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Diisodecyl Phthalate
| Flow Object ID | fo-6bf34e0c960f9561 | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Type | Consensus | |||||||||
| prefLabel |
|
|||||||||
| Alt Labels |
|
|||||||||
| CAS Numbers | 68515-49-1 | |||||||||
| EC Numbers | 271-091-4 | |||||||||
| Changes Applied | 26 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
ZVFDTKUVRCTHQE-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3
|
| IUPAC name |
benzene-1,2-dicarboxylic acid bis(8-methylnonyl) ester, bis(8-methylnonyl) benzene-1,2-dicarboxylate
|
| Molecular formula |
C28H46O4
|
| SMILES |
CC(C)CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC(C)C
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.799K
- https://chem.echa.europa.eu/100.001.713
- https://chem.echa.europa.eu/100.043.601
- https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0875
- https://commonchemistry.cas.org/detail?cas_rn=119394-45-5
- https://commonchemistry.cas.org/detail?cas_rn=68515-49-1
- https://commonchemistry.cas.org/detail?cas_rn=89-16-7
- https://comptox.epa.gov/dashboard/DTXSID50274032
- https://en.wikipedia.org/wiki/Diisodecyl_phthalate
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WF93T741QI
- https://hmdb.ca/metabolites/HMDB0251351
- https://pubchem.ncbi.nlm.nih.gov/compound/33599
- https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34709
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183266
- https://www.kegg.jp/entry/C14578
- https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130609
- https://www.wikidata.org/wiki/Q72467307
- https://www.wikidata.org/wiki/Q904337
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
d65b7cde… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 2 | 2 |
d49becfe… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
b4d2d9b1… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 2 |
ee0d8d0a… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 2 |
5f80b45f… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
7beca5f4… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
505e9a0a… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 2 | 2 |
9b3fdd6c… |
EF 3.1 | kg | Environmental → Ground → Unknown | 2 | 2 |
765607d8… |
EF 3.1 | kg | Environmental → Water → Ocean | 2 | 2 |
ac88c7b2… |
EF 3.1 | kg | Environmental → Water → Surface water | 2 | 2 |
4bef2f2b… |
EF 3.1 | kg | Environmental → Water → Unknown | 2 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
4bef2f2b… |
altLabel |
— |
[{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>9-11</sub>-branched alkyl esters, C<sub>10</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-49-1","https://commonchemistry.cas.org/detail?cas_rn=68515-49-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1,2-benzenedicarboxylicacid,di-c9-11-branchedalkylesters,c10-rich||dimension=Environmental > media=Water > water_body=Unknown; cas=68515-49-1; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>9-11</sub>-branched alkyl esters, C<sub>10</sub>-rich; object_uuid=fo-6bf34e0c960f9561 |
4bef2f2b… |
cas_match_labels |
— |
{"68515-49-1":"exactMatch"} |
group_key=1,2-benzenedicarboxylicacid,di-c9-11-branchedalkylesters,c10-rich||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-49-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6bf34e0c960f9561: {'68515-49-1': 'exactMatch'} |
505e9a0a… |
altLabel |
— |
[{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>9-11</sub>-branched alkyl esters, C<sub>10</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-49-1","https://commonchemistry.cas.org/detail?cas_rn=68515-49-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1,2-benzenedicarboxylicacid,di-c9-11-branchedalkylesters,c10-rich||dimension=Environmental > media=Water > water_body=Unknown; cas=68515-49-1; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>9-11</sub>-branched alkyl esters, C<sub>10</sub>-rich; object_uuid=fo-6bf34e0c960f9561 |
505e9a0a… |
cas_match_labels |
— |
{"68515-49-1":"exactMatch"} |
group_key=1,2-benzenedicarboxylicacid,di-c9-11-branchedalkylesters,c10-rich||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-49-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6bf34e0c960f9561: {'68515-49-1': 'exactMatch'} |
5f80b45f… |
altLabel |
— |
[{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>9-11</sub>-branched alkyl esters, C<sub>10</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-49-1","https://commonchemistry.cas.org/detail?cas_rn=68515-49-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1,2-benzenedicarboxylicacid,di-c9-11-branchedalkylesters,c10-rich||dimension=Environmental > media=Water > water_body=Unknown; cas=68515-49-1; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>9-11</sub>-branched alkyl esters, C<sub>10</sub>-rich; object_uuid=fo-6bf34e0c960f9561 |
5f80b45f… |
cas_match_labels |
— |
{"68515-49-1":"exactMatch"} |
