2,3,6-TBA
Everything that changed this flow. Back to the flow
eb61a6c9-e379-4de6-989f-e8102f8a6c42
By field
14 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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'HC 1281' (grade code) |
| cas_match_labels | 1 | consensus_match | group_key=2,3,6-tba||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'50-31-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2d3fd3a88e00ba20: {'50-31-7': '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 soil > Emissions to non-agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 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=['50-31-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_81946']; candidate_pubchem_cids=[5759, 91457]; selected_pubchem_cids=[5759]; 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 |
| roles | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 6,419 | bootstrap_labels | prefLabel | — | [{"@value":"2,3,6-TBA","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"cons… | Bootstrapped prefLabel from legacy name field |
| 6,420 | bootstrap_labels | name | 2,3,6-TBA | — | Purged legacy name field to enforce prefLabel usage |
| 6,421 | bootstrap_labels | synonyms | ["2,3,6-TBA [BSI:ISO]","2,3,6-TBA(the herbicide)","2,3,6-TCB","2,3,6-TCBA","2,3,6-TRICHLOROBENZOIC ACID","2,3,6-Trichlo… | [] | Removed legacy synonyms field in favor of structured labels |
| 190,600 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 190,601 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 215,489 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 233,355 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H3Cl3O2"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 233,356 | enrich_references | skos_definition | — | [{"@value":"A chlorobenzoic acid that is benzoic acid in which the hydrogens at positions 2, 3, and 6 have been replace… | Merged ChEBI/PubChem definitions into skos:definition |
| 233,357 | enrich_references | references | [] | [{"@id":"agr:IND83108191","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"c… | Added references with provenance; cas_numbers=['50-31-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_81946']; candidate_pubchem_cids=[5759, 91457]; selected_pubchem_cids=[5759]; 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 |
| 250,101 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H3Cl3O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H3Cl3O2"… | rdkit_pre_consensus from 'C1=CC(=C(C(=C1Cl)C(=O)O)Cl)Cl'; added: monoisotopic_mass |
| 255,182 | chebi_altlabels | altLabel | [] | [{"@value":"2,3,6-TCBA","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"cons… | Added 2 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 259,753 | consensus_match | altLabel | [{"@value":"2,3,6-TCBA","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"cons… | [{"@value":"2,3,6-TCBA","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"cons… | group_key=2,3,6-tba||dimension=Environmental > media=Water > water_body=Unknown; cas=50-31-7; added Common Chemistry CAS names as altLabel: Benzoic acid, 2,3,6-trichloro-, HC 1281, TCB, TCBA, Trysben; object_uuid=fo-2d3fd3a88e00ba20 |
| 259,754 | consensus_match | cas_match_labels | — | {"50-31-7":"exactMatch"} | group_key=2,3,6-tba||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'50-31-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2d3fd3a88e00ba20: {'50-31-7': 'exactMatch'} |
| 275,252 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H3Cl3O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H3Cl3O2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,3,6-trichlorobenzoic acid' |
| 281,752 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H3Cl3O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H3Cl3O2"… | rdkit_post_consensus from 'O=C(O)c1c(Cl)ccc(Cl)c1Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,584 | strip_catalogue_altlabels | altLabel | [{"@value":"2,3,6-TCBA","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"cons… | [{"@value":"2,3,6-TCBA","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"cons… | Removed 1 catalogue altLabel value(s): 'HC 1281' (grade code) |
| 376,350 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/eb61a6c9-e379-… | associations resolved on the elementary layer |
| 389,556 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H3Cl3O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H3Cl3O2"… | typed the way the ontology types it |
| 396,750 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 396,751 | link_flows_to_their_substance | roles | — | [{"@id":"http://purl.obolibrary.org/obo/CHEBI_33286","rdfs:label":"agrochemical","http://www.w3.org/2004/02/skos/core#d… | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260820T0738569779880000/6419 | prefLabel | ef:agent/bootstrap_labels | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v0 | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v1 |
| ef:activity/change/20260820T0738569779880000/6420 | name | ef:agent/bootstrap_labels | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v1 | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v2 |
| ef:activity/change/20260820T0738569779880000/6421 | synonyms | ef:agent/bootstrap_labels | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v2 | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v3 |
| ef:activity/change/20260820T0738569779880000/190600 | context | ef:agent/default_context_mapping | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v3 | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v4 |
| ef:activity/change/20260820T0738569779880000/190601 | context_iri | ef:agent/default_context_mapping | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v4 | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v5 |
| ef:activity/change/20260820T0738569779880000/215489 | unit_iri | ef:agent/unit_normalization | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v5 | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v6 |
| ef:activity/change/20260820T0738569779880000/233355 | properties | ef:agent/enrich_references | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v6 | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v7 |
| ef:activity/change/20260820T0738569779880000/233356 | skos_definition | ef:agent/enrich_references | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v7 | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v8 |
| ef:activity/change/20260820T0738569779880000/233357 | references | ef:agent/enrich_references | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v8 | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v9 |
| ef:activity/change/20260820T0738569779880000/250101 | properties | ef:agent/rdkit_pre_consensus | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v9 | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v10 |
| ef:activity/change/20260820T0738569779880000/255182 | altLabel | ef:agent/chebi_altlabels | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v10 | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v11 |
| ef:activity/change/20260820T0738569779880000/259753 | altLabel | ef:agent/consensus_match | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v11 | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v12 |
| ef:activity/change/20260820T0738569779880000/259754 | cas_match_labels | ef:agent/consensus_match | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v12 | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v13 |
| ef:activity/change/20260820T0738569779880000/275252 | properties | ef:agent/opsin_iupac | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v13 | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v14 |
| ef:activity/change/20260820T0738569779880000/281752 | properties | ef:agent/rdkit_post_consensus | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v14 | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v15 |
| ef:activity/change/20260820T0738569779880000/288584 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v15 | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v16 |
| ef:activity/change/20260820T0738569779880000/376350 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v16 | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v17 |
| ef:activity/change/20260820T0738569779880000/389556 | properties | ef:agent/normalise_property_values | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v17 | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v18 |
| ef:activity/change/20260820T0738569779880000/396750 | types | ef:agent/link_flows_to_their_substance | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v18 | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v19 |
| ef:activity/change/20260820T0738569779880000/396751 | roles | ef:agent/link_flows_to_their_substance | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v19 | ef:flow/eb61a6c9-e379-4de6-989f-e8102f8a6c42/v20 |