← Back to consensus flow objects
Isodecanol
| Flow Object ID | fo-e0d9ead42867a88d | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Type | Consensus | |||||||||
| prefLabel |
|
|||||||||
| Alt Labels |
|
|||||||||
| CAS Numbers |
25339-17-7
|
|||||||||
| EC Numbers |
246-869-1
|
|||||||||
| Changes Applied | 26 |
Provenance
| Field | Value |
|---|---|
| Resolver | hybrid_name_cas_v1 |
| Seed Source | EF 3.1 |
| Seed Flow | 12256e15-2748-4e48-8f73-50a94239a7a1 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
PLLBRTOLHQQAQQ-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C10H22O/c1-10(2)8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3
|
| IUPAC name |
8-methyl-1-nonanol, 8-methylnonan-1-ol
|
| Molecular formula |
C10H22O
|
| Molecular mass |
158.285
|
| Monoisotopic mass |
158.167065
|
| SMILES |
CC(C)CCCCCCCO
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J71.269H
- https://chem.echa.europa.eu/100.042.594
- https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0495
- https://commonchemistry.cas.org/detail?cas_rn=25339-17-7
- https://comptox.epa.gov/dashboard/DTXSID3058660
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3160X491M7
- https://pubchem.ncbi.nlm.nih.gov/compound/32898
- https://pubchem.ncbi.nlm.nih.gov/erg/#3082
- https://www.wikidata.org/wiki/Q121290074
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
3c1eb12b… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 2 | 2 |
98813ff7… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
854df2e5… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 2 |
12256e15… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 2 |
22a52984… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
e7889a7e… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
1590a3f6… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 2 | 2 |
5f09cc59… |
EF 3.1 | kg | Environmental → Ground → Unknown | 2 | 2 |
e2b303e1… |
EF 3.1 | kg | Environmental → Water → Ocean | 2 | 2 |
9d0f779a… |
EF 3.1 | kg | Environmental → Water → Surface water | 2 | 2 |
c77e24c3… |
EF 3.1 | kg | Environmental → Water → Unknown | 2 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
12256e15… |
altLabel |
— |
[{"@value":"Exxal 10","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25339-17-7","https://commonchemistry.cas.org/detail?cas_rn=25339-17-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Isodecanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25339-17-7","https://commonchemistry.cas.org/detail?cas_rn=25339-17-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=isodecylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=25339-17-7; added Common Chemistry CAS names as altLabel: Exxal 10, Isodecanol; object_uuid=fo-e0d9ead42867a88d |
12256e15… |
cas_match_labels |
— |
{"25339-17-7":"exactMatch"} |
group_key=isodecylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25339-17-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e0d9ead42867a88d: {'25339-17-7': 'exactMatch'} |
1590a3f6… |
altLabel |
— |
[{"@value":"Exxal 10","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25339-17-7","https://commonchemistry.cas.org/detail?cas_rn=25339-17-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Isodecanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25339-17-7","https://commonchemistry.cas.org/detail?cas_rn=25339-17-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=isodecylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=25339-17-7; added Common Chemistry CAS names as altLabel: Exxal 10, Isodecanol; object_uuid=fo-e0d9ead42867a88d |
1590a3f6… |
cas_match_labels |
— |
{"25339-17-7":"exactMatch"} |
group_key=isodecylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25339-17-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e0d9ead42867a88d: {'25339-17-7': 'exactMatch'} |
22a52984… |
altLabel |
— |
[{"@value":"Exxal 10","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25339-17-7","https://commonchemistry.cas.org/detail?cas_rn=25339-17-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Isodecanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25339-17-7","https://commonchemistry.cas.org/detail?cas_rn=25339-17-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=isodecylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=25339-17-7; added Common Chemistry CAS names as altLabel: Exxal 10, Isodecanol; object_uuid=fo-e0d9ead42867a88d |
22a52984… |
cas_match_labels |
— |
{"25339-17-7":"exactMatch"} |
group_key=isodecylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25339-17-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e0d9ead42867a88d: {'25339-17-7': 'exactMatch'} |
3c1eb12b… |
altLabel |
— |
[{"@value":"Exxal 10","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25339-17-7","https://commonchemistry.cas.org/detail?cas_rn=25339-17-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Isodecanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25339-17-7","https://commonchemistry.cas.org/detail?cas_rn=25339-17-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=isodecylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=25339-17-7; added Common Chemistry CAS names as altLabel: Exxal 10, Isodecanol; object_uuid=fo-e0d9ead42867a88d |
3c1eb12b… |
cas_match_labels |
— |
{"25339-17-7":"exactMatch"} |
group_key=isodecylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25339-17-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e0d9ead42867a88d: {'25339-17-7': 'exactMatch'} |
5f09cc59… |
altLabel |
— |
[{"@value":"Exxal 10","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25339-17-7","https://commonchemistry.cas.org/detail?cas_rn=25339-17-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Isodecanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25339-17-7","https://commonchemistry.cas.org/detail?cas_rn=25339-17-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=isodecylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=25339-17-7; added Common Chemistry CAS names as altLabel: Exxal 10, Isodecanol; object_uuid=fo-e0d9ead42867a88d |
5f09cc59… |
cas_match_labels |
— |
{"25339-17-7":"exactMatch"} |
group_key=isodecylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25339-17-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e0d9ead42867a88d: {'25339-17-7': 'exactMatch'} |
854df2e5… |
altLabel |
— |
[{"@value":"Exxal 10","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25339-17-7","https://commonchemistry.cas.org/detail?cas_rn=25339-17-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Isodecanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25339-17-7","https://commonchemistry.cas.org/detail?cas_rn=25339-17-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=isodecylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=25339-17-7; added Common Chemistry CAS names as altLabel: Exxal 10, Isodecanol; object_uuid=fo-e0d9ead42867a88d |
854df2e5… |
cas_match_labels |
— |
{"25339-17-7":"exactMatch"} |
group_key=isodecylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25339-17-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e0d9ead42867a88d: {'25339-17-7': 'exactMatch'} |
95bf47e9… |
altLabel |
— |
