(-)-alpha-Pinene
| UUID | 29061447-6556-11dd-ad8b-0800200c9a66 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Deprecated | yes | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Replaced By | 29061446-6556-11dd-ad8b-0800200c9a66 |
||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Flow Object ID | fo-edcb666137504bfc | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Source | EF 3.1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Context | Environmental → Water → Unknown | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Numbers |
7785-26-4
|
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| EC Numbers |
232-077-3
|
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| prefLabel ⓘ |
|
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| altLabel ⓘ |
|
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| References |
|
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| Shared Properties |
|
Source List References
| List | Version | Source Flow UUID | Source Flow Name |
|---|---|---|---|
| EF | 3.1 | 29061447-6556-11dd-ad8b-0800200c9a66 |
(1s)-(-)-alpha-pinene |
Consolidated Field Provenance
0 total PROV activity record(s) for this flow.
| Field | Change Count | Latest Time | Transformers | Latest Comment |
|---|---|---|---|---|
altLabel |
2 | — |
consensus_match | group_key=(1s)-(-)-alpha-pinene||dimension=Environmental > media=Ground > geography=Agricultural; cas=7785-26-4; added Common Chemistry CAS names as altLabel: (-)-(1<em>S</em>)-α-Pinene, (-)-2-Pinene, (1<em>S</em>)-(-)-α-Pinene, (1<em>S</em>,5<em>S</em>)-(-)-α-Pinene, (1<em>S</em>,5<em>S</em>)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene, (<em>S</em>)-(-)-Pinene, (<em>S</em>)-(-)-α-Pinene, 1<em>S</em>-α-Pinene, 2-Pinene, (1<em>S</em>,5<em>S</em>)-(-)-, <em>l</em>-α-Pinene, Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1<em>S</em>)-, Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1<em>S</em>,5<em>S</em>)-; object_uuid=fo-edcb666137504bfc |
cas_match_labels |
1 | — |
consensus_match | group_key=(1s)-(-)-alpha-pinene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory']; cas_sources={'7785-26-4': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-edcb666137504bfc: {'7785-26-4': 'exactMatch'} |
prefLabel |
1 | — |
consensus_match | cas=7785-26-4; cc_chebi_agreed_name='(-)-α-Pinene'; object_uuid=fo-edcb666137504bfc |
Context Attributes
| Attribute | Value |
|---|---|
| dimension | Environmental |
| media | Water |
| water_body | Unknown |
Consensus Changes
| Field | Old Value | New Value | Comment |
|---|---|---|---|
prefLabel |
[{'@value': '(1s)-(-)-alpha-pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] |
[{'@value': '(-)-α-Pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7785-26-4'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] |
cas=7785-26-4; cc_chebi_agreed_name='(-)-α-Pinene'; object_uuid=fo-edcb666137504bfc |
altLabel |
[{'@value': '(-)-alpha-Pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(-)-alpha-Pinene', 'http://purl.obolibrary.org/obo/CHEBI_28660', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene', 'http://purl.obolibrary.org/obo/CHEBI_28660', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene', 'http://purl.obolibrary.org/obo/CHEBI_28660', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1S,5S)-alpha-pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1S,5S)-alpha-pinene', 'http://purl.obolibrary.org/obo/CHEBI_28660', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1S,5S)-pin-2-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1S,5S)-pin-2-ene', 'http://purl.obolibrary.org/obo/CHEBI_28660', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] |
[{'@value': '(-)-alpha-Pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(-)-alpha-Pinene', 'http://purl.obolibrary.org/obo/CHEBI_28660', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene', 'http://purl.obolibrary.org/obo/CHEBI_28660', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene', 'http://purl.obolibrary.org/obo/CHEBI_28660', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1S,5S)-alpha-pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1S,5S)-alpha-pinene', 'http://purl.obolibrary.org/obo/CHEBI_28660', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1S,5S)-pin-2-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1S,5S)-pin-2-ene', 'http://purl.obolibrary.org/obo/CHEBI_28660', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1s)-(-)-alpha-pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] |
cas=7785-26-4; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-edcb666137504bfc |
altLabel |
[{'@value': '(-)-alpha-Pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(-)-alpha-Pinene', 'http://purl.obolibrary.org/obo/CHEBI_28660', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene', 'http://purl.obolibrary.org/obo/CHEBI_28660', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene', 'http://purl.obolibrary.org/obo/CHEBI_28660', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1S,5S)-alpha-pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1S,5S)-alpha-pinene', 'http://purl.obolibrary.org/obo/CHEBI_28660', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1S,5S)-pin-2-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1S,5S)-pin-2-ene', 'http://purl.obolibrary.org/obo/CHEBI_28660', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1s)-(-)-alpha-pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] |
