4-aminotoluene-3-sulphonic Acid
Everything that changed this flow. Back to the flow
5b698060-9525-4dc5-b6e8-91588ab94bc6
By field
13 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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 7544' (registry code) |
| 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=4-aminotoluene-3-sulphonicacid||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'88-44-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-41a1f0e6ad5adc6d: {'88-44-8': '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 air > Emissions to air, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['88-44-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[6934, 7384, 134175, 7058136]; selected_pubchem_cids=[6934]; 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 |
|---|---|---|---|---|---|
| 1,542 | bootstrap_labels | prefLabel | — | [{"@value":"4-aminotoluene-3-sulphonic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Bootstrapped prefLabel from legacy name field |
| 1,543 | bootstrap_labels | name | 4-aminotoluene-3-sulphonic acid | — | Purged legacy name field to enforce prefLabel usage |
| 23,203 | bootstrap_labels | synonyms | ["4-aminotoluene-3-sulphonicacid","2-amino-5-methylbenzenesulfonicacid","2-amino-5-methylbenzolsulfonsã¤ure","4-aminoto… | [] | Removed legacy synonyms field in favor of structured labels |
| 104,056 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 104,057 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 213,850 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,443 | normalize_name_case | prefLabel | [{"@value":"4-aminotoluene-3-sulphonic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | [{"@value":"4-aminotoluene-3-sulphonic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,661 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H9NO3S"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 228,662 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,663 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.671G","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['88-44-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[6934, 7384, 134175, 7058136]; selected_pubchem_cids=[6934]; 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 |
| 248,742 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H9NO3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H9NO3S"]… | rdkit_pre_consensus from 'CC1=CC(=C(C=C1)N)S(=O)(=O)O'; added: molecular_mass, monoisotopic_mass |
| 262,586 | consensus_match | altLabel | [] | [{"@value":"1-Amino-4-methylbenzene-2-sulfonic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | group_key=4-aminotoluene-3-sulphonicacid||dimension=Environmental > media=Water > water_body=Long-term; cas=88-44-8; added Common Chemistry CAS names as altLabel: 1-Amino-4-methylbenzene-2-sulfonic acid, 2-Amino-5-methyl-1-benzenesulfonic acid, 2-Amino-5-methylbenzenesulfonic acid, 4-Amino-1-methylbenzene-3-sulfonic acid, 4-Aminotoluene-3-sulfonic acid, 4-Methyl-2-sulfoaniline, 4-Methylaniline-2-sulfonic acid, 4B Acid, 6-Amino-<em>m</em>-toluenesulfonic acid, <em>m</em>-Toluenesulfonic acid, 6-amino-, <em>p</em>-Toluidine-2-sulfonic acid, <em>p</em>-Toluidine-<em>m</em>-sulfonic acid, Benzenesulfonic acid, 2-amino-5-methyl-, NSC 7544, PTMS, PTMSA; object_uuid=fo-41a1f0e6ad5adc6d |
| 262,587 | consensus_match | cas_match_labels | — | {"88-44-8":"exactMatch"} | group_key=4-aminotoluene-3-sulphonicacid||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'88-44-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-41a1f0e6ad5adc6d: {'88-44-8': 'exactMatch'} |
| 273,863 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H9NO3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H9NO3S"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4-aminotoluene-3-sulphonic Acid' |
| 280,252 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H9NO3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H9NO3S"]… | rdkit_post_consensus from 'Cc1ccc(N)c(S(=O)(=O)O)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,555 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Amino-4-methylbenzene-2-sulfonic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | [{"@value":"1-Amino-4-methylbenzene-2-sulfonic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | Removed 1 catalogue altLabel value(s): 'NSC 7544' (registry code) |
| 333,018 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5b698060-9525-… | associations resolved on the elementary layer |
| 388,146 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H9NO3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H9NO3S"]… | typed the way the ontology types it |
| 394,760 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260820T1812399309960000/1542 | prefLabel | ef:agent/bootstrap_labels | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v0 | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v1 |
| ef:activity/change/20260820T1812399309960000/1543 | name | ef:agent/bootstrap_labels | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v1 | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v2 |
| ef:activity/change/20260820T1812399309960000/23203 | synonyms | ef:agent/bootstrap_labels | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v2 | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v3 |
| ef:activity/change/20260820T1812399309960000/104056 | context | ef:agent/default_context_mapping | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v3 | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v4 |
| ef:activity/change/20260820T1812399309960000/104057 | context_iri | ef:agent/default_context_mapping | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v4 | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v5 |
| ef:activity/change/20260820T1812399309960000/213850 | unit_iri | ef:agent/unit_normalization | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v5 | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v6 |
| ef:activity/change/20260820T1812399309960000/221443 | prefLabel | ef:agent/normalize_name_case | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v6 | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v7 |
| ef:activity/change/20260820T1812399309960000/228661 | properties | ef:agent/enrich_references | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v7 | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v8 |
| ef:activity/change/20260820T1812399309960000/228662 | skos_definition | ef:agent/enrich_references | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v8 | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v9 |
| ef:activity/change/20260820T1812399309960000/228663 | references | ef:agent/enrich_references | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v9 | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v10 |
| ef:activity/change/20260820T1812399309960000/248742 | properties | ef:agent/rdkit_pre_consensus | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v10 | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v11 |
| ef:activity/change/20260820T1812399309960000/262586 | altLabel | ef:agent/consensus_match | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v11 | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v12 |
| ef:activity/change/20260820T1812399309960000/262587 | cas_match_labels | ef:agent/consensus_match | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v12 | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v13 |
| ef:activity/change/20260820T1812399309960000/273863 | properties | ef:agent/opsin_iupac | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v13 | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v14 |
| ef:activity/change/20260820T1812399309960000/280252 | properties | ef:agent/rdkit_post_consensus | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v14 | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v15 |
| ef:activity/change/20260820T1812399309960000/287555 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v15 | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v16 |
| ef:activity/change/20260820T1812399309960000/333018 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v16 | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v17 |
| ef:activity/change/20260820T1812399309960000/388146 | properties | ef:agent/normalise_property_values | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v17 | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v18 |
| ef:activity/change/20260820T1812399309960000/394760 | types | ef:agent/link_flows_to_their_substance | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v18 | ef:flow/5b698060-9525-4dc5-b6e8-91588ab94bc6/v19 |