← Back to consensus flow objects
Alcohols, C8-10-iso-, C9-rich
| Flow Object ID | fo-5f93081b3129cb75 | ||||||
|---|---|---|---|---|---|---|---|
| Type | Consensus | ||||||
| prefLabel |
|
||||||
| Alt Labels |
|
||||||
| CAS Numbers | 68526-84-1 | ||||||
| EC Numbers | 271-233-5 | ||||||
| Changes Applied | 26 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
HXQPUEQDBSPXTE-UHFFFAOYSA-N, QDTDKYHPHANITQ-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3, InChI=1S/C9H20O/c1-9(2)7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3
|
| IUPAC name |
2,6-dimethyl-4-heptanol, 2,6-dimethylheptan-4-ol, 7-methyl-1-octanol, 7-methyloctan-1-ol
|
| Molecular formula |
C9H20O
|
| SMILES |
CC(C)CC(CC(C)C)O, CC(C)CCCCCCO
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J42.523K
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J58.121F
- https://chem.echa.europa.eu/100.003.291
- https://chem.echa.europa.eu/100.044.051
- https://commonchemistry.cas.org/detail?cas_rn=68526-84-1
- https://comptox.epa.gov/dashboard/DTXSID2058675
- https://comptox.epa.gov/dashboard/DTXSID8026802
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=62683
- https://en.wikipedia.org/wiki/Isononyl_alcohol
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/KY36Z95MC2
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/X5ATE41R0F
- https://hmdb.ca/metabolites/HMDB0031153
- https://pubchem.ncbi.nlm.nih.gov/compound/17072
- https://pubchem.ncbi.nlm.nih.gov/compound/7957
- https://pubchem.ncbi.nlm.nih.gov/erg/#1986
- https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:178389
- https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:188348
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187831
- https://www.femaflavor.org/flavor-library/26-dimethyl-4-heptanol
- https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44707
- https://www.wikidata.org/wiki/Q22668724
- https://www.wikidata.org/wiki/Q27293576
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
76ffe378… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 4 | 2 |
287132f9… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
f31784b4… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 4 | 2 |
a63bbccd… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 4 | 2 |
4fb61198… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
c69b21ab… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
473699b1… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 4 | 2 |
11fa9019… |
EF 3.1 | kg | Environmental → Ground → Unknown | 4 | 2 |
a92a95d4… |
EF 3.1 | kg | Environmental → Water → Ocean | 4 | 2 |
9fe97bd2… |
EF 3.1 | kg | Environmental → Water → Surface water | 4 | 2 |
ff006902… |
EF 3.1 | kg | Environmental → Water → Unknown | 4 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
11fa9019… |
altLabel |
— |
[{"@value":"Alcohols, C<sub>8-10</sub>-iso-, C<sub>9</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68526-84-1","https://commonchemistry.cas.org/detail?cas_rn=68526-84-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=alcohols,c8-10-iso-,c9-rich||dimension=Environmental > media=Ground > geography=Unknown; cas=68526-84-1; added Common Chemistry CAS names as altLabel: Alcohols, C<sub>8-10</sub>-iso-, C<sub>9</sub>-rich; object_uuid=fo-5f93081b3129cb75 |
11fa9019… |
cas_match_labels |
— |
{"68526-84-1":"exactMatch"} |
group_key=alcohols,c8-10-iso-,c9-rich||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68526-84-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5f93081b3129cb75: {'68526-84-1': 'exactMatch'} |
287132f9… |
altLabel |
— |
[{"@value":"Alcohols, C<sub>8-10</sub>-iso-, C<sub>9</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68526-84-1","https://commonchemistry.cas.org/detail?cas_rn=68526-84-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=alcohols,c8-10-iso-,c9-rich||dimension=Environmental > media=Ground > geography=Unknown; cas=68526-84-1; added Common Chemistry CAS names as altLabel: Alcohols, C<sub>8-10</sub>-iso-, C<sub>9</sub>-rich; object_uuid=fo-5f93081b3129cb75 |
287132f9… |
cas_match_labels |
— |
{"68526-84-1":"exactMatch"} |
group_key=alcohols,c8-10-iso-,c9-rich||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68526-84-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5f93081b3129cb75: {'68526-84-1': 'exactMatch'} |
473699b1… |
altLabel |
— |
[{"@value":"Alcohols, C<sub>8-10</sub>-iso-, C<sub>9</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68526-84-1","https://commonchemistry.cas.org/detail?cas_rn=68526-84-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=alcohols,c8-10-iso-,c9-rich||dimension=Environmental > media=Ground > geography=Unknown; cas=68526-84-1; added Common Chemistry CAS names as altLabel: Alcohols, C<sub>8-10</sub>-iso-, C<sub>9</sub>-rich; object_uuid=fo-5f93081b3129cb75 |
473699b1… |
cas_match_labels |
— |
