← Back to consensus flow objects
Isononanoic Acid, C16-18 (even Numbered)-alkyl Esters
| Flow Object ID | fo-14abea383fe6f595 | ||||||
|---|---|---|---|---|---|---|---|
| Type | Consensus | ||||||
| prefLabel |
|
||||||
| Alt Labels |
|
||||||
| CAS Numbers | 111937-03-2 | ||||||
| EC Numbers | 601-141-6 | ||||||
| Changes Applied | 26 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
XLYOFNOQVPJJNP-UHFFFAOYSA-N
|
| InChI |
InChI=1S/H2O/h1H2
|
| IUPAC name |
oxidane, water
|
| Molecular formula |
H2O
|
| SMILES |
O
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.261.720F
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.587B
- https://chem.echa.europa.eu/100.028.902
- https://chem.echa.europa.eu/100.205.267
- https://commonchemistry.cas.org/detail?cas_rn=111937-03-2
- https://commonchemistry.cas.org/detail?cas_rn=139322-38-6
- https://commonchemistry.cas.org/detail?cas_rn=139322-39-7
- https://commonchemistry.cas.org/detail?cas_rn=142473-62-9
- https://commonchemistry.cas.org/detail?cas_rn=142473-63-0
- https://commonchemistry.cas.org/detail?cas_rn=142473-64-1
- https://commonchemistry.cas.org/detail?cas_rn=144442-58-0
- https://commonchemistry.cas.org/detail?cas_rn=144442-59-1
- https://commonchemistry.cas.org/detail?cas_rn=146915-49-3
- https://commonchemistry.cas.org/detail?cas_rn=146915-50-6
- https://commonchemistry.cas.org/detail?cas_rn=148076-12-4
- https://commonchemistry.cas.org/detail?cas_rn=148076-13-5
- https://commonchemistry.cas.org/detail?cas_rn=151517-94-1
- https://commonchemistry.cas.org/detail?cas_rn=151517-95-2
- https://commonchemistry.cas.org/detail?cas_rn=151517-96-3
- https://commonchemistry.cas.org/detail?cas_rn=151733-06-1
- https://commonchemistry.cas.org/detail?cas_rn=151733-07-2
- https://commonchemistry.cas.org/detail?cas_rn=155964-99-1
- https://commonchemistry.cas.org/detail?cas_rn=158061-35-9
- https://commonchemistry.cas.org/detail?cas_rn=163734-19-8
- https://commonchemistry.cas.org/detail?cas_rn=163734-20-1
- https://commonchemistry.cas.org/detail?cas_rn=163734-21-2
- https://commonchemistry.cas.org/detail?cas_rn=181895-39-6
- https://commonchemistry.cas.org/detail?cas_rn=191612-61-0
- https://commonchemistry.cas.org/detail?cas_rn=191612-63-2
- https://commonchemistry.cas.org/detail?cas_rn=25655-83-8
- https://commonchemistry.cas.org/detail?cas_rn=25766-61-4
- https://commonchemistry.cas.org/detail?cas_rn=31014-12-7
- https://commonchemistry.cas.org/detail?cas_rn=70232-06-3
- https://commonchemistry.cas.org/detail?cas_rn=79800-59-2
- https://comptox.epa.gov/dashboard/DTXSID00170378
- https://comptox.epa.gov/dashboard/DTXSID6026296
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=147337
- https://en.wikipedia.org/wiki/Water
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/059QF0KO0R
- https://hmdb.ca/metabolites/HMDB0002111
- https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C65147
- https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C90377
- https://platform.opentargets.org/drug/CHEMBL1098659
- https://pubchem.ncbi.nlm.nih.gov/compound/962
- https://rxnav.nlm.nih.gov/id/rxnorm/11295
- https://www.drugbank.ca/drugs/DB09145
- https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15377
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1098659
- https://www.kegg.jp/entry/C00001
- https://www.kegg.jp/entry/D00001
- https://www.pharmgkb.org/chemical/PA166178627
- https://www.wikidata.org/wiki/Q283
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
bca22805… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 4 | 2 |
0a890d4c… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
915a12af… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 4 | 2 |
fed9f583… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 4 | 2 |
83324721… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
9a44b503… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
800e8845… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 4 | 2 |
9c3dc0dc… |
EF 3.1 | kg | Environmental → Ground → Unknown | 4 | 2 |
fb06153e… |
EF 3.1 | kg | Environmental → Water → Ocean | 4 | 2 |
3635799e… |
EF 3.1 | kg | Environmental → Water → Surface water | 4 | 2 |
2c08f7f9… |
EF 3.1 | kg | Environmental → Water → Unknown | 4 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
0a890d4c… |
altLabel |
— |
[{"@value":"Isononanoic acid, C<sub>16-18</sub>-alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:111937-03-2","https://commonchemistry.cas.org/detail?cas_rn=111937-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=isononanoicacid,c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=111937-03-2; added Common Chemistry CAS names as altLabel: Isononanoic acid, C<sub>16-18</sub>-alkyl esters; object_uuid=fo-14abea383fe6f595 |
0a890d4c… |
cas_match_labels |
— |
{"111937-03-2":"exactMatch"} |
group_key=isononanoicacid,c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'111937-03-2': []}; assigned CAS labels from group consensus; object_uuid=fo-14abea383fe6f595: {'111937-03-2': 'exactMatch'} |
2c08f7f9… |
altLabel |
— |
