |
group_key=2,5-dihydrofuran||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1708-29-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-52e3b914ebb6ea6f: {'1708-29-8': 'exactMatch'} |
e1ec984a… |
altLabel |
— |
[{"@value":"Furan, 2,5-dihydro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1708-29-8","https://commonchemistry.cas.org/detail?cas_rn=1708-29-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 60532","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1708-29-8","https://commonchemistry.cas.org/detail?cas_rn=1708-29-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,5-dihydrofuran||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=1708-29-8; added Common Chemistry CAS names as altLabel: Furan, 2,5-dihydro-, NSC 60532; object_uuid=fo-52e3b914ebb6ea6f |
e1ec984a… |
cas_match_labels |
— |
{"1708-29-8":"exactMatch"} |
group_key=2,5-dihydrofuran||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1708-29-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-52e3b914ebb6ea6f: {'1708-29-8': 'exactMatch'} |
e4509955… |
altLabel |
— |
[{"@value":"Furan, 2,5-dihydro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1708-29-8","https://commonchemistry.cas.org/detail?cas_rn=1708-29-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 60532","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1708-29-8","https://commonchemistry.cas.org/detail?cas_rn=1708-29-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2,5-dihydrofuran||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=1708-29-8; added Common Chemistry CAS names as altLabel: Furan, 2,5-dihydro-, NSC 60532; object_uuid=fo-52e3b914ebb6ea6f |
e4509955… |
cas_match_labels |
— |
{"1708-29-8":"exactMatch"} |
group_key=2,5-dihydrofuran||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1708-29-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-52e3b914ebb6ea6f: {'1708-29-8': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-52e3b914ebb6ea6f",
"prefLabel": [
{
"@value": "2,5-dihydrofuran",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "prefLabel"
}
}
],
"altLabel": [
{
"@value": "Furan, 2,5-dihydro-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "altLabel"
}
},
{
"@value": "NSC 60532",
"@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": [
"C4H6O",
"C6H3BrClI"
],
"rdfs:label": "Molecular formula",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:15570",
"CID:51000071"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"ARGCQEVBJHPOGB-UHFFFAOYSA-N",
"JNVDPJAUWVJWAB-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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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=C1Br)I)Cl",
"C1C=CCO1"
],
"rdfs:label": "SMILES",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2",
"InChI=1S/C6H3BrClI/c7-4-1-2-5(8)6(9)3-4/h1-3H"
],
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