group_key=1,2-benzenedicarboxylicacid,di-c9-11-branchedalkylesters,c10-rich||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-49-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6bf34e0c960f9561: {'68515-49-1': 'exactMatch'} |
654e412b… |
altLabel |
— |
[{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>9-11</sub>-branched alkyl esters, C<sub>10</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-49-1","https://commonchemistry.cas.org/detail?cas_rn=68515-49-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1,2-benzenedicarboxylicacid,di-c9-11-branchedalkylesters,c10-rich||dimension=Environmental > media=Water > water_body=Unknown; cas=68515-49-1; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>9-11</sub>-branched alkyl esters, C<sub>10</sub>-rich; object_uuid=fo-6bf34e0c960f9561 |
654e412b… |
cas_match_labels |
— |
{"68515-49-1":"exactMatch"} |
group_key=1,2-benzenedicarboxylicacid,di-c9-11-branchedalkylesters,c10-rich||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-49-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6bf34e0c960f9561: {'68515-49-1': 'exactMatch'} |
765607d8… |
altLabel |
— |
[{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>9-11</sub>-branched alkyl esters, C<sub>10</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-49-1","https://commonchemistry.cas.org/detail?cas_rn=68515-49-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1,2-benzenedicarboxylicacid,di-c9-11-branchedalkylesters,c10-rich||dimension=Environmental > media=Water > water_body=Unknown; cas=68515-49-1; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>9-11</sub>-branched alkyl esters, C<sub>10</sub>-rich; object_uuid=fo-6bf34e0c960f9561 |
765607d8… |
cas_match_labels |
— |
{"68515-49-1":"exactMatch"} |
group_key=1,2-benzenedicarboxylicacid,di-c9-11-branchedalkylesters,c10-rich||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-49-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6bf34e0c960f9561: {'68515-49-1': 'exactMatch'} |
7beca5f4… |
altLabel |
— |
[{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>9-11</sub>-branched alkyl esters, C<sub>10</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-49-1","https://commonchemistry.cas.org/detail?cas_rn=68515-49-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1,2-benzenedicarboxylicacid,di-c9-11-branchedalkylesters,c10-rich||dimension=Environmental > media=Water > water_body=Unknown; cas=68515-49-1; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>9-11</sub>-branched alkyl esters, C<sub>10</sub>-rich; object_uuid=fo-6bf34e0c960f9561 |
7beca5f4… |
cas_match_labels |
— |
{"68515-49-1":"exactMatch"} |
group_key=1,2-benzenedicarboxylicacid,di-c9-11-branchedalkylesters,c10-rich||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-49-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6bf34e0c960f9561: {'68515-49-1': 'exactMatch'} |
9b3fdd6c… |
altLabel |
— |
[{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>9-11</sub>-branched alkyl esters, C<sub>10</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-49-1","https://commonchemistry.cas.org/detail?cas_rn=68515-49-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1,2-benzenedicarboxylicacid,di-c9-11-branchedalkylesters,c10-rich||dimension=Environmental > media=Water > water_body=Unknown; cas=68515-49-1; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>9-11</sub>-branched alkyl esters, C<sub>10</sub>-rich; object_uuid=fo-6bf34e0c960f9561 |
9b3fdd6c… |
cas_match_labels |
— |
{"68515-49-1":"exactMatch"} |
group_key=1,2-benzenedicarboxylicacid,di-c9-11-branchedalkylesters,c10-rich||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-49-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6bf34e0c960f9561: {'68515-49-1': 'exactMatch'} |
a5aed395… |
altLabel |
— |
[{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>9-11</sub>-branched alkyl esters, C<sub>10</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-49-1","https://commonchemistry.cas.org/detail?cas_rn=68515-49-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1,2-benzenedicarboxylicacid,di-c9-11-branchedalkylesters,c10-rich||dimension=Environmental > media=Water > water_body=Unknown; cas=68515-49-1; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>9-11</sub>-branched alkyl esters, C<sub>10</sub>-rich; object_uuid=fo-6bf34e0c960f9561 |
a5aed395… |
cas_match_labels |
— |
{"68515-49-1":"exactMatch"} |
group_key=1,2-benzenedicarboxylicacid,di-c9-11-branchedalkylesters,c10-rich||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-49-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6bf34e0c960f9561: {'68515-49-1': 'exactMatch'} |
ac88c7b2… |
altLabel |
— |
[{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>9-11</sub>-branched alkyl esters, C<sub>10</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-49-1","https://commonchemistry.cas.org/detail?cas_rn=68515-49-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1,2-benzenedicarboxylicacid,di-c9-11-branchedalkylesters,c10-rich||dimension=Environmental > media=Water > water_body=Unknown; cas=68515-49-1; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>9-11</sub>-branched alkyl esters, C<sub>10</sub>-rich; object_uuid=fo-6bf34e0c960f9561 |
