Mitobronitol
| UUID | 4d9a8790-3ddd-11dd-8e76-0050c2490048 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Flow Object ID | fo-3437decbfba3f602 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Source | EF 3.1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Context | Environmental → Air → Ground level → Urban (>1000 people/square mile) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Numbers |
488-41-5
|
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| EC Numbers |
207-676-8
|
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| prefLabel ⓘ |
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| altLabel ⓘ |
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| References |
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| Shared Properties |
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Source List References
| List | Version | Source Flow UUID | Source Flow Name |
|---|---|---|---|
| EF | 3.1 | 4d9a8790-3ddd-11dd-8e76-0050c2490048 |
dibromomannitol |
Concept Associations
| Source List | Source Flow | Source Context | Unit | Match Type | Conversion | Provenance |
|---|---|---|---|---|---|---|
| EF 3.1 | dibromomannitol | Emissions/Emissions to air/Emissions to urban air close to ground | kg | exactMatch |
— |
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=dibromomannitol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=488-41-5; added Common Chemistry CAS names as altLabel: 1,6-Dibromo-1,6-dideoxy-<em>d</em>-mannitol, 1,6-Dibromo-1,6-dideoxy-<span class="text-smallcaps">D</span>-mannitol, 1,6-Dibromo-1,6-dideoxymannitol, 1,6-Dibromo-<span class="text-smallcaps">D</span>-mannitol, 1,6-Dibromomannitol, 1,6-Dideoxy-1,6-dibromo-<span class="text-smallcaps">D</span>-mannitol, <span class="text-smallcaps">D</span>-Dibromomannitol, <span class="text-smallcaps">D</span>-Mannitol, 1,6-dibromo-1,6-dideoxy-, DBM, Dibromomannitol, Mannitol, 1,6-dibromo-1,6-dideoxy-, <span class="text-smallcaps">D</span>-, MeSH ID: D008927, NCI C04762, NSC 94100, NSC 94110, R 54; object_uuid=fo-3437decbfba3f602 |
cas_match_labels |
1 | — |
consensus_match | group_key=dibromomannitol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'488-41-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3437decbfba3f602: {'488-41-5': 'exactMatch'} |
prefLabel |
1 | — |
consensus_match | cas=488-41-5; cc_chebi_agreed_name='Mitobronitol'; object_uuid=fo-3437decbfba3f602 |
Context Attributes
| Attribute | Value |
|---|---|
| dimension | Environmental |
| media | Air |
| strata | Ground level |
| population_density | Urban (>1000 people/square mile) |
Consensus Changes
| Field | Old Value | New Value | Comment |
|---|---|---|---|
prefLabel |
[{'@value': 'Dibromomannitol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] |
[{'@value': 'Mitobronitol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:488-41-5'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] |
cas=488-41-5; cc_chebi_agreed_name='Mitobronitol'; object_uuid=fo-3437decbfba3f602 |
altLabel |
[{'@value': 'Mitobronitol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Mitobronitol', 'http://purl.obolibrary.org/obo/CHEBI_34853', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Myebrol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Myebrol', 'http://purl.obolibrary.org/obo/CHEBI_34853', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'dibromannit', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:dibromannit', 'http://purl.obolibrary.org/obo/CHEBI_34853', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'dibromannitol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:dibromannitol', 'http://purl.obolibrary.org/obo/CHEBI_34853', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'mielobromol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:mielobromol', 'http://purl.obolibrary.org/obo/CHEBI_34853', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'myelobromol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:myelobromol', 'http://purl.obolibrary.org/obo/CHEBI_34853', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] |
[{'@value': 'Myebrol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Myebrol', 'http://purl.obolibrary.org/obo/CHEBI_34853', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'dibromannit', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:dibromannit', 'http://purl.obolibrary.org/obo/CHEBI_34853', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'dibromannitol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:dibromannitol', 'http://purl.obolibrary.org/obo/CHEBI_34853', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'mielobromol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:mielobromol', 'http://purl.obolibrary.org/obo/CHEBI_34853', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'myelobromol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:myelobromol', 'http://purl.obolibrary.org/obo/CHEBI_34853', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Dibromomannitol', '@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=488-41-5; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-3437decbfba3f602 |
altLabel |
[{'@value': 'Myebrol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Myebrol', 'http://purl.obolibrary.org/obo/CHEBI_34853', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'dibromannit', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:dibromannit', 'http://purl.obolibrary.org/obo/CHEBI_34853', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'dibromannitol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:dibromannitol', 'http://purl.obolibrary.org/obo/CHEBI_34853', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'mielobromol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:mielobromol', 'http://purl.obolibrary.org/obo/CHEBI_34853', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'myelobromol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:myelobromol', 'http://purl.obolibrary.org/obo/CHEBI_34853', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Dibromomannitol', '@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': 'Myebrol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Myebrol', 'http://purl.obolibrary.org/obo/CHEBI_34853', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'dibromannit', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:dibromannit', 'http://purl.obolibrary.org/obo/CHEBI_34853', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'dibromannitol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:dibromannitol', 'http://purl.obolibrary.org/obo/CHEBI_34853', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'mielobromol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:mielobromol', 'http://purl.obolibrary.org/obo/CHEBI_34853', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'myelobromol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:myelobromol', 