← Back to consensus flow objects
6-nitroquinoline
| Flow Object ID | fo-bb938330aeae9e0e | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Type | Consensus | |||||||||
| prefLabel |
|
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| Alt Labels |
|
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| CAS Numbers | 613-50-3 | |||||||||
| EC Numbers | 210-346-6 | |||||||||
| Changes Applied | 26 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
ASVYHMUYLBMSKW-UHFFFAOYSA-N, SMHPLBXIVNQFBA-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C9H10N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h3-4,6,10H,1-2,5H2, InChI=1S/C9H6N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6H
|
| IUPAC name |
6-nitro-1,2,3,4-tetrahydroquinoline, 6-nitroquinoline
|
| Molecular formula |
C9H10N2O2, C9H6N2O2
|
| SMILES |
C1=CC2=C(C=CC(=C2)[N+](=O)[O-])N=C1, C1CC2=C(C=CC(=C2)[N+](=O)[O-])NC1
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.035.208F
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.997A
- https://chem.echa.europa.eu/100.009.407
- https://chem.echa.europa.eu/100.190.469
- https://commonchemistry.cas.org/detail?cas_rn=613-50-3
- https://comptox.epa.gov/dashboard/DTXSID1020984
- https://comptox.epa.gov/dashboard/DTXSID60427714
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4141
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7033583N3J
- https://pubchem.ncbi.nlm.nih.gov/compound/11945
- https://pubchem.ncbi.nlm.nih.gov/compound/7064110
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL353078
- https://www.wikidata.org/wiki/Q27265819
- https://www.wikidata.org/wiki/Q82240385
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
49253113… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 2 | 2 |
0d8849e2… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
f935555c… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 2 |
e300a568… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 2 |
a4e54cfa… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
e66e4090… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
52e8fe3f… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 2 | 2 |
5920e6f4… |
EF 3.1 | kg | Environmental → Ground → Unknown | 2 | 2 |
7c2cdb4e… |
EF 3.1 | kg | Environmental → Water → Ocean | 2 | 2 |
eab11d75… |
EF 3.1 | kg | Environmental → Water → Surface water | 2 | 2 |
02ff669e… |
EF 3.1 | kg | Environmental → Water → Unknown | 2 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
02ff669e… |
altLabel |
— |
[{"@value":"NSC 4141","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:613-50-3","https://commonchemistry.cas.org/detail?cas_rn=613-50-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinoline, 6-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:613-50-3","https://commonchemistry.cas.org/detail?cas_rn=613-50-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; cas=613-50-3; added Common Chemistry CAS names as altLabel: NSC 4141, Quinoline, 6-nitro-; object_uuid=fo-bb938330aeae9e0e |
02ff669e… |
cas_match_labels |
— |
{"613-50-3":"exactMatch"} |
group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'613-50-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bb938330aeae9e0e: {'613-50-3': 'exactMatch'} |
0d8849e2… |
altLabel |
— |
[{"@value":"NSC 4141","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:613-50-3","https://commonchemistry.cas.org/detail?cas_rn=613-50-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinoline, 6-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:613-50-3","https://commonchemistry.cas.org/detail?cas_rn=613-50-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; cas=613-50-3; added Common Chemistry CAS names as altLabel: NSC 4141, Quinoline, 6-nitro-; object_uuid=fo-bb938330aeae9e0e |
0d8849e2… |
cas_match_labels |
— |
{"613-50-3":"exactMatch"} |
group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'613-50-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bb938330aeae9e0e: {'613-50-3': 'exactMatch'} |
49253113… |
altLabel |
— |
[{"@value":"NSC 4141","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:613-50-3","https://commonchemistry.cas.org/detail?cas_rn=613-50-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinoline, 6-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:613-50-3","https://commonchemistry.cas.org/detail?cas_rn=613-50-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; cas=613-50-3; added Common Chemistry CAS names as altLabel: NSC 4141, Quinoline, 6-nitro-; object_uuid=fo-bb938330aeae9e0e |
49253113… |
cas_match_labels |
— |