ac88c7b2… |
cas_match_labels |
— |
{"68515-49-1":"exactMatch"} |
group_key=1,2-benzenedicarboxylicacid,di-c9-11-branchedalkylesters,c10-rich||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-49-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6bf34e0c960f9561: {'68515-49-1': 'exactMatch'} |
b4d2d9b1… |
altLabel |
— |
[{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>9-11</sub>-branched alkyl esters, C<sub>10</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-49-1","https://commonchemistry.cas.org/detail?cas_rn=68515-49-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1,2-benzenedicarboxylicacid,di-c9-11-branchedalkylesters,c10-rich||dimension=Environmental > media=Water > water_body=Unknown; cas=68515-49-1; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>9-11</sub>-branched alkyl esters, C<sub>10</sub>-rich; object_uuid=fo-6bf34e0c960f9561 |
b4d2d9b1… |
cas_match_labels |
— |
{"68515-49-1":"exactMatch"} |
group_key=1,2-benzenedicarboxylicacid,di-c9-11-branchedalkylesters,c10-rich||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-49-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6bf34e0c960f9561: {'68515-49-1': 'exactMatch'} |
d49becfe… |
altLabel |
— |
[{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>9-11</sub>-branched alkyl esters, C<sub>10</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-49-1","https://commonchemistry.cas.org/detail?cas_rn=68515-49-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1,2-benzenedicarboxylicacid,di-c9-11-branchedalkylesters,c10-rich||dimension=Environmental > media=Water > water_body=Unknown; cas=68515-49-1; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>9-11</sub>-branched alkyl esters, C<sub>10</sub>-rich; object_uuid=fo-6bf34e0c960f9561 |
d49becfe… |
cas_match_labels |
— |
{"68515-49-1":"exactMatch"} |
group_key=1,2-benzenedicarboxylicacid,di-c9-11-branchedalkylesters,c10-rich||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-49-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6bf34e0c960f9561: {'68515-49-1': 'exactMatch'} |
d65b7cde… |
altLabel |
— |
[{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>9-11</sub>-branched alkyl esters, C<sub>10</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-49-1","https://commonchemistry.cas.org/detail?cas_rn=68515-49-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1,2-benzenedicarboxylicacid,di-c9-11-branchedalkylesters,c10-rich||dimension=Environmental > media=Water > water_body=Unknown; cas=68515-49-1; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>9-11</sub>-branched alkyl esters, C<sub>10</sub>-rich; object_uuid=fo-6bf34e0c960f9561 |
d65b7cde… |
cas_match_labels |
— |
{"68515-49-1":"exactMatch"} |
group_key=1,2-benzenedicarboxylicacid,di-c9-11-branchedalkylesters,c10-rich||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-49-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6bf34e0c960f9561: {'68515-49-1': 'exactMatch'} |
ee0d8d0a… |
altLabel |
— |
[{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>9-11</sub>-branched alkyl esters, C<sub>10</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-49-1","https://commonchemistry.cas.org/detail?cas_rn=68515-49-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1,2-benzenedicarboxylicacid,di-c9-11-branchedalkylesters,c10-rich||dimension=Environmental > media=Water > water_body=Unknown; cas=68515-49-1; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>9-11</sub>-branched alkyl esters, C<sub>10</sub>-rich; object_uuid=fo-6bf34e0c960f9561 |
ee0d8d0a… |
cas_match_labels |
— |
{"68515-49-1":"exactMatch"} |
group_key=1,2-benzenedicarboxylicacid,di-c9-11-branchedalkylesters,c10-rich||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-49-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6bf34e0c960f9561: {'68515-49-1': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-6bf34e0c960f9561",
"prefLabel": [
{
"@value": "Diisodecyl Phthalate",
"@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": "1,2-Benzenedicarboxylic Acid, di-C9-11-branched Alkyl Esters, C10-rich",
"@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": "1,2-Benzenedicarboxylic acid, di-C<sub>9-11</sub>-branched alkyl esters, C<sub>10</sub>-rich",
"@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": [
"C28H46O4"
],
"rdfs:label": "Molecular formula",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:33599"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"ZVFDTKUVRCTHQE-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:33599"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CC(C)CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC(C)C"
],
"rdfs:label": "SMILES",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:33599"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3"
],
"rdfs:label": "InChI",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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