Sodium 4-[(4-methyl-3-nitrobenzoyl)amino]benzenesulfonate
Everything that changed this flow. Back to the flow
bfba6bb7-47aa-4590-88ee-a5e10808df07
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=sodium4-[(4-methyl-3-nitrobenzoyl)amino]benzenesulfonate||dimension=Environmental > media=Air > indoor=Unknown; cas=84029-45-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, 4-[(4-methyl-3-nitrobenzoyl)amino]-, monosodium salt, Benzenesulfonic acid, 4-[(4-methyl-3-nitrobenzoyl)amino]-, sodium salt (1:1); object_uuid=fo-ee108dd14ea5b8d9 |
| cas_match_labels | 1 | consensus_match | group_key=sodium4-[(4-methyl-3-nitrobenzoyl)amino]benzenesulfonate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'84029-45-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-ee108dd14ea5b8d9: {'84029-45-8': '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=['84029-45-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[3019588, 102058736, 131885746]; selected_pubchem_cids=[131885746]; 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 |
|---|---|---|---|---|---|
| 4,825 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 4-[(4-methyl-3-nitrobenzoyl)amino]benzenesulfonate","@language":"en","source":{"prov:wasGeneratedBy"… | Bootstrapped prefLabel from legacy name field |
| 4,826 | bootstrap_labels | name | sodium 4-[(4-methyl-3-nitrobenzoyl)amino]benzenesulfonate | — | Purged legacy name field to enforce prefLabel usage |
| 4,827 | bootstrap_labels | synonyms | ["sodium4-(4-methyl-3-nitrobenzoylamino)benzenesulphonate","nitrotolsulfanilsã¤ure,natrium","nitrotolylsulfanilicacidso… | [] | Removed legacy synonyms field in favor of structured labels |
| 163,396 | 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 |
| 163,397 | 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 |
| 214,951 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,205 | normalize_name_case | prefLabel | [{"@value":"sodium 4-[(4-methyl-3-nitrobenzoyl)amino]benzenesulfonate","@language":"en","source":{"prov:wasGeneratedBy"… | [{"@value":"Sodium 4-[(4-methyl-3-nitrobenzoyl)amino]benzenesulfonate","@language":"en","source":{"prov:wasGeneratedBy"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,818 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H12N2Na… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 231,819 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 231,820 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=84029-45-8","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['84029-45-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[3019588, 102058736, 131885746]; selected_pubchem_cids=[131885746]; 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 |
| 249,648 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H12N2Na… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H12N2Na… | rdkit_pre_consensus from 'CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)O)[N+](=O)[O-].[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,797 | consensus_match | altLabel | [] | [{"@value":"Benzenesulfonic acid, 4-[(4-methyl-3-nitrobenzoyl)amino]-, monosodium salt","@language":"en","source":{"pro… | group_key=sodium4-[(4-methyl-3-nitrobenzoyl)amino]benzenesulfonate||dimension=Environmental > media=Air > indoor=Unknown; cas=84029-45-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, 4-[(4-methyl-3-nitrobenzoyl)amino]-, monosodium salt, Benzenesulfonic acid, 4-[(4-methyl-3-nitrobenzoyl)amino]-, sodium salt (1:1); object_uuid=fo-ee108dd14ea5b8d9 |
| 271,798 | consensus_match | cas_match_labels | — | {"84029-45-8":"exactMatch"} | group_key=sodium4-[(4-methyl-3-nitrobenzoyl)amino]benzenesulfonate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'84029-45-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-ee108dd14ea5b8d9: {'84029-45-8': 'exactMatch'} |
| 274,781 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H12N2Na… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H12N2Na… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium 4-[(4-methyl-3-nitrobenzoyl)amino]benzenesulfonate' |
| 281,251 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H12N2Na… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H11N2Na… | rdkit_post_consensus from 'Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[O-])cc2)cc1[N+](=O)[O-].[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,815 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H11N2Na… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C14H11N2Na… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 362,723 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/bfba6bb7-47aa-… | associations resolved on the elementary layer |
| 396,100 | 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/20260821T1302361922970000/4825 | prefLabel | ef:agent/bootstrap_labels | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v0 | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v1 |
| ef:activity/change/20260821T1302361922970000/4826 | name | ef:agent/bootstrap_labels | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v1 | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v2 |
| ef:activity/change/20260821T1302361922970000/4827 | synonyms | ef:agent/bootstrap_labels | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v2 | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v3 |
| ef:activity/change/20260821T1302361922970000/163396 | context | ef:agent/default_context_mapping | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v3 | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v4 |
| ef:activity/change/20260821T1302361922970000/163397 | context_iri | ef:agent/default_context_mapping | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v4 | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v5 |
| ef:activity/change/20260821T1302361922970000/214951 | unit_iri | ef:agent/unit_normalization | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v5 | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v6 |
| ef:activity/change/20260821T1302361922970000/222205 | prefLabel | ef:agent/normalize_name_case | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v6 | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v7 |
| ef:activity/change/20260821T1302361922970000/231818 | properties | ef:agent/enrich_references | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v7 | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v8 |
| ef:activity/change/20260821T1302361922970000/231819 | skos_definition | ef:agent/enrich_references | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v8 | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v9 |
| ef:activity/change/20260821T1302361922970000/231820 | references | ef:agent/enrich_references | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v9 | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v10 |
| ef:activity/change/20260821T1302361922970000/249648 | properties | ef:agent/rdkit_pre_consensus | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v10 | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v11 |
| ef:activity/change/20260821T1302361922970000/271797 | altLabel | ef:agent/consensus_match | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v11 | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v12 |
| ef:activity/change/20260821T1302361922970000/271798 | cas_match_labels | ef:agent/consensus_match | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v12 | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v13 |
| ef:activity/change/20260821T1302361922970000/274781 | properties | ef:agent/opsin_iupac | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v13 | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v14 |
| ef:activity/change/20260821T1302361922970000/281251 | properties | ef:agent/rdkit_post_consensus | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v14 | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v15 |
| ef:activity/change/20260821T1302361922970000/286815 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v15 | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v16 |
| ef:activity/change/20260821T1302361922970000/362723 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v16 | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v17 |
| ef:activity/change/20260821T1302361922970000/396100 | types | ef:agent/link_flows_to_their_substance | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v17 | ef:flow/bfba6bb7-47aa-4590-88ee-a5e10808df07/v18 |