[{"@value":"Isononanoic acid, C<sub>16-18</sub>-alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:111937-03-2","https://commonchemistry.cas.org/detail?cas_rn=111937-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=isononanoicacid,c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=111937-03-2; added Common Chemistry CAS names as altLabel: Isononanoic acid, C<sub>16-18</sub>-alkyl esters; object_uuid=fo-14abea383fe6f595 |
2c08f7f9… |
cas_match_labels |
— |
{"111937-03-2":"exactMatch"} |
group_key=isononanoicacid,c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'111937-03-2': []}; assigned CAS labels from group consensus; object_uuid=fo-14abea383fe6f595: {'111937-03-2': 'exactMatch'} |
3635799e… |
altLabel |
— |
[{"@value":"Isononanoic acid, C<sub>16-18</sub>-alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:111937-03-2","https://commonchemistry.cas.org/detail?cas_rn=111937-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=isononanoicacid,c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=111937-03-2; added Common Chemistry CAS names as altLabel: Isononanoic acid, C<sub>16-18</sub>-alkyl esters; object_uuid=fo-14abea383fe6f595 |
3635799e… |
cas_match_labels |
— |
{"111937-03-2":"exactMatch"} |
group_key=isononanoicacid,c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'111937-03-2': []}; assigned CAS labels from group consensus; object_uuid=fo-14abea383fe6f595: {'111937-03-2': 'exactMatch'} |
800e8845… |
altLabel |
— |
[{"@value":"Isononanoic acid, C<sub>16-18</sub>-alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:111937-03-2","https://commonchemistry.cas.org/detail?cas_rn=111937-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=isononanoicacid,c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=111937-03-2; added Common Chemistry CAS names as altLabel: Isononanoic acid, C<sub>16-18</sub>-alkyl esters; object_uuid=fo-14abea383fe6f595 |
800e8845… |
cas_match_labels |
— |
{"111937-03-2":"exactMatch"} |
group_key=isononanoicacid,c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'111937-03-2': []}; assigned CAS labels from group consensus; object_uuid=fo-14abea383fe6f595: {'111937-03-2': 'exactMatch'} |
83324721… |
altLabel |
— |
[{"@value":"Isononanoic acid, C<sub>16-18</sub>-alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:111937-03-2","https://commonchemistry.cas.org/detail?cas_rn=111937-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=isononanoicacid,c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=111937-03-2; added Common Chemistry CAS names as altLabel: Isononanoic acid, C<sub>16-18</sub>-alkyl esters; object_uuid=fo-14abea383fe6f595 |
83324721… |
cas_match_labels |
— |
{"111937-03-2":"exactMatch"} |
group_key=isononanoicacid,c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'111937-03-2': []}; assigned CAS labels from group consensus; object_uuid=fo-14abea383fe6f595: {'111937-03-2': 'exactMatch'} |
915a12af… |
altLabel |
— |
[{"@value":"Isononanoic acid, C<sub>16-18</sub>-alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:111937-03-2","https://commonchemistry.cas.org/detail?cas_rn=111937-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=isononanoicacid,c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=111937-03-2; added Common Chemistry CAS names as altLabel: Isononanoic acid, C<sub>16-18</sub>-alkyl esters; object_uuid=fo-14abea383fe6f595 |
915a12af… |
cas_match_labels |
— |
{"111937-03-2":"exactMatch"} |
group_key=isononanoicacid,c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'111937-03-2': []}; assigned CAS labels from group consensus; object_uuid=fo-14abea383fe6f595: {'111937-03-2': 'exactMatch'} |
9a44b503… |
altLabel |
— |
[{"@value":"Isononanoic acid, C<sub>16-18</sub>-alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:111937-03-2","https://commonchemistry.cas.org/detail?cas_rn=111937-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=isononanoicacid,c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=111937-03-2; added Common Chemistry CAS names as altLabel: Isononanoic acid, C<sub>16-18</sub>-alkyl esters; object_uuid=fo-14abea383fe6f595 |
9a44b503… |
cas_match_labels |
— |
{"111937-03-2":"exactMatch"} |
group_key=isononanoicacid,c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'111937-03-2': []}; assigned CAS labels from group consensus; object_uuid=fo-14abea383fe6f595: {'111937-03-2': 'exactMatch'} |
9c3dc0dc… |
altLabel |
— |
[{"@value":"Isononanoic acid, C<sub>16-18</sub>-alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:111937-03-2","https://commonchemistry.cas.org/detail?cas_rn=111937-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=isononanoicacid,c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=111937-03-2; added Common Chemistry CAS names as altLabel: Isononanoic acid, C<sub>16-18</sub>-alkyl esters; object_uuid=fo-14abea383fe6f595 |
9c3dc0dc… |
cas_match_labels |
— |
{"111937-03-2":"exactMatch"} |
group_key=isononanoicacid,c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'111937-03-2': []}; assigned CAS labels from group consensus; object_uuid=fo-14abea383fe6f595: {'111937-03-2': 'exactMatch'} |
