Trisodium [3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1h Pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonato(3-)][2hydroxy-3-[(2-hydroxy-1-naphthyl)azo]-5-nitrobenzenesulphonato(3-)]chromate(3-)
Everything that changed this flow. Back to the flow
a7a3d41d-cc72-45a2-b824-21c6defac46e
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, 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 |
| altLabel | 2 | consensus_match, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=trisodium[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1hpyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonato(3-)][2hydroxy-3-[(2-hydroxy-1-naphthyl)azo]-5-nitrobenzenesulphonato(3-)]chromate(3-)||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory']; cas_sources={'69943-66-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-64f8d1466c55767f: {'69943-66-4': '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 air > Emissions to air, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['69943-66-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[14549837, 90659615]; selected_pubchem_cids=[14549837, 90659615]; 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 |
|---|---|---|---|---|---|
| 1,753 | bootstrap_labels | prefLabel | — | [{"@value":"trisodium [3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1h pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonato(… | Bootstrapped prefLabel from legacy name field |
| 1,754 | bootstrap_labels | name | trisodium [3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1h pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonato(3-)][2hydrox… | — | Purged legacy name field to enforce prefLabel usage |
| 1,755 | bootstrap_labels | synonyms | ["organic","trisodium[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1h-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonato(3… | [] | Removed legacy synonyms field in favor of structured labels |
| 149,490 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 149,491 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 213,923 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,500 | normalize_name_case | prefLabel | [{"@value":"trisodium [3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1h pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonato(… | [{"@value":"Trisodium [3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1h Pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonato(… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,867 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H18CrN8… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=2) |
| 228,868 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,869 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.067.460","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['69943-66-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[14549837, 90659615]; selected_pubchem_cids=[14549837, 90659615]; 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 |
| 248,802 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H18CrN8… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H18CrN8… | rdkit_pre_consensus from 'CC1=NN(C(=C1N=NC2=C(C(=CC(=C2)[N+](=O)[O-])S(=O)(=O)[O-])[O-])[O-])C3=CC=CC=C3.C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C(=CC(=C3)[N+](=O)[O-])S(=O)(=O)[O-])[O-])[O-].[Na+].[Na+].[Na+].[Cr+3]'; added: molecular_mass, monoisotopic_mass |
| 273,117 | consensus_match | altLabel | [] | [{"@value":"Benzenesulfonic acid, 2-hydroxy-3-[(2-hydroxy-1-naphthalenyl)azo]-5-nitro-, chromium complex","@language":"… | group_key=trisodium[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1hpyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonato(3-)][2hydroxy-3-[(2-hydroxy-1-naphthyl)azo]-5-nitrobenzenesulphonato(3-)]chromate(3-)||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=69943-66-4; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, 2-hydroxy-3-[(2-hydroxy-1-naphthalenyl)azo]-5-nitro-, chromium complex, Benzenesulfonic acid, 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1<em>H</em>-pyrazol-4-yl)azo]-2-hydroxy-5-nitro-, chromium complex, Chromate(3-), [3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1<em>H</em>-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulfonato(3-)][2-hydroxy-3-[(2-hydroxy-1-naphthalenyl)azo]-5-nitrobenzenesulfonato(3-)]-, trisodium, Chromate(3-), [3-[2-[4,5-dihydro-3-methyl-5-(oxo-κ<em>O</em>)-1-phenyl-1<em>H</em>-pyrazol-4-yl]diazenyl-κ<em>N</em><sup>1</sup>]-2-(hydroxy-κ<em>O</em>)-5-nitrobenzenesulfonato(3-)][2-(hydroxy-κ<em>O</em>)-3-[2-[2-(hydroxy-κ<em>O</em>)-1-naphthalenyl]diazenyl-κ<em>N</em><sup>1</sup>]-5-nitrobenzenesulfonato(3-)]-, sodium (1:3), Chromate(3-), [3-[[4,5-dihydro-3-methyl-5-(oxo-κ<em>O</em>)-1-phenyl-1<em>H</em>-pyrazol-4-yl]azo-κ<em>N</em><sup>1</sup>]-2-(hydroxy-κ<em>O</em>)-5-nitrobenzenesulfonato(3-)][2-(hydroxy-κ<em>O</em>)-3-[[2-(hydroxy-κ<em>O</em>)-1-naphthalenyl]azo-κ<em>N</em><sup>1</sup>]-5-nitrobenzenesulfonato(3-)]-, trisodium; object_uuid=fo-64f8d1466c55767f |