'http://purl.obolibrary.org/obo/CHEBI_34853', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,6-Dibromo-1,6-dideoxy-<em>d</em>-mannitol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:488-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=488-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,6-Dibromo-1,6-dideoxy-<span class="text-smallcaps">D</span>-mannitol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:488-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=488-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,6-Dibromo-1,6-dideoxymannitol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:488-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=488-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,6-Dibromo-<span class="text-smallcaps">D</span>-mannitol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:488-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=488-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,6-Dibromomannitol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:488-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=488-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,6-Dideoxy-1,6-dibromo-<span class="text-smallcaps">D</span>-mannitol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:488-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=488-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<span class="text-smallcaps">D</span>-Dibromomannitol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:488-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=488-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<span class="text-smallcaps">D</span>-Mannitol, 1,6-dibromo-1,6-dideoxy-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:488-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=488-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'DBM', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:488-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=488-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dibromomannitol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:488-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=488-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Mannitol, 1,6-dibromo-1,6-dideoxy-, <span class="text-smallcaps">D</span>-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:488-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=488-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'MeSH ID: D008927', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:488-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=488-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NCI C04762', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:488-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=488-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 94100', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:488-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=488-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 94110', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:488-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=488-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'R 54', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:488-41-5', 'https://commonchemistry.cas.org/detail?cas_rn=488-41-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] |
group_key=dibromomannitol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=488-41-5; added Common Chemistry CAS names as altLabel: 1,6-Dibromo-1,6-dideoxy-<em>d</em>-mannitol, 1,6-Dibromo-1,6-dideoxy-<span class="text-smallcaps">D</span>-mannitol, 1,6-Dibromo-1,6-dideoxymannitol, 1,6-Dibromo-<span class="text-smallcaps">D</span>-mannitol, 1,6-Dibromomannitol, 1,6-Dideoxy-1,6-dibromo-<span class="text-smallcaps">D</span>-mannitol, <span class="text-smallcaps">D</span>-Dibromomannitol, <span class="text-smallcaps">D</span>-Mannitol, 1,6-dibromo-1,6-dideoxy-, DBM, Dibromomannitol, Mannitol, 1,6-dibromo-1,6-dideoxy-, <span class="text-smallcaps">D</span>-, MeSH ID: D008927, NCI C04762, NSC 94100, NSC 94110, R 54; object_uuid=fo-3437decbfba3f602 |
cas_match_labels |
None |
{'488-41-5': 'exactMatch'} |
group_key=dibromomannitol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'488-41-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3437decbfba3f602: {'488-41-5': 'exactMatch'} |
PROV-O Consensus Activity Trail
No PROV-O consensus activities found for this flow.
Full Flow JSON
{
"uuid": "4d9a8790-3ddd-11dd-8e76-0050c2490048",
"name": null,
"cas_numbers": [
"488-41-5"
],
"ec_numbers": [
"207-676-8"
],
"context": {
"dimension": "Environmental",
"media": "Air",
"strata": "Ground level",
"population_density": "Urban (>1000 people/square mile)"
},
"general_comment": null,
"synonyms": [],
"unit": "kg",
"lcia_methods": [],
"source": "EF 3.1",
"identifier": "4d9a8790-3ddd-11dd-8e76-0050c2490048",
"input_datasets": [
"EF 3.1"
],
"source_refs": [
{
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"list_version": "3.1",
"source_flow_uuid": "4d9a8790-3ddd-11dd-8e76-0050c2490048",
"source_flow_name": "dibromomannitol",
"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 air",
"Emissions to urban air close to ground"
]
}
}
],
"prefLabel": [
{
"@value": "Mitobronitol",
"@language": "en",
"source": {
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"prov:hadPrimarySource": [
"CAS:488-41-5"
],
"prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
}
}
],
"_sources": {
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"name": "bootstrap_labels",
"synonyms": "bootstrap_labels",
"context": "default_context_mapping",
"context_iri": "default_context_mapping",
"unit_iri": "unit_normalization",
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"properties": "enrich_references",
"skos:definition": "enrich_references",
"references": "enrich_references",
"altLabel": "consensus_match",
"cas_match_labels": "consensus_match"
},
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C6H12Br2O4"
],
"rdfs:label": "Molecular formula",
"provenance": [
{
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{
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]
},
"https://w3id.org/chemrof/smiles_string": {
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"@value": [
"C(C(C(C(C(CBr)O)O)O)O)Br",
"C([C@H]([C@H]([C@@H]([C@@H](CBr)O)O)O)O)Br",
"O[C@@H]([C@H](O)[C@H](O)CBr)[C@H](O)CBr"
],
"rdfs:label": "SMILES",
"provenance": [
{
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],
"prov:wasDerivedFrom": "chebi.basic_property_values.smiles_string"
},
{
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]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2/t3-,4-,5-,6-/m1/s1"
],
"rdfs:label": "InChI",
"provenance": [
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{
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},
"https://w3id.org/chemrof/inchi2d_key_string": {
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