{"68526-84-1":"exactMatch"} |
group_key=alcohols,c8-10-iso-,c9-rich||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68526-84-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5f93081b3129cb75: {'68526-84-1': 'exactMatch'} |
47bd260e… |
altLabel |
— |
[{"@value":"Alcohols, C<sub>8-10</sub>-iso-, C<sub>9</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68526-84-1","https://commonchemistry.cas.org/detail?cas_rn=68526-84-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=alcohols,c8-10-iso-,c9-rich||dimension=Environmental > media=Ground > geography=Unknown; cas=68526-84-1; added Common Chemistry CAS names as altLabel: Alcohols, C<sub>8-10</sub>-iso-, C<sub>9</sub>-rich; object_uuid=fo-5f93081b3129cb75 |
47bd260e… |
cas_match_labels |
— |
{"68526-84-1":"exactMatch"} |
group_key=alcohols,c8-10-iso-,c9-rich||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68526-84-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5f93081b3129cb75: {'68526-84-1': 'exactMatch'} |
4fb61198… |
altLabel |
— |
[{"@value":"Alcohols, C<sub>8-10</sub>-iso-, C<sub>9</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68526-84-1","https://commonchemistry.cas.org/detail?cas_rn=68526-84-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=alcohols,c8-10-iso-,c9-rich||dimension=Environmental > media=Ground > geography=Unknown; cas=68526-84-1; added Common Chemistry CAS names as altLabel: Alcohols, C<sub>8-10</sub>-iso-, C<sub>9</sub>-rich; object_uuid=fo-5f93081b3129cb75 |
4fb61198… |
cas_match_labels |
— |
{"68526-84-1":"exactMatch"} |
group_key=alcohols,c8-10-iso-,c9-rich||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68526-84-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5f93081b3129cb75: {'68526-84-1': 'exactMatch'} |
54883ffe… |
altLabel |
— |
[{"@value":"Alcohols, C<sub>8-10</sub>-iso-, C<sub>9</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68526-84-1","https://commonchemistry.cas.org/detail?cas_rn=68526-84-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=alcohols,c8-10-iso-,c9-rich||dimension=Environmental > media=Ground > geography=Unknown; cas=68526-84-1; added Common Chemistry CAS names as altLabel: Alcohols, C<sub>8-10</sub>-iso-, C<sub>9</sub>-rich; object_uuid=fo-5f93081b3129cb75 |
54883ffe… |
cas_match_labels |
— |
{"68526-84-1":"exactMatch"} |
group_key=alcohols,c8-10-iso-,c9-rich||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68526-84-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5f93081b3129cb75: {'68526-84-1': 'exactMatch'} |
76ffe378… |
altLabel |
— |
[{"@value":"Alcohols, C<sub>8-10</sub>-iso-, C<sub>9</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68526-84-1","https://commonchemistry.cas.org/detail?cas_rn=68526-84-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=alcohols,c8-10-iso-,c9-rich||dimension=Environmental > media=Ground > geography=Unknown; cas=68526-84-1; added Common Chemistry CAS names as altLabel: Alcohols, C<sub>8-10</sub>-iso-, C<sub>9</sub>-rich; object_uuid=fo-5f93081b3129cb75 |
76ffe378… |
cas_match_labels |
— |
{"68526-84-1":"exactMatch"} |
group_key=alcohols,c8-10-iso-,c9-rich||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68526-84-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5f93081b3129cb75: {'68526-84-1': 'exactMatch'} |
9fe97bd2… |
altLabel |
— |
[{"@value":"Alcohols, C<sub>8-10</sub>-iso-, C<sub>9</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68526-84-1","https://commonchemistry.cas.org/detail?cas_rn=68526-84-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=alcohols,c8-10-iso-,c9-rich||dimension=Environmental > media=Ground > geography=Unknown; cas=68526-84-1; added Common Chemistry CAS names as altLabel: Alcohols, C<sub>8-10</sub>-iso-, C<sub>9</sub>-rich; object_uuid=fo-5f93081b3129cb75 |
9fe97bd2… |
cas_match_labels |
— |
{"68526-84-1":"exactMatch"} |
group_key=alcohols,c8-10-iso-,c9-rich||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68526-84-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5f93081b3129cb75: {'68526-84-1': 'exactMatch'} |
a63bbccd… |
altLabel |
— |
[{"@value":"Alcohols, C<sub>8-10</sub>-iso-, C<sub>9</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68526-84-1","https://commonchemistry.cas.org/detail?cas_rn=68526-84-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=alcohols,c8-10-iso-,c9-rich||dimension=Environmental > media=Ground > geography=Unknown; cas=68526-84-1; added Common Chemistry CAS names as altLabel: Alcohols, C<sub>8-10</sub>-iso-, C<sub>9</sub>-rich; object_uuid=fo-5f93081b3129cb75 |
a63bbccd… |
cas_match_labels |
— |
{"68526-84-1":"exactMatch"} |
group_key=alcohols,c8-10-iso-,c9-rich||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68526-84-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5f93081b3129cb75: {'68526-84-1': 'exactMatch'} |
a92a95d4… |
altLabel |
— |