| 273,118 | consensus_match | cas_match_labels | — | {"69943-66-4":"exactMatch"} | group_key=trisodium[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1hpyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonato(3-)][2hydroxy-3-[(2-hydroxy-1-naphthyl)azo]-5-nitrobenzenesulphonato(3-)]chromate(3-)||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory']; cas_sources={'69943-66-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-64f8d1466c55767f: {'69943-66-4': 'exactMatch'} |
| 280,316 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H18CrN8… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H18CrN8… | rdkit_post_consensus from 'CC1=NN(C(=C1N=NC2=C(C(=CC(=C2)[N+](=O)[O-])S(=O)(=O)[O-])[O-])[O-])C3=CC=CC=C3.C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C(=CC(=C3)[N+](=O)[O-])S(=O)(=O)[O-])[O-])[O-].[Na+].[Na+].[Na+].[Cr+3]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,739 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H18CrN8… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C32H18CrN8… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 292,044 | dedupe_altlabels | altLabel | [{"@value":"Benzenesulfonic acid, 2-hydroxy-3-[(2-hydroxy-1-naphthalenyl)azo]-5-nitro-, chromium complex","@language":"… | [{"@value":"Benzenesulfonic acid, 2-hydroxy-3-[(2-hydroxy-1-naphthalenyl)azo]-5-nitro-, chromium complex","@language":"… | Deduplicated altLabel values and removed entries matching prefLabel |
| 355,760 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a7a3d41d-cc72-… | associations resolved on the elementary layer |
| 394,845 | 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/20260820T1812399309960000/1753 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v0 | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v1 |
| ef:activity/change/20260820T1812399309960000/1754 | name | ef:agent/bootstrap_labels | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v1 | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v2 |
| ef:activity/change/20260820T1812399309960000/1755 | synonyms | ef:agent/bootstrap_labels | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v2 | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v3 |
| ef:activity/change/20260820T1812399309960000/149490 | context | ef:agent/default_context_mapping | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v3 | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v4 |
| ef:activity/change/20260820T1812399309960000/149491 | context_iri | ef:agent/default_context_mapping | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v4 | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v5 |
| ef:activity/change/20260820T1812399309960000/213923 | unit_iri | ef:agent/unit_normalization | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v5 | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v6 |
| ef:activity/change/20260820T1812399309960000/221500 | prefLabel | ef:agent/normalize_name_case | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v6 | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v7 |
| ef:activity/change/20260820T1812399309960000/228867 | properties | ef:agent/enrich_references | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v7 | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v8 |
| ef:activity/change/20260820T1812399309960000/228868 | skos_definition | ef:agent/enrich_references | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v8 | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v9 |
| ef:activity/change/20260820T1812399309960000/228869 | references | ef:agent/enrich_references | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v9 | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v10 |
| ef:activity/change/20260820T1812399309960000/248802 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v10 | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v11 |
| ef:activity/change/20260820T1812399309960000/273117 | altLabel | ef:agent/consensus_match | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v11 | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v12 |
| ef:activity/change/20260820T1812399309960000/273118 | cas_match_labels | ef:agent/consensus_match | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v12 | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v13 |
| ef:activity/change/20260820T1812399309960000/280316 | properties | ef:agent/rdkit_post_consensus | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v13 | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v14 |
| ef:activity/change/20260820T1812399309960000/286739 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v14 | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v15 |
| ef:activity/change/20260820T1812399309960000/292044 | altLabel | ef:agent/dedupe_altlabels | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v15 | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v16 |
| ef:activity/change/20260820T1812399309960000/355760 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v16 | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v17 |
| ef:activity/change/20260820T1812399309960000/394845 | types | ef:agent/link_flows_to_their_substance | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v17 | ef:flow/a7a3d41d-cc72-45a2-b824-21c6defac46e/v18 |