← Back to consensus flow objects
3,4-dimethylbenzaldehyde
| Flow Object ID | fo-e1eee14af2a0d21b | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Type | Consensus | |||||||||
| prefLabel |
|
|||||||||
| Alt Labels |
|
|||||||||
| CAS Numbers | 5973-71-7 | |||||||||
| EC Numbers | 227-770-2 | |||||||||
| Changes Applied | 26 |
Properties
| Predicate | Value |
|---|---|
| Formal charge |
0
|
| InChIKey |
POQJHLBMLVTHAU-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C9H10O/c1-7-3-4-9(6-10)5-8(7)2/h3-6H,1-2H3
|
| IUPAC name |
3,4-dimethylbenzaldehyde
|
| Molecular formula |
C9H10O
|
| Molecular mass |
134.178
|
| Monoisotopic mass |
134.07316
|
| SMILES |
CC1=C(C=C(C=C1)C=O)C, Cc1ccc(C=O)cc1C
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J42.310F
- https://chem.echa.europa.eu/100.025.246
- https://commonchemistry.cas.org/detail?cas_rn=5973-71-7
- https://comptox.epa.gov/dashboard/DTXSID2041626
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/16G1J12ARB
- https://pubchem.ncbi.nlm.nih.gov/compound/22278
- https://www.chemspider.com/Chemical-Structure.21170540.html
- https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:167406
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187739
- https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130681
- https://www.wikidata.org/wiki/Q27251808
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
73495a09… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 4 | 2 |
ea24a0a6… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
c3ba043e… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 4 | 2 |
09b3e31b… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 4 | 2 |
5f96bfa5… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
a01194e7… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
1edf12ce… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 4 | 2 |
7f504a04… |
EF 3.1 | kg | Environmental → Ground → Unknown | 4 | 2 |
9da45510… |
EF 3.1 | kg | Environmental → Water → Ocean | 4 | 2 |
12995c2a… |
EF 3.1 | kg | Environmental → Water → Surface water | 4 | 2 |
a964843b… |
EF 3.1 | kg | Environmental → Water → Unknown | 4 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
09b3e31b… |
altLabel |
— |
[{"@value":"3,4-DBAL","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5973-71-7","https://commonchemistry.cas.org/detail?cas_rn=5973-71-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzaldehyde, 3,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5973-71-7","https://commonchemistry.cas.org/detail?cas_rn=5973-71-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=3,4-dimethylbenzaldehyde||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=5973-71-7; added Common Chemistry CAS names as altLabel: 3,4-DBAL, Benzaldehyde, 3,4-dimethyl-; object_uuid=fo-e1eee14af2a0d21b |
09b3e31b… |
cas_match_labels |
— |
{"5973-71-7":"exactMatch"} |
group_key=3,4-dimethylbenzaldehyde||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5973-71-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1eee14af2a0d21b: {'5973-71-7': 'exactMatch'} |
12995c2a… |
altLabel |
— |
[{"@value":"3,4-DBAL","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5973-71-7","https://commonchemistry.cas.org/detail?cas_rn=5973-71-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzaldehyde, 3,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5973-71-7","https://commonchemistry.cas.org/detail?cas_rn=5973-71-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=3,4-dimethylbenzaldehyde||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=5973-71-7; added Common Chemistry CAS names as altLabel: 3,4-DBAL, Benzaldehyde, 3,4-dimethyl-; object_uuid=fo-e1eee14af2a0d21b |
12995c2a… |
cas_match_labels |
— |
{"5973-71-7":"exactMatch"} |
group_key=3,4-dimethylbenzaldehyde||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5973-71-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1eee14af2a0d21b: {'5973-71-7': 'exactMatch'} |
1edf12ce… |
altLabel |
— |
[{"@value":"3,4-DBAL","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5973-71-7","https://commonchemistry.cas.org/detail?cas_rn=5973-71-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzaldehyde, 3,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5973-71-7","https://commonchemistry.cas.org/detail?cas_rn=5973-71-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=3,4-dimethylbenzaldehyde||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=5973-71-7; added Common Chemistry CAS names as altLabel: 3,4-DBAL, Benzaldehyde, 3,4-dimethyl-; object_uuid=fo-e1eee14af2a0d21b |
1edf12ce… |
cas_match_labels |
— |
{"5973-71-7":"exactMatch"} |
group_key=3,4-dimethylbenzaldehyde||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5973-71-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1eee14af2a0d21b: {'5973-71-7': 'exactMatch'} |
5f96bfa5… |
altLabel |
— |
