3-bromothiophene
Everything that changed this flow. Back to the flow
ca706b75-c5c0-4352-8d3f-c2ea49d93587
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 |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 96612' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=3-bromothiophene||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'872-31-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-819f3e1cf9d32c5b: {'872-31-1': '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 |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['872-31-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[13383, 53429406]; selected_pubchem_cids=[13383]; 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 |
|---|---|---|---|---|---|
| 15,758 | bootstrap_labels | prefLabel | — | [{"@value":"3-bromothiophene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Bootstrapped prefLabel from legacy name field |
| 15,759 | bootstrap_labels | name | 3-bromothiophene | — | Purged legacy name field to enforce prefLabel usage |
| 15,760 | bootstrap_labels | synonyms | [".beta.-Bromothiophene","3-BROMO THIOPHENE","3-Thienyl bromide","AC-4899","AC1L21M3","AC1Q25CP","B1067","FT-0080728","… | [] | Removed legacy synonyms field in favor of structured labels |
| 169,680 | 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 |
| 169,681 | 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 |
| 218,519 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 242,023 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H3BrS"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 242,024 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 242,025 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J25.465G","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['872-31-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[13383, 53429406]; selected_pubchem_cids=[13383]; 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 |
| 252,597 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H3BrS"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H3BrS"],… | rdkit_pre_consensus from 'C1=CSC=C1Br'; added: molecular_mass, monoisotopic_mass |
| 261,936 | consensus_match | altLabel | [] | [{"@value":"3-Bromothiofuran","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo"… | group_key=3-bromothiophene||dimension=Environmental > media=Water > water_body=Unknown; cas=872-31-1; added Common Chemistry CAS names as altLabel: 3-Bromothiofuran, 3-Thienyl bromide, NSC 96612, Thiophene, 3-bromo-, β-Bromothiophene; object_uuid=fo-819f3e1cf9d32c5b |
| 261,937 | consensus_match | cas_match_labels | — | {"872-31-1":"exactMatch"} | group_key=3-bromothiophene||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'872-31-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-819f3e1cf9d32c5b: {'872-31-1': 'exactMatch'} |
| 277,805 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H3BrS"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H3BrS"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-bromothiophene' |
| 284,506 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H3BrS"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H3BrS"],… | rdkit_post_consensus from 'Brc1ccsc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,466 | strip_catalogue_altlabels | altLabel | [{"@value":"3-Bromothiofuran","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo"… | [{"@value":"3-Bromothiofuran","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo"… | Removed 1 catalogue altLabel value(s): 'NSC 96612' (registry code) |
| 365,866 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ca706b75-c5c0-… | associations resolved on the elementary layer |
| 392,158 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H3BrS"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C4H3BrS"],… | typed the way the ontology types it |
| 400,490 | 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/20260821T1554374006150000/15758 | prefLabel | ef:agent/bootstrap_labels | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v0 | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v1 |
| ef:activity/change/20260821T1554374006150000/15759 | name | ef:agent/bootstrap_labels | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v1 | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v2 |
| ef:activity/change/20260821T1554374006150000/15760 | synonyms | ef:agent/bootstrap_labels | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v2 | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v3 |
| ef:activity/change/20260821T1554374006150000/169680 | context | ef:agent/default_context_mapping | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v3 | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v4 |
| ef:activity/change/20260821T1554374006150000/169681 | context_iri | ef:agent/default_context_mapping | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v4 | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v5 |
| ef:activity/change/20260821T1554374006150000/218519 | unit_iri | ef:agent/unit_normalization | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v5 | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v6 |
| ef:activity/change/20260821T1554374006150000/242023 | properties | ef:agent/enrich_references | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v6 | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v7 |
| ef:activity/change/20260821T1554374006150000/242024 | skos_definition | ef:agent/enrich_references | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v7 | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v8 |
| ef:activity/change/20260821T1554374006150000/242025 | references | ef:agent/enrich_references | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v8 | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v9 |
| ef:activity/change/20260821T1554374006150000/252597 | properties | ef:agent/rdkit_pre_consensus | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v9 | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v10 |
| ef:activity/change/20260821T1554374006150000/261936 | altLabel | ef:agent/consensus_match | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v10 | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v11 |
| ef:activity/change/20260821T1554374006150000/261937 | cas_match_labels | ef:agent/consensus_match | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v11 | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v12 |
| ef:activity/change/20260821T1554374006150000/277805 | properties | ef:agent/opsin_iupac | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v12 | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v13 |
| ef:activity/change/20260821T1554374006150000/284506 | properties | ef:agent/rdkit_post_consensus | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v13 | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v14 |
| ef:activity/change/20260821T1554374006150000/290466 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v14 | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v15 |
| ef:activity/change/20260821T1554374006150000/365866 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v15 | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v16 |
| ef:activity/change/20260821T1554374006150000/392158 | properties | ef:agent/normalise_property_values | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v16 | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v17 |
| ef:activity/change/20260821T1554374006150000/400490 | types | ef:agent/link_flows_to_their_substance | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v17 | ef:flow/ca706b75-c5c0-4352-8d3f-c2ea49d93587/v18 |