[{"@value":"Alcohols, C<sub>8-10</sub>-iso-, C<sub>9</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68526-84-1","https://commonchemistry.cas.org/detail?cas_rn=68526-84-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=alcohols,c8-10-iso-,c9-rich||dimension=Environmental > media=Ground > geography=Unknown; cas=68526-84-1; added Common Chemistry CAS names as altLabel: Alcohols, C<sub>8-10</sub>-iso-, C<sub>9</sub>-rich; object_uuid=fo-5f93081b3129cb75 |
a92a95d4… |
cas_match_labels |
— |
{"68526-84-1":"exactMatch"} |
group_key=alcohols,c8-10-iso-,c9-rich||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68526-84-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5f93081b3129cb75: {'68526-84-1': 'exactMatch'} |
c69b21ab… |
altLabel |
— |
[{"@value":"Alcohols, C<sub>8-10</sub>-iso-, C<sub>9</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68526-84-1","https://commonchemistry.cas.org/detail?cas_rn=68526-84-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=alcohols,c8-10-iso-,c9-rich||dimension=Environmental > media=Ground > geography=Unknown; cas=68526-84-1; added Common Chemistry CAS names as altLabel: Alcohols, C<sub>8-10</sub>-iso-, C<sub>9</sub>-rich; object_uuid=fo-5f93081b3129cb75 |
c69b21ab… |
cas_match_labels |
— |
{"68526-84-1":"exactMatch"} |
group_key=alcohols,c8-10-iso-,c9-rich||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68526-84-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5f93081b3129cb75: {'68526-84-1': 'exactMatch'} |
f31784b4… |
altLabel |
— |
[{"@value":"Alcohols, C<sub>8-10</sub>-iso-, C<sub>9</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68526-84-1","https://commonchemistry.cas.org/detail?cas_rn=68526-84-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=alcohols,c8-10-iso-,c9-rich||dimension=Environmental > media=Ground > geography=Unknown; cas=68526-84-1; added Common Chemistry CAS names as altLabel: Alcohols, C<sub>8-10</sub>-iso-, C<sub>9</sub>-rich; object_uuid=fo-5f93081b3129cb75 |
f31784b4… |
cas_match_labels |
— |
{"68526-84-1":"exactMatch"} |
group_key=alcohols,c8-10-iso-,c9-rich||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68526-84-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5f93081b3129cb75: {'68526-84-1': 'exactMatch'} |
ff006902… |
altLabel |
— |
[{"@value":"Alcohols, C<sub>8-10</sub>-iso-, C<sub>9</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68526-84-1","https://commonchemistry.cas.org/detail?cas_rn=68526-84-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=alcohols,c8-10-iso-,c9-rich||dimension=Environmental > media=Ground > geography=Unknown; cas=68526-84-1; added Common Chemistry CAS names as altLabel: Alcohols, C<sub>8-10</sub>-iso-, C<sub>9</sub>-rich; object_uuid=fo-5f93081b3129cb75 |
ff006902… |
cas_match_labels |
— |
{"68526-84-1":"exactMatch"} |
group_key=alcohols,c8-10-iso-,c9-rich||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68526-84-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5f93081b3129cb75: {'68526-84-1': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-5f93081b3129cb75",
"prefLabel": [
{
"@value": "Alcohols, C8-10-iso-, C9-rich",
"@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": "Alcohols, C<sub>8-10</sub>-iso-, C<sub>9</sub>-rich",
"@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": [
"C9H20O"
],
"rdfs:label": "Molecular formula",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7957",
"CID:17072"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"HXQPUEQDBSPXTE-UHFFFAOYSA-N",
"QDTDKYHPHANITQ-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": {
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"prov:hadPrimarySource": [
"CID:7957",
"CID:17072"
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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": [
"CC(C)CC(CC(C)C)O",
"CC(C)CCCCCCO"
],
"rdfs:label": "SMILES",
"provenance": {
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"CID:7957",
"CID:17072"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3",
"InChI=1S/C9H20O/c1-9(2)7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3"
],
"rdfs:label": "InChI",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7957",
"CID:17072"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"2,6-dimethyl-4-heptanol",
"2,6-dimethylheptan-4-ol",
"7-methyl-1-octanol",
"7-methyloctan-1-ol"
],
"rdfs:label": "IUPAC name",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:7957",
"CID:17072"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J42.523K",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
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],
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}
},
{
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}
},
{
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{
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