{"613-50-3":"exactMatch"} |
group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'613-50-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bb938330aeae9e0e: {'613-50-3': 'exactMatch'} |
52e8fe3f… |
altLabel |
— |
[{"@value":"NSC 4141","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:613-50-3","https://commonchemistry.cas.org/detail?cas_rn=613-50-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinoline, 6-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:613-50-3","https://commonchemistry.cas.org/detail?cas_rn=613-50-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; cas=613-50-3; added Common Chemistry CAS names as altLabel: NSC 4141, Quinoline, 6-nitro-; object_uuid=fo-bb938330aeae9e0e |
52e8fe3f… |
cas_match_labels |
— |
{"613-50-3":"exactMatch"} |
group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'613-50-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bb938330aeae9e0e: {'613-50-3': 'exactMatch'} |
5920e6f4… |
altLabel |
— |
[{"@value":"NSC 4141","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:613-50-3","https://commonchemistry.cas.org/detail?cas_rn=613-50-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinoline, 6-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:613-50-3","https://commonchemistry.cas.org/detail?cas_rn=613-50-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; cas=613-50-3; added Common Chemistry CAS names as altLabel: NSC 4141, Quinoline, 6-nitro-; object_uuid=fo-bb938330aeae9e0e |
5920e6f4… |
cas_match_labels |
— |
{"613-50-3":"exactMatch"} |
group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'613-50-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bb938330aeae9e0e: {'613-50-3': 'exactMatch'} |
7c2cdb4e… |
altLabel |
— |
[{"@value":"NSC 4141","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:613-50-3","https://commonchemistry.cas.org/detail?cas_rn=613-50-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinoline, 6-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:613-50-3","https://commonchemistry.cas.org/detail?cas_rn=613-50-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; cas=613-50-3; added Common Chemistry CAS names as altLabel: NSC 4141, Quinoline, 6-nitro-; object_uuid=fo-bb938330aeae9e0e |
7c2cdb4e… |
cas_match_labels |
— |
{"613-50-3":"exactMatch"} |
group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'613-50-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bb938330aeae9e0e: {'613-50-3': 'exactMatch'} |
87b03594… |
altLabel |
— |
[{"@value":"NSC 4141","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:613-50-3","https://commonchemistry.cas.org/detail?cas_rn=613-50-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinoline, 6-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:613-50-3","https://commonchemistry.cas.org/detail?cas_rn=613-50-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; cas=613-50-3; added Common Chemistry CAS names as altLabel: NSC 4141, Quinoline, 6-nitro-; object_uuid=fo-bb938330aeae9e0e |
87b03594… |
cas_match_labels |
— |
{"613-50-3":"exactMatch"} |
group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'613-50-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bb938330aeae9e0e: {'613-50-3': 'exactMatch'} |
a4e54cfa… |
altLabel |
— |
[{"@value":"NSC 4141","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:613-50-3","https://commonchemistry.cas.org/detail?cas_rn=613-50-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinoline, 6-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:613-50-3","https://commonchemistry.cas.org/detail?cas_rn=613-50-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; cas=613-50-3; added Common Chemistry CAS names as altLabel: NSC 4141, Quinoline, 6-nitro-; object_uuid=fo-bb938330aeae9e0e |
a4e54cfa… |
cas_match_labels |
— |
{"613-50-3":"exactMatch"} |
group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'613-50-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bb938330aeae9e0e: {'613-50-3': 'exactMatch'} |
cc52b1cd… |
altLabel |
— |
[{"@value":"NSC 4141","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:613-50-3","https://commonchemistry.cas.org/detail?cas_rn=613-50-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinoline, 6-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:613-50-3","https://commonchemistry.cas.org/detail?cas_rn=613-50-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; cas=613-50-3; added Common Chemistry CAS names as altLabel: NSC 4141, Quinoline, 6-nitro-; object_uuid=fo-bb938330aeae9e0e |
cc52b1cd… |
cas_match_labels |
— |
{"613-50-3":"exactMatch"} |