[{"@value":"Exxal 10","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25339-17-7","https://commonchemistry.cas.org/detail?cas_rn=25339-17-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Isodecanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25339-17-7","https://commonchemistry.cas.org/detail?cas_rn=25339-17-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=isodecylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=25339-17-7; added Common Chemistry CAS names as altLabel: Exxal 10, Isodecanol; object_uuid=fo-e0d9ead42867a88d |
95bf47e9… |
cas_match_labels |
— |
{"25339-17-7":"exactMatch"} |
group_key=isodecylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25339-17-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e0d9ead42867a88d: {'25339-17-7': 'exactMatch'} |
98813ff7… |
altLabel |
— |
[{"@value":"Exxal 10","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25339-17-7","https://commonchemistry.cas.org/detail?cas_rn=25339-17-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Isodecanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25339-17-7","https://commonchemistry.cas.org/detail?cas_rn=25339-17-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=isodecylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=25339-17-7; added Common Chemistry CAS names as altLabel: Exxal 10, Isodecanol; object_uuid=fo-e0d9ead42867a88d |
98813ff7… |
cas_match_labels |
— |
{"25339-17-7":"exactMatch"} |
group_key=isodecylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25339-17-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e0d9ead42867a88d: {'25339-17-7': 'exactMatch'} |
9d0f779a… |
altLabel |
— |
[{"@value":"Exxal 10","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25339-17-7","https://commonchemistry.cas.org/detail?cas_rn=25339-17-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Isodecanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25339-17-7","https://commonchemistry.cas.org/detail?cas_rn=25339-17-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=isodecylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=25339-17-7; added Common Chemistry CAS names as altLabel: Exxal 10, Isodecanol; object_uuid=fo-e0d9ead42867a88d |
9d0f779a… |
cas_match_labels |
— |
{"25339-17-7":"exactMatch"} |
group_key=isodecylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25339-17-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e0d9ead42867a88d: {'25339-17-7': 'exactMatch'} |
c77e24c3… |
altLabel |
— |
[{"@value":"Exxal 10","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25339-17-7","https://commonchemistry.cas.org/detail?cas_rn=25339-17-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Isodecanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25339-17-7","https://commonchemistry.cas.org/detail?cas_rn=25339-17-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=isodecylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=25339-17-7; added Common Chemistry CAS names as altLabel: Exxal 10, Isodecanol; object_uuid=fo-e0d9ead42867a88d |
c77e24c3… |
cas_match_labels |
— |
{"25339-17-7":"exactMatch"} |
group_key=isodecylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25339-17-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e0d9ead42867a88d: {'25339-17-7': 'exactMatch'} |
e2b303e1… |
altLabel |
— |
[{"@value":"Exxal 10","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25339-17-7","https://commonchemistry.cas.org/detail?cas_rn=25339-17-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Isodecanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25339-17-7","https://commonchemistry.cas.org/detail?cas_rn=25339-17-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=isodecylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=25339-17-7; added Common Chemistry CAS names as altLabel: Exxal 10, Isodecanol; object_uuid=fo-e0d9ead42867a88d |
e2b303e1… |
cas_match_labels |
— |
{"25339-17-7":"exactMatch"} |
group_key=isodecylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25339-17-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e0d9ead42867a88d: {'25339-17-7': 'exactMatch'} |
e7889a7e… |
altLabel |
— |
[{"@value":"Exxal 10","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25339-17-7","https://commonchemistry.cas.org/detail?cas_rn=25339-17-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Isodecanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25339-17-7","https://commonchemistry.cas.org/detail?cas_rn=25339-17-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=isodecylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=25339-17-7; added Common Chemistry CAS names as altLabel: Exxal 10, Isodecanol; object_uuid=fo-e0d9ead42867a88d |
e7889a7e… |
cas_match_labels |
— |
{"25339-17-7":"exactMatch"} |
group_key=isodecylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25339-17-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e0d9ead42867a88d: {'25339-17-7': 'exactMatch'} |
fab89053… |
altLabel |
— |
[{"@value":"Exxal 10","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25339-17-7","https://commonchemistry.cas.org/detail?cas_rn=25339-17-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Isodecanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25339-17-7","https://commonchemistry.cas.org/detail?cas_rn=25339-17-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=isodecylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=25339-17-7; added Common Chemistry CAS names as altLabel: Exxal 10, Isodecanol; object_uuid=fo-e0d9ead42867a88d |
fab89053… |
cas_match_labels |
— |
{"25339-17-7":"exactMatch"} |
group_key=isodecylalcohol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'25339-17-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e0d9ead42867a88d: {'25339-17-7': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-e0d9ead42867a88d",
"prefLabel": [
{
"@value": "Isodecanol",
"@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": "Exxal 10",
"@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": "Isodecyl Alcohol",
"@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": [
"C10H22O"
],
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:32898"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CCCCCCCO"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"PLLBRTOLHQQAQQ-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:32898"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CCCCCCCO"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CC(C)CCCCCCCO"
],
"rdfs:label": "SMILES",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:32898"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CCCCCCCO"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C10H22O/c1-10(2)8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3"
],
"rdfs:label": "InChI",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:32898"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CCCCCCCO"
]
}
]
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"8-methyl-1-nonanol",
"8-methylnonan-1-ol"
],
"rdfs:label": "IUPAC name",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:32898"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
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