a841d158… |
altLabel |
— |
[{"@value":"Isononanoic acid, C<sub>16-18</sub>-alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:111937-03-2","https://commonchemistry.cas.org/detail?cas_rn=111937-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=isononanoicacid,c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=111937-03-2; added Common Chemistry CAS names as altLabel: Isononanoic acid, C<sub>16-18</sub>-alkyl esters; object_uuid=fo-14abea383fe6f595 |
a841d158… |
cas_match_labels |
— |
{"111937-03-2":"exactMatch"} |
group_key=isononanoicacid,c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'111937-03-2': []}; assigned CAS labels from group consensus; object_uuid=fo-14abea383fe6f595: {'111937-03-2': 'exactMatch'} |
bca22805… |
altLabel |
— |
[{"@value":"Isononanoic acid, C<sub>16-18</sub>-alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:111937-03-2","https://commonchemistry.cas.org/detail?cas_rn=111937-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=isononanoicacid,c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=111937-03-2; added Common Chemistry CAS names as altLabel: Isononanoic acid, C<sub>16-18</sub>-alkyl esters; object_uuid=fo-14abea383fe6f595 |
bca22805… |
cas_match_labels |
— |
{"111937-03-2":"exactMatch"} |
group_key=isononanoicacid,c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'111937-03-2': []}; assigned CAS labels from group consensus; object_uuid=fo-14abea383fe6f595: {'111937-03-2': 'exactMatch'} |
ed7c0a34… |
altLabel |
— |
[{"@value":"Isononanoic acid, C<sub>16-18</sub>-alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:111937-03-2","https://commonchemistry.cas.org/detail?cas_rn=111937-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=isononanoicacid,c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=111937-03-2; added Common Chemistry CAS names as altLabel: Isononanoic acid, C<sub>16-18</sub>-alkyl esters; object_uuid=fo-14abea383fe6f595 |
ed7c0a34… |
cas_match_labels |
— |
{"111937-03-2":"exactMatch"} |
group_key=isononanoicacid,c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'111937-03-2': []}; assigned CAS labels from group consensus; object_uuid=fo-14abea383fe6f595: {'111937-03-2': 'exactMatch'} |
fb06153e… |
altLabel |
— |
[{"@value":"Isononanoic acid, C<sub>16-18</sub>-alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:111937-03-2","https://commonchemistry.cas.org/detail?cas_rn=111937-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=isononanoicacid,c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=111937-03-2; added Common Chemistry CAS names as altLabel: Isononanoic acid, C<sub>16-18</sub>-alkyl esters; object_uuid=fo-14abea383fe6f595 |
fb06153e… |
cas_match_labels |
— |
{"111937-03-2":"exactMatch"} |
group_key=isononanoicacid,c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'111937-03-2': []}; assigned CAS labels from group consensus; object_uuid=fo-14abea383fe6f595: {'111937-03-2': 'exactMatch'} |
fed9f583… |
altLabel |
— |
[{"@value":"Isononanoic acid, C<sub>16-18</sub>-alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:111937-03-2","https://commonchemistry.cas.org/detail?cas_rn=111937-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=isononanoicacid,c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=111937-03-2; added Common Chemistry CAS names as altLabel: Isononanoic acid, C<sub>16-18</sub>-alkyl esters; object_uuid=fo-14abea383fe6f595 |
fed9f583… |
cas_match_labels |
— |
{"111937-03-2":"exactMatch"} |
group_key=isononanoicacid,c16-18(evennumbered)-alkylesters||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'111937-03-2': []}; assigned CAS labels from group consensus; object_uuid=fo-14abea383fe6f595: {'111937-03-2': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-14abea383fe6f595",
"prefLabel": [
{
"@value": "Isononanoic Acid, C16-18 (even Numbered)-alkyl Esters",
"@language": "en",
"@lang": "en",
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],
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}
}
],
"altLabel": [
{
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}
],
"properties": {
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"@value": [
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],
"rdfs:label": "Molecular formula",
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],
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}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"XLYOFNOQVPJJNP-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"O"
],
"rdfs:label": "SMILES",
"provenance": {
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"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/H2O/h1H2"
],
"rdfs:label": "InChI",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "pubchem.props.InChI"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"oxidane",
"water"
],
"rdfs:label": "IUPAC name",
"provenance": {
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"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
}
},
"references": [
{
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