5-amino-2-methylbenzenesulfonic Acid
Everything that changed this flow. Back to the flow
238c8407-6e7b-41fd-a083-8d189f134219
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 2 catalogue altLabel value(s): 'NSC 22958' (registry code), 'NSC 5586' (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=5-amino-2-methylbenzenesulfonicacid||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'118-88-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d4986f40178b68f2: {'118-88-7': '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 water > Emissions to water, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['118-88-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[67054]; selected_pubchem_cids=[67054]; 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 |
|---|---|---|---|---|---|
| 18,743 | bootstrap_labels | prefLabel | — | [{"@value":"5-amino-2-methylbenzenesulfonic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Bootstrapped prefLabel from legacy name field |
| 18,744 | bootstrap_labels | name | 5-amino-2-methylbenzenesulfonic acid | — | Purged legacy name field to enforce prefLabel usage |
| 18,745 | bootstrap_labels | synonyms | ["organic","4-aminotoluene-2-sulphonicacid"] | [] | Removed legacy synonyms field in favor of structured labels |
| 60,248 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 60,249 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 219,458 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,360 | normalize_name_case | prefLabel | [{"@value":"5-amino-2-methylbenzenesulfonic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | [{"@value":"5-amino-2-methylbenzenesulfonic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,662 | 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) |
| 244,663 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,664 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J79.451A","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['118-88-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[67054]; selected_pubchem_cids=[67054]; 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 |
| 253,357 | 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=C(C=C(C=C1)N)S(=O)(=O)O'; added: molecular_mass, monoisotopic_mass |
| 263,036 | consensus_match | altLabel | [] | [{"@value":"1-Amino-4-methylbenzene-3-sulfonic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | group_key=5-amino-2-methylbenzenesulfonicacid||dimension=Environmental > media=Water > water_body=Unknown; cas=118-88-7; added Common Chemistry CAS names as altLabel: 1-Amino-4-methylbenzene-3-sulfonic acid, 2-Methyl-5-amino benzene sulfonic acid, 3-Amino-6-methylbenzenesulfonic acid, 3-Sulfo-4-methylaniline, 4-Amino-2-sulfotoluene, 4-Aminotoluene-2-sulfonic acid, 4-Methyl-3-sulfoaniline, 4-Methylaniline-3-sulfonic acid, 4-Toluidine-3-sulfonic acid, 5-Amino-2-methyl-1-sulfobenzene, 5-Amino-<em>o</em>-toluenesulfonic acid, <em>o</em>-Toluenesulfonic acid, 5-amino-, <em>p</em>-Toluidine-<em>o</em>-sulfonic acid, Benzenesulfonic acid, 5-amino-2-methyl-, NSC 22958, NSC 5586; object_uuid=fo-d4986f40178b68f2 |
| 263,037 | consensus_match | cas_match_labels | — | {"118-88-7":"exactMatch"} | group_key=5-amino-2-methylbenzenesulfonicacid||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'118-88-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d4986f40178b68f2: {'118-88-7': 'exactMatch'} |
| 278,567 | 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 '5-amino-2-methylbenzenesulfonic Acid' |
| 285,340 | 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)cc1S(=O)(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,026 | strip_catalogue_altlabels | altLabel | [{"@value":"1-Amino-4-methylbenzene-3-sulfonic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | [{"@value":"1-Amino-4-methylbenzene-3-sulfonic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match"… | Removed 2 catalogue altLabel value(s): 'NSC 22958' (registry code), 'NSC 5586' (registry code) |
| 311,143 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/238c8407-6e7b-… | associations resolved on the elementary layer |
| 392,934 | 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 |
| 401,642 | 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/20260821T1554374006150000/18743 | prefLabel | ef:agent/bootstrap_labels | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v0 | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v1 |
| ef:activity/change/20260821T1554374006150000/18744 | name | ef:agent/bootstrap_labels | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v1 | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v2 |
| ef:activity/change/20260821T1554374006150000/18745 | synonyms | ef:agent/bootstrap_labels | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v2 | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v3 |
| ef:activity/change/20260821T1554374006150000/60248 | context | ef:agent/default_context_mapping | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v3 | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v4 |
| ef:activity/change/20260821T1554374006150000/60249 | context_iri | ef:agent/default_context_mapping | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v4 | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v5 |
| ef:activity/change/20260821T1554374006150000/219458 | unit_iri | ef:agent/unit_normalization | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v5 | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v6 |
| ef:activity/change/20260821T1554374006150000/225360 | prefLabel | ef:agent/normalize_name_case | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v6 | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v7 |
| ef:activity/change/20260821T1554374006150000/244662 | properties | ef:agent/enrich_references | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v7 | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v8 |
| ef:activity/change/20260821T1554374006150000/244663 | skos_definition | ef:agent/enrich_references | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v8 | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v9 |
| ef:activity/change/20260821T1554374006150000/244664 | references | ef:agent/enrich_references | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v9 | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v10 |
| ef:activity/change/20260821T1554374006150000/253357 | properties | ef:agent/rdkit_pre_consensus | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v10 | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v11 |
| ef:activity/change/20260821T1554374006150000/263036 | altLabel | ef:agent/consensus_match | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v11 | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v12 |
| ef:activity/change/20260821T1554374006150000/263037 | cas_match_labels | ef:agent/consensus_match | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v12 | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v13 |
| ef:activity/change/20260821T1554374006150000/278567 | properties | ef:agent/opsin_iupac | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v13 | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v14 |
| ef:activity/change/20260821T1554374006150000/285340 | properties | ef:agent/rdkit_post_consensus | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v14 | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v15 |
| ef:activity/change/20260821T1554374006150000/291026 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v15 | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v16 |
| ef:activity/change/20260821T1554374006150000/311143 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v16 | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v17 |
| ef:activity/change/20260821T1554374006150000/392934 | properties | ef:agent/normalise_property_values | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v17 | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v18 |
| ef:activity/change/20260821T1554374006150000/401642 | types | ef:agent/link_flows_to_their_substance | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v18 | ef:flow/238c8407-6e7b-41fd-a083-8d189f134219/v19 |