Beta-bromo-beta-nitrostyrene
Everything that changed this flow. Back to the flow
08a91e70-3ddc-11dd-9d4d-0050c2490048
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=beta-bromo-beta-nitrostyrene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=7166-19-0; added Common Chemistry CAS names as altLabel: (2-Bromo-2-nitroethenyl)benzene, 1-Bromo-1-nitro-2-phenylethane, 1-Bromo-1-nitro-2-phenylethene, 1-Bromo-1-nitro-2-phenylethylene, Benzene, (2-bromo-2-nitroethenyl)-, Bromonitrostyrene, Giv-gard, Styrene, β-bromo-β-nitro-, β-Bromo-β-nitrostyrene, β-Bromonitrostyrene; object_uuid=fo-8bd36f021f3a57d0 |
| cas_match_labels | 1 | consensus_match | group_key=beta-bromo-beta-nitrostyrene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'7166-19-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8bd36f021f3a57d0: {'7166-19-0': 'exactMatch'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['7166-19-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[23555, 6433494, 6508331, 90476152]; selected_pubchem_cids=[23555]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 8,563 | bootstrap_labels | prefLabel | — | [{"@value":"beta-bromo-beta-nitrostyrene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Bootstrapped prefLabel from legacy name field |
| 8,564 | bootstrap_labels | name | beta-bromo-beta-nitrostyrene | — | Purged legacy name field to enforce prefLabel usage |
| 8,565 | bootstrap_labels | synonyms | ["(2-Bromo-2-nitrovinyl)benzene","AC1O5GBD","Benzene, (2-bromo-2-nitroethenyl)-","Bromonitrostyrene","Giv-cide BNS","Gi… | [] | Removed legacy synonyms field in favor of structured labels |
| 38,684 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 38,685 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 216,189 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,113 | normalize_name_case | prefLabel | [{"@value":"beta-bromo-beta-nitrostyrene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | [{"@value":"Beta-bromo-beta-nitrostyrene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 235,364 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6BrNO2"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 235,365 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 235,366 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.027.742","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['7166-19-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[23555, 6433494, 6508331, 90476152]; selected_pubchem_cids=[23555]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 250,671 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6BrNO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6BrNO2"… | rdkit_pre_consensus from 'C1=CC=C(C=C1)C=C([N+](=O)[O-])Br'; added: molecular_mass, monoisotopic_mass |
| 264,240 | consensus_match | altLabel | [] | [{"@value":"(2-Bromo-2-nitroethenyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:w… | group_key=beta-bromo-beta-nitrostyrene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=7166-19-0; added Common Chemistry CAS names as altLabel: (2-Bromo-2-nitroethenyl)benzene, 1-Bromo-1-nitro-2-phenylethane, 1-Bromo-1-nitro-2-phenylethene, 1-Bromo-1-nitro-2-phenylethylene, Benzene, (2-bromo-2-nitroethenyl)-, Bromonitrostyrene, Giv-gard, Styrene, β-bromo-β-nitro-, β-Bromo-β-nitrostyrene, β-Bromonitrostyrene; object_uuid=fo-8bd36f021f3a57d0 |
| 264,241 | consensus_match | cas_match_labels | — | {"7166-19-0":"exactMatch"} | group_key=beta-bromo-beta-nitrostyrene||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'7166-19-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8bd36f021f3a57d0: {'7166-19-0': 'exactMatch'} |
| 275,836 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6BrNO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6BrNO2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Beta-bromo-beta-nitrostyrene' |
| 282,398 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6BrNO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6BrNO2"… | rdkit_post_consensus from 'O=[N+]([O-])C(Br)=Cc1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 300,367 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/08a91e70-3ddc-… | associations resolved on the elementary layer |
| 390,179 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6BrNO2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6BrNO2"… | typed the way the ontology types it |
| 397,684 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260821T1554374006150000/8563 | prefLabel | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v0 | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v1 |
| ef:activity/change/20260821T1554374006150000/8564 | name | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v1 | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v2 |
| ef:activity/change/20260821T1554374006150000/8565 | synonyms | ef:agent/bootstrap_labels | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v2 | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v3 |
| ef:activity/change/20260821T1554374006150000/38684 | context | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v3 | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v4 |
| ef:activity/change/20260821T1554374006150000/38685 | context_iri | ef:agent/default_context_mapping | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v4 | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v5 |
| ef:activity/change/20260821T1554374006150000/216189 | unit_iri | ef:agent/unit_normalization | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v5 | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v6 |
| ef:activity/change/20260821T1554374006150000/223113 | prefLabel | ef:agent/normalize_name_case | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v6 | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v7 |
| ef:activity/change/20260821T1554374006150000/235364 | properties | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v7 | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v8 |
| ef:activity/change/20260821T1554374006150000/235365 | skos_definition | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v8 | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v9 |
| ef:activity/change/20260821T1554374006150000/235366 | references | ef:agent/enrich_references | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v9 | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v10 |
| ef:activity/change/20260821T1554374006150000/250671 | properties | ef:agent/rdkit_pre_consensus | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v10 | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v11 |
| ef:activity/change/20260821T1554374006150000/264240 | altLabel | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v11 | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v12 |
| ef:activity/change/20260821T1554374006150000/264241 | cas_match_labels | ef:agent/consensus_match | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v12 | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v13 |
| ef:activity/change/20260821T1554374006150000/275836 | properties | ef:agent/opsin_iupac | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v13 | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v14 |
| ef:activity/change/20260821T1554374006150000/282398 | properties | ef:agent/rdkit_post_consensus | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v14 | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v15 |
| ef:activity/change/20260821T1554374006150000/300367 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v15 | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v16 |
| ef:activity/change/20260821T1554374006150000/390179 | properties | ef:agent/normalise_property_values | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v16 | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v17 |
| ef:activity/change/20260821T1554374006150000/397684 | types | ef:agent/link_flows_to_their_substance | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v17 | ef:flow/08a91e70-3ddc-11dd-9d4d-0050c2490048/v18 |