[{"@value":"3,4-DBAL","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5973-71-7","https://commonchemistry.cas.org/detail?cas_rn=5973-71-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzaldehyde, 3,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5973-71-7","https://commonchemistry.cas.org/detail?cas_rn=5973-71-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=3,4-dimethylbenzaldehyde||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=5973-71-7; added Common Chemistry CAS names as altLabel: 3,4-DBAL, Benzaldehyde, 3,4-dimethyl-; object_uuid=fo-e1eee14af2a0d21b |
5f96bfa5… |
cas_match_labels |
— |
{"5973-71-7":"exactMatch"} |
group_key=3,4-dimethylbenzaldehyde||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5973-71-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1eee14af2a0d21b: {'5973-71-7': 'exactMatch'} |
73495a09… |
altLabel |
— |
[{"@value":"3,4-DBAL","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5973-71-7","https://commonchemistry.cas.org/detail?cas_rn=5973-71-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzaldehyde, 3,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5973-71-7","https://commonchemistry.cas.org/detail?cas_rn=5973-71-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=3,4-dimethylbenzaldehyde||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=5973-71-7; added Common Chemistry CAS names as altLabel: 3,4-DBAL, Benzaldehyde, 3,4-dimethyl-; object_uuid=fo-e1eee14af2a0d21b |
73495a09… |
cas_match_labels |
— |
{"5973-71-7":"exactMatch"} |
group_key=3,4-dimethylbenzaldehyde||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5973-71-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1eee14af2a0d21b: {'5973-71-7': 'exactMatch'} |
7f504a04… |
altLabel |
— |
[{"@value":"3,4-DBAL","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5973-71-7","https://commonchemistry.cas.org/detail?cas_rn=5973-71-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzaldehyde, 3,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5973-71-7","https://commonchemistry.cas.org/detail?cas_rn=5973-71-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=3,4-dimethylbenzaldehyde||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=5973-71-7; added Common Chemistry CAS names as altLabel: 3,4-DBAL, Benzaldehyde, 3,4-dimethyl-; object_uuid=fo-e1eee14af2a0d21b |
7f504a04… |
cas_match_labels |
— |
{"5973-71-7":"exactMatch"} |
group_key=3,4-dimethylbenzaldehyde||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5973-71-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1eee14af2a0d21b: {'5973-71-7': 'exactMatch'} |
9da45510… |
altLabel |
— |
[{"@value":"3,4-DBAL","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5973-71-7","https://commonchemistry.cas.org/detail?cas_rn=5973-71-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzaldehyde, 3,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5973-71-7","https://commonchemistry.cas.org/detail?cas_rn=5973-71-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=3,4-dimethylbenzaldehyde||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=5973-71-7; added Common Chemistry CAS names as altLabel: 3,4-DBAL, Benzaldehyde, 3,4-dimethyl-; object_uuid=fo-e1eee14af2a0d21b |
9da45510… |
cas_match_labels |
— |
{"5973-71-7":"exactMatch"} |
group_key=3,4-dimethylbenzaldehyde||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5973-71-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1eee14af2a0d21b: {'5973-71-7': 'exactMatch'} |
a01194e7… |
altLabel |
— |
[{"@value":"3,4-DBAL","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5973-71-7","https://commonchemistry.cas.org/detail?cas_rn=5973-71-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzaldehyde, 3,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5973-71-7","https://commonchemistry.cas.org/detail?cas_rn=5973-71-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=3,4-dimethylbenzaldehyde||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=5973-71-7; added Common Chemistry CAS names as altLabel: 3,4-DBAL, Benzaldehyde, 3,4-dimethyl-; object_uuid=fo-e1eee14af2a0d21b |
a01194e7… |
cas_match_labels |
— |
{"5973-71-7":"exactMatch"} |
group_key=3,4-dimethylbenzaldehyde||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5973-71-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1eee14af2a0d21b: {'5973-71-7': 'exactMatch'} |
a964843b… |
altLabel |
— |
[{"@value":"3,4-DBAL","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5973-71-7","https://commonchemistry.cas.org/detail?cas_rn=5973-71-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzaldehyde, 3,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5973-71-7","https://commonchemistry.cas.org/detail?cas_rn=5973-71-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=3,4-dimethylbenzaldehyde||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=5973-71-7; added Common Chemistry CAS names as altLabel: 3,4-DBAL, Benzaldehyde, 3,4-dimethyl-; object_uuid=fo-e1eee14af2a0d21b |