group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'613-50-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bb938330aeae9e0e: {'613-50-3': 'exactMatch'} |
e300a568… |
altLabel |
— |
[{"@value":"NSC 4141","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:613-50-3","https://commonchemistry.cas.org/detail?cas_rn=613-50-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinoline, 6-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:613-50-3","https://commonchemistry.cas.org/detail?cas_rn=613-50-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; cas=613-50-3; added Common Chemistry CAS names as altLabel: NSC 4141, Quinoline, 6-nitro-; object_uuid=fo-bb938330aeae9e0e |
e300a568… |
cas_match_labels |
— |
{"613-50-3":"exactMatch"} |
group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'613-50-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bb938330aeae9e0e: {'613-50-3': 'exactMatch'} |
e66e4090… |
altLabel |
— |
[{"@value":"NSC 4141","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:613-50-3","https://commonchemistry.cas.org/detail?cas_rn=613-50-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinoline, 6-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:613-50-3","https://commonchemistry.cas.org/detail?cas_rn=613-50-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; cas=613-50-3; added Common Chemistry CAS names as altLabel: NSC 4141, Quinoline, 6-nitro-; object_uuid=fo-bb938330aeae9e0e |
e66e4090… |
cas_match_labels |
— |
{"613-50-3":"exactMatch"} |
group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'613-50-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bb938330aeae9e0e: {'613-50-3': 'exactMatch'} |
eab11d75… |
altLabel |
— |
[{"@value":"NSC 4141","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:613-50-3","https://commonchemistry.cas.org/detail?cas_rn=613-50-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinoline, 6-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:613-50-3","https://commonchemistry.cas.org/detail?cas_rn=613-50-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; cas=613-50-3; added Common Chemistry CAS names as altLabel: NSC 4141, Quinoline, 6-nitro-; object_uuid=fo-bb938330aeae9e0e |
eab11d75… |
cas_match_labels |
— |
{"613-50-3":"exactMatch"} |
group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'613-50-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bb938330aeae9e0e: {'613-50-3': 'exactMatch'} |
f935555c… |
altLabel |
— |
[{"@value":"NSC 4141","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:613-50-3","https://commonchemistry.cas.org/detail?cas_rn=613-50-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Quinoline, 6-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:613-50-3","https://commonchemistry.cas.org/detail?cas_rn=613-50-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; cas=613-50-3; added Common Chemistry CAS names as altLabel: NSC 4141, Quinoline, 6-nitro-; object_uuid=fo-bb938330aeae9e0e |
f935555c… |
cas_match_labels |
— |
{"613-50-3":"exactMatch"} |
group_key=6-nitroquinoline||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'613-50-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bb938330aeae9e0e: {'613-50-3': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-bb938330aeae9e0e",
"prefLabel": [
{
"@value": "6-nitroquinoline",
"@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": "NSC 4141",
"@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": "Quinoline, 6-nitro-",
"@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": [
"C9H10N2O2",
"C9H6N2O2"
],
"rdfs:label": "Molecular formula",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11945",
"CID:7064110"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"ASVYHMUYLBMSKW-UHFFFAOYSA-N",
"SMHPLBXIVNQFBA-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11945",
"CID:7064110"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"C1=CC2=C(C=CC(=C2)[N+](=O)[O-])N=C1",
"C1CC2=C(C=CC(=C2)[N+](=O)[O-])NC1"
],
"rdfs:label": "SMILES",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11945",
"CID:7064110"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C9H10N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h3-4,6,10H,1-2,5H2",
"InChI=1S/C9H6N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6H"
],
"rdfs:label": "InChI",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:11945",
"CID:7064110"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"6-nitro-1,2,3,4-tetrahydroquinoline",
"6-nitroquinoline"
],
"rdfs:label": "IUPAC name",
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