[{'@value': '(-)-alpha-Pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(-)-alpha-Pinene', 'http://purl.obolibrary.org/obo/CHEBI_28660', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene', 'http://purl.obolibrary.org/obo/CHEBI_28660', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene', 'http://purl.obolibrary.org/obo/CHEBI_28660', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1S,5S)-alpha-pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1S,5S)-alpha-pinene', 'http://purl.obolibrary.org/obo/CHEBI_28660', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(1S,5S)-pin-2-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(1S,5S)-pin-2-ene', 'http://purl.obolibrary.org/obo/CHEBI_28660', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(-)-(1<em>S</em>)-α-Pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7785-26-4', 'https://commonchemistry.cas.org/detail?cas_rn=7785-26-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(-)-2-Pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7785-26-4', 'https://commonchemistry.cas.org/detail?cas_rn=7785-26-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(1<em>S</em>)-(-)-α-Pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7785-26-4', 'https://commonchemistry.cas.org/detail?cas_rn=7785-26-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(1<em>S</em>,5<em>S</em>)-(-)-α-Pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7785-26-4', 'https://commonchemistry.cas.org/detail?cas_rn=7785-26-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(1<em>S</em>,5<em>S</em>)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7785-26-4', 'https://commonchemistry.cas.org/detail?cas_rn=7785-26-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(<em>S</em>)-(-)-Pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7785-26-4', 'https://commonchemistry.cas.org/detail?cas_rn=7785-26-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(<em>S</em>)-(-)-α-Pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7785-26-4', 'https://commonchemistry.cas.org/detail?cas_rn=7785-26-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1<em>S</em>-α-Pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7785-26-4', 'https://commonchemistry.cas.org/detail?cas_rn=7785-26-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Pinene, (1<em>S</em>,5<em>S</em>)-(-)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7785-26-4', 'https://commonchemistry.cas.org/detail?cas_rn=7785-26-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>l</em>-α-Pinene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7785-26-4', 'https://commonchemistry.cas.org/detail?cas_rn=7785-26-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1<em>S</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7785-26-4', 'https://commonchemistry.cas.org/detail?cas_rn=7785-26-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1<em>S</em>,5<em>S</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7785-26-4', 'https://commonchemistry.cas.org/detail?cas_rn=7785-26-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] |
group_key=(1s)-(-)-alpha-pinene||dimension=Environmental > media=Ground > geography=Agricultural; cas=7785-26-4; added Common Chemistry CAS names as altLabel: (-)-(1<em>S</em>)-α-Pinene, (-)-2-Pinene, (1<em>S</em>)-(-)-α-Pinene, (1<em>S</em>,5<em>S</em>)-(-)-α-Pinene, (1<em>S</em>,5<em>S</em>)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene, (<em>S</em>)-(-)-Pinene, (<em>S</em>)-(-)-α-Pinene, 1<em>S</em>-α-Pinene, 2-Pinene, (1<em>S</em>,5<em>S</em>)-(-)-, <em>l</em>-α-Pinene, Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1<em>S</em>)-, Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1<em>S</em>,5<em>S</em>)-; object_uuid=fo-edcb666137504bfc |
cas_match_labels |
None |
{'7785-26-4': 'exactMatch'} |
group_key=(1s)-(-)-alpha-pinene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory']; cas_sources={'7785-26-4': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-edcb666137504bfc: {'7785-26-4': 'exactMatch'} |
PROV-O Consensus Activity Trail
No PROV-O consensus activities found for this flow.
Full Flow JSON
{
"uuid": "29061447-6556-11dd-ad8b-0800200c9a66",
"name": null,
"cas_numbers": [
"7785-26-4"
],
"ec_numbers": [
"232-077-3"
],
"context": {
"dimension": "Environmental",
"media": "Water",
"water_body": "Unknown"
},
"general_comment": null,
"synonyms": [],
"unit": "kg",
"lcia_methods": [],
"source": "EF 3.1",
"identifier": "29061447-6556-11dd-ad8b-0800200c9a66",
"input_datasets": [
"EF 3.1"
],
"source_refs": [
{
"list_name": "EF",
"list_version": "3.1",
"source_flow_uuid": "29061447-6556-11dd-ad8b-0800200c9a66",
"source_flow_name": "(1s)-(-)-alpha-pinene",
"source_metadata": {
"input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
"input_dataset": "EF 3.1",
"original_context": [
"Emissions",
"Emissions to water",
"Emissions to water, unspecified (long-term)"
]
}
}
],
"prefLabel": [
{
"@value": "(-)-alpha-Pinene",
"@language": "en",
"source": {
"prov:wasGeneratedBy": "pubchem_readable_name",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:7785-26-4",
"CID:440968"
],
"prov:wasDerivedFrom": "pubchem record title"
}
}
],
"_sources": {
"prefLabel": "pubchem_readable_name",
"name": "bootstrap_labels",
"synonyms": "bootstrap_labels",
"context": "default_context_mapping",
"context_iri": "default_context_mapping",
"unit_iri": "unit_normalization",
"properties": "enrich_references",
"skos:definition": "enrich_references",
"references": "enrich_references",
"altLabel": "pubchem_readable_name",
"cas_match_labels": "consensus_match"
},
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unkn",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C10H16"
],
"rdfs:label": "Molecular formula",
"provenance": [
{
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"prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
},
{
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"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CC1=CCC2CC1C2(C)C",
"CC1=CC[C@H]2C[C@@H]1C2(C)C"
],
"rdfs:label": "SMILES",
"provenance": [
{
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],
"prov:wasDerivedFrom": "chebi.basic_property_values.smiles_string"
},
{
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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/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1"
],
"rdfs:label": "InChI",
"provenance": [
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},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"GRWFGVWFFZKLTI-IUCAKERBSA-N"
],
"rdfs:label": "InChIKey",
"provenance": [
{
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