Sodium 3-aminobenzenesulphonate
Everything that changed this flow. Back to the flow
b280dd38-7ce8-42f6-b9d2-9247edf61436
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 |
| 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=sodium3-aminobenzenesulphonate||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1126-34-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-674c0c3057945442: {'1126-34-7': '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 air > Emissions to urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['1126-34-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[23669135, 87986113]; selected_pubchem_cids=[87986113]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 5,217 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 3-aminobenzenesulphonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Bootstrapped prefLabel from legacy name field |
| 5,218 | bootstrap_labels | name | sodium 3-aminobenzenesulphonate | — | Purged legacy name field to enforce prefLabel usage |
| 5,219 | bootstrap_labels | synonyms | ["1-Aminobenzene-3-sulfonic acid","3-AMINOBENZENESULFONIC ACID","3-Amino-benzenesulfonic acid","3-Aminobenzenesulphonic… | [] | Removed legacy synonyms field in favor of structured labels |
| 155,900 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 155,901 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 215,082 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,296 | normalize_name_case | prefLabel | [{"@value":"sodium 3-aminobenzenesulphonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | [{"@value":"Sodium 3-aminobenzenesulphonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,197 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7NNaO3S… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 232,198 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,199 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=1126-34-7","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['1126-34-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[23669135, 87986113]; selected_pubchem_cids=[87986113]; 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 |
| 249,757 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7NNaO3S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7NNaO3S… | rdkit_pre_consensus from 'C1=CC(=CC(=C1)S(=O)(=O)O)N.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,765 | consensus_match | altLabel | [] | [{"@value":"1-Aminobenzene-3-sulfonic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_mat… | group_key=sodium3-aminobenzenesulphonate||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=1126-34-7; added Common Chemistry CAS names as altLabel: 1-Aminobenzene-3-sulfonic acid sodium salt, 3-Aminobenzenesulfonic acid monosodium salt, 3-Aminobenzenesulfonic acid sodium salt, Benzenesulfonic acid, 3-amino-, monosodium salt, Benzenesulfonic acid, 3-amino-, sodium salt (1:1), Metanilic acid sodium salt, Metanilic acid, monosodium salt, Sodium 1-amino-3-benzenesulfonate, Sodium 3-aminobenzenesulfonate, Sodium <em>m</em>-aminobenzenesulfonate, Sodium metanilate; object_uuid=fo-674c0c3057945442 |
| 271,766 | consensus_match | cas_match_labels | — | {"1126-34-7":"exactMatch"} | group_key=sodium3-aminobenzenesulphonate||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1126-34-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-674c0c3057945442: {'1126-34-7': 'exactMatch'} |
| 274,895 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7NNaO3S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7NNaO3S… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium 3-aminobenzenesulphonate' |
| 281,371 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H7NNaO3S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6NNaO3S… | rdkit_post_consensus from 'Nc1cccc(S(=O)(=O)[O-])c1.[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,826 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6NNaO3S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H6NNaO3S… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 292,247 | dedupe_altlabels | altLabel | [{"@value":"1-Aminobenzene-3-sulfonic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_mat… | [{"@value":"1-Aminobenzene-3-sulfonic acid sodium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_mat… | Deduplicated altLabel values and removed entries matching prefLabel |
| 358,974 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b280dd38-7ce8-… | associations resolved on the elementary layer |
| 396,251 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20260821T1554374006150000/5217 | prefLabel | ef:agent/bootstrap_labels | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v0 | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v1 |
| ef:activity/change/20260821T1554374006150000/5218 | name | ef:agent/bootstrap_labels | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v1 | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v2 |
| ef:activity/change/20260821T1554374006150000/5219 | synonyms | ef:agent/bootstrap_labels | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v2 | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v3 |
| ef:activity/change/20260821T1554374006150000/155900 | context | ef:agent/default_context_mapping | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v3 | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v4 |
| ef:activity/change/20260821T1554374006150000/155901 | context_iri | ef:agent/default_context_mapping | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v4 | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v5 |
| ef:activity/change/20260821T1554374006150000/215082 | unit_iri | ef:agent/unit_normalization | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v5 | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v6 |
| ef:activity/change/20260821T1554374006150000/222296 | prefLabel | ef:agent/normalize_name_case | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v6 | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v7 |
| ef:activity/change/20260821T1554374006150000/232197 | properties | ef:agent/enrich_references | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v7 | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v8 |
| ef:activity/change/20260821T1554374006150000/232198 | skos_definition | ef:agent/enrich_references | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v8 | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v9 |
| ef:activity/change/20260821T1554374006150000/232199 | references | ef:agent/enrich_references | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v9 | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v10 |
| ef:activity/change/20260821T1554374006150000/249757 | properties | ef:agent/rdkit_pre_consensus | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v10 | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v11 |
| ef:activity/change/20260821T1554374006150000/271765 | altLabel | ef:agent/consensus_match | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v11 | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v12 |
| ef:activity/change/20260821T1554374006150000/271766 | cas_match_labels | ef:agent/consensus_match | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v12 | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v13 |
| ef:activity/change/20260821T1554374006150000/274895 | properties | ef:agent/opsin_iupac | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v13 | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v14 |
| ef:activity/change/20260821T1554374006150000/281371 | properties | ef:agent/rdkit_post_consensus | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v14 | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v15 |
| ef:activity/change/20260821T1554374006150000/286826 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v15 | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v16 |
| ef:activity/change/20260821T1554374006150000/292247 | altLabel | ef:agent/dedupe_altlabels | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v16 | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v17 |
| ef:activity/change/20260821T1554374006150000/358974 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v17 | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v18 |
| ef:activity/change/20260821T1554374006150000/396251 | types | ef:agent/link_flows_to_their_substance | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v18 | ef:flow/b280dd38-7ce8-42f6-b9d2-9247edf61436/v19 |