Barium Bis{5-chloro-4-ethyl-2-[(2-hydroxy-1-naphthyl)diazenyl]benzenesulfonate}
Everything that changed this flow. Back to the flow
e7db2fc8-4d16-4c19-b774-4651fc877451
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes 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=bariumbis{5-chloro-4-ethyl-2-[(2-hydroxy-1-naphthyl)diazenyl]benzenesulfonate}||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=67801-01-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, 5-chloro-4-ethyl-2-[(2-hydroxy-1-naphthalenyl)azo]-, barium salt (2:1), Benzenesulfonic acid, 5-chloro-4-ethyl-2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-, barium salt (2:1); object_uuid=fo-848255e99c51af09 |
| cas_match_labels | 1 | consensus_match | group_key=bariumbis{5-chloro-4-ethyl-2-[(2-hydroxy-1-naphthyl)diazenyl]benzenesulfonate}||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory']; cas_sources={'67801-01-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-848255e99c51af09: {'67801-01-8': '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=['67801-01-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[105633, 136784915, 137221725, 145865733]; selected_pubchem_cids=[105633, 137221725]; 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 |
|---|---|---|---|---|---|
| 1,682 | bootstrap_labels | prefLabel | — | [{"@value":"barium bis{5-chloro-4-ethyl-2-[(2-hydroxy-1-naphthyl)diazenyl]benzenesulfonate}","@language":"en","source":… | Bootstrapped prefLabel from legacy name field |
| 1,683 | bootstrap_labels | name | barium bis{5-chloro-4-ethyl-2-[(2-hydroxy-1-naphthyl)diazenyl]benzenesulfonate} | — | Purged legacy name field to enforce prefLabel usage |
| 1,684 | bootstrap_labels | synonyms | ["organic","bariumbis[5-chloro-4-ethyl-2-[(2-hydroxy-1-naphthyl)azo]benzenesulphonate]"] | [] | Removed legacy synonyms field in favor of structured labels |
| 188,601 | 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 |
| 188,602 | 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 |
| 213,902 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,486 | normalize_name_case | prefLabel | [{"@value":"barium bis{5-chloro-4-ethyl-2-[(2-hydroxy-1-naphthyl)diazenyl]benzenesulfonate}","@language":"en","source":… | [{"@value":"Barium Bis{5-chloro-4-ethyl-2-[(2-hydroxy-1-naphthyl)diazenyl]benzenesulfonate}","@language":"en","source":… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,803 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C36H28BaCl… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 228,804 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,805 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.061.002","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['67801-01-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[105633, 136784915, 137221725, 145865733]; selected_pubchem_cids=[105633, 137221725]; 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 |
| 248,792 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C36H28BaCl… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C36H28BaCl… | rdkit_pre_consensus from 'CCC1=CC(=C(C=C1Cl)S(=O)(=O)O)N=NC2=C(C=CC3=CC=CC=C32)O.CCC1=CC(=C(C=C1Cl)S(=O)(=O)O)N=NC2=C(C=CC3=CC=CC=C32)O.[Ba]'; added: molecular_mass, monoisotopic_mass |
| 264,014 | consensus_match | altLabel | [] | [{"@value":"Benzenesulfonic acid, 5-chloro-4-ethyl-2-[(2-hydroxy-1-naphthalenyl)azo]-, barium salt (2:1)","@language":"… | group_key=bariumbis{5-chloro-4-ethyl-2-[(2-hydroxy-1-naphthyl)diazenyl]benzenesulfonate}||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=67801-01-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, 5-chloro-4-ethyl-2-[(2-hydroxy-1-naphthalenyl)azo]-, barium salt (2:1), Benzenesulfonic acid, 5-chloro-4-ethyl-2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-, barium salt (2:1); object_uuid=fo-848255e99c51af09 |
| 264,015 | consensus_match | cas_match_labels | — | {"67801-01-8":"exactMatch"} | group_key=bariumbis{5-chloro-4-ethyl-2-[(2-hydroxy-1-naphthyl)diazenyl]benzenesulfonate}||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory']; cas_sources={'67801-01-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-848255e99c51af09: {'67801-01-8': 'exactMatch'} |
| 273,913 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C36H28BaCl… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C36H28BaCl… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Barium Bis{5-chloro-4-ethyl-2-[(2-hydroxy-1-naphthyl)diazenyl]benzenesulfonate}' |
| 280,309 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C36H28BaCl… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C36H28BaCl… | rdkit_post_consensus from 'CCc1cc(N=Nc2c(O)ccc3ccccc23)c(S(=O)(=O)[O-])cc1Cl.CCc1cc(N=Nc2c(O)ccc3ccccc23)c(S(=O)(=O)[O-])cc1Cl.[Ba+2]'; added: molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula |
| 286,759 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C36H28BaCl… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C36H28BaCl… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 375,360 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e7db2fc8-4d16-… | associations resolved on the elementary layer |
| 394,859 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | 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/20261019T0712047113160000/1682 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v0 | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v1 |
| ef:activity/change/20261019T0712047113160000/1683 | name | ef:agent/bootstrap_labels | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v1 | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v2 |
| ef:activity/change/20261019T0712047113160000/1684 | synonyms | ef:agent/bootstrap_labels | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v2 | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v3 |
| ef:activity/change/20261019T0712047113160000/188601 | context | ef:agent/default_context_mapping | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v3 | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v4 |
| ef:activity/change/20261019T0712047113160000/188602 | context_iri | ef:agent/default_context_mapping | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v4 | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v5 |
| ef:activity/change/20261019T0712047113160000/213902 | unit_iri | ef:agent/unit_normalization | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v5 | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v6 |
| ef:activity/change/20261019T0712047113160000/221486 | prefLabel | ef:agent/normalize_name_case | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v6 | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v7 |
| ef:activity/change/20261019T0712047113160000/228803 | properties | ef:agent/enrich_references | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v7 | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v8 |
| ef:activity/change/20261019T0712047113160000/228804 | skos_definition | ef:agent/enrich_references | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v8 | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v9 |
| ef:activity/change/20261019T0712047113160000/228805 | references | ef:agent/enrich_references | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v9 | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v10 |
| ef:activity/change/20261019T0712047113160000/248792 | properties | ef:agent/rdkit_pre_consensus | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v10 | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v11 |
| ef:activity/change/20261019T0712047113160000/264014 | altLabel | ef:agent/consensus_match | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v11 | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v12 |
| ef:activity/change/20261019T0712047113160000/264015 | cas_match_labels | ef:agent/consensus_match | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v12 | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v13 |
| ef:activity/change/20261019T0712047113160000/273913 | properties | ef:agent/opsin_iupac | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v13 | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v14 |
| ef:activity/change/20261019T0712047113160000/280309 | properties | ef:agent/rdkit_post_consensus | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v14 | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v15 |
| ef:activity/change/20261019T0712047113160000/286759 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v15 | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v16 |
| ef:activity/change/20261019T0712047113160000/375360 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v16 | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v17 |
| ef:activity/change/20261019T0712047113160000/394859 | types | ef:agent/link_flows_to_their_substance | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v17 | ef:flow/e7db2fc8-4d16-4c19-b774-4651fc877451/v18 |