a964843b… |
cas_match_labels |
— |
{"5973-71-7":"exactMatch"} |
group_key=3,4-dimethylbenzaldehyde||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5973-71-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1eee14af2a0d21b: {'5973-71-7': 'exactMatch'} |
b510c647… |
altLabel |
— |
[{"@value":"3,4-DBAL","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5973-71-7","https://commonchemistry.cas.org/detail?cas_rn=5973-71-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzaldehyde, 3,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5973-71-7","https://commonchemistry.cas.org/detail?cas_rn=5973-71-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=3,4-dimethylbenzaldehyde||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=5973-71-7; added Common Chemistry CAS names as altLabel: 3,4-DBAL, Benzaldehyde, 3,4-dimethyl-; object_uuid=fo-e1eee14af2a0d21b |
b510c647… |
cas_match_labels |
— |
{"5973-71-7":"exactMatch"} |
group_key=3,4-dimethylbenzaldehyde||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5973-71-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1eee14af2a0d21b: {'5973-71-7': 'exactMatch'} |
c3ba043e… |
altLabel |
— |
[{"@value":"3,4-DBAL","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5973-71-7","https://commonchemistry.cas.org/detail?cas_rn=5973-71-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzaldehyde, 3,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5973-71-7","https://commonchemistry.cas.org/detail?cas_rn=5973-71-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=3,4-dimethylbenzaldehyde||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=5973-71-7; added Common Chemistry CAS names as altLabel: 3,4-DBAL, Benzaldehyde, 3,4-dimethyl-; object_uuid=fo-e1eee14af2a0d21b |
c3ba043e… |
cas_match_labels |
— |
{"5973-71-7":"exactMatch"} |
group_key=3,4-dimethylbenzaldehyde||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5973-71-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1eee14af2a0d21b: {'5973-71-7': 'exactMatch'} |
ea24a0a6… |
altLabel |
— |
[{"@value":"3,4-DBAL","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5973-71-7","https://commonchemistry.cas.org/detail?cas_rn=5973-71-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzaldehyde, 3,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5973-71-7","https://commonchemistry.cas.org/detail?cas_rn=5973-71-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=3,4-dimethylbenzaldehyde||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=5973-71-7; added Common Chemistry CAS names as altLabel: 3,4-DBAL, Benzaldehyde, 3,4-dimethyl-; object_uuid=fo-e1eee14af2a0d21b |
ea24a0a6… |
cas_match_labels |
— |
{"5973-71-7":"exactMatch"} |
group_key=3,4-dimethylbenzaldehyde||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5973-71-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1eee14af2a0d21b: {'5973-71-7': 'exactMatch'} |
f3d45e0b… |
altLabel |
— |
[{"@value":"3,4-DBAL","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5973-71-7","https://commonchemistry.cas.org/detail?cas_rn=5973-71-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Benzaldehyde, 3,4-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:5973-71-7","https://commonchemistry.cas.org/detail?cas_rn=5973-71-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=3,4-dimethylbenzaldehyde||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=5973-71-7; added Common Chemistry CAS names as altLabel: 3,4-DBAL, Benzaldehyde, 3,4-dimethyl-; object_uuid=fo-e1eee14af2a0d21b |
f3d45e0b… |
cas_match_labels |
— |
{"5973-71-7":"exactMatch"} |
group_key=3,4-dimethylbenzaldehyde||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'5973-71-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1eee14af2a0d21b: {'5973-71-7': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-e1eee14af2a0d21b",
"prefLabel": [
{
"@value": "3,4-dimethylbenzaldehyde",
"@language": "en",
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}
}
],
"altLabel": [
{
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{
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"properties": {
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"@value": [
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],
"rdfs:label": "Molecular formula",
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},
"https://w3id.org/chemrof/smiles_string": {
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"@value": [
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"rdfs:label": "SMILES",
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},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
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],
"rdfs:label": "InChI",
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