2-methyl-5-nitrobenzenesulfonic Acid
Everything that changed this flow. Back to the flow
4d703c69-2102-4fae-94e6-ba75265fc6e4
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 9580' (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=2-methyl-5-nitrobenzenesulfonicacid||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'121-03-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d7347394ca13e649: {'121-03-9': '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=['121-03-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_67120']; candidate_pubchem_cids=[8458, 82828, 45358874, 70699501]; selected_pubchem_cids=[8458]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 659 | bootstrap_labels | prefLabel | — | [{"@value":"2-methyl-5-nitrobenzenesulfonic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Bootstrapped prefLabel from legacy name field |
| 660 | bootstrap_labels | name | 2-methyl-5-nitrobenzenesulfonic acid | — | Purged legacy name field to enforce prefLabel usage |
| 661 | bootstrap_labels | synonyms | ["organic","4-nitrotoluene-2-sulphonicacid","pntsa"] | [] | Removed legacy synonyms field in favor of structured labels |
| 87,192 | 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 |
| 87,193 | 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 |
| 213,554 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,248 | normalize_name_case | prefLabel | [{"@value":"2-methyl-5-nitrobenzenesulfonic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | [{"@value":"2-methyl-5-nitrobenzenesulfonic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,794 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO5S"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 227,795 | enrich_references | skos_definition | — | [{"@value":"The arenesulfonic acid that is toluene-2-sulfonic acid bearing a nitro substituent at C-4.","@language":"en… | Merged ChEBI/PubChem definitions into skos:definition |
| 227,796 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J10.070F","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['121-03-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_67120']; candidate_pubchem_cids=[8458, 82828, 45358874, 70699501]; selected_pubchem_cids=[8458]; 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 |
| 248,485 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO5S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO5S"]… | rdkit_pre_consensus from 'CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O'; added: monoisotopic_mass |
| 254,461 | chebi_altlabels | altLabel | [] | [{"@value":"2-methyl-5-nitrobenzenesulphonic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","… | Added 11 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 261,107 | consensus_match | altLabel | [{"@value":"2-methyl-5-nitrobenzenesulphonic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","… | [{"@value":"2-methyl-5-nitrobenzenesulphonic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","… | group_key=2-methyl-5-nitrobenzenesulfonicacid||dimension=Environmental > media=Ground > geography=Agricultural; cas=121-03-9; added Common Chemistry CAS names as altLabel: <em>o</em>-Toluenesulfonic acid, 5-nitro-, Benzenesulfonic acid, 2-methyl-5-nitro-, NSC 9580, PNTOS; object_uuid=fo-d7347394ca13e649 |
| 261,108 | consensus_match | cas_match_labels | — | {"121-03-9":"exactMatch"} | group_key=2-methyl-5-nitrobenzenesulfonicacid||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'121-03-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-d7347394ca13e649: {'121-03-9': 'exactMatch'} |
| 273,612 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO5S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO5S"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-methyl-5-nitrobenzenesulfonic Acid' |
| 279,978 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO5S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO5S"]… | rdkit_post_consensus from 'Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,380 | strip_catalogue_altlabels | altLabel | [{"@value":"2-methyl-5-nitrobenzenesulphonic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","… | [{"@value":"2-methyl-5-nitrobenzenesulphonic acid","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","… | Removed 1 catalogue altLabel value(s): 'NSC 9580' (registry code) |
| 324,612 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/4d703c69-2102-… | associations resolved on the elementary layer |
| 387,888 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO5S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H7NO5S"]… | typed the way the ontology types it |
| 394,426 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260821T1302361922970000/659 | prefLabel | ef:agent/bootstrap_labels | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v0 | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v1 |
| ef:activity/change/20260821T1302361922970000/660 | name | ef:agent/bootstrap_labels | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v1 | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v2 |
| ef:activity/change/20260821T1302361922970000/661 | synonyms | ef:agent/bootstrap_labels | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v2 | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v3 |
| ef:activity/change/20260821T1302361922970000/87192 | context | ef:agent/default_context_mapping | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v3 | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v4 |
| ef:activity/change/20260821T1302361922970000/87193 | context_iri | ef:agent/default_context_mapping | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v4 | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v5 |
| ef:activity/change/20260821T1302361922970000/213554 | unit_iri | ef:agent/unit_normalization | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v5 | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v6 |
| ef:activity/change/20260821T1302361922970000/221248 | prefLabel | ef:agent/normalize_name_case | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v6 | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v7 |
| ef:activity/change/20260821T1302361922970000/227794 | properties | ef:agent/enrich_references | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v7 | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v8 |
| ef:activity/change/20260821T1302361922970000/227795 | skos_definition | ef:agent/enrich_references | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v8 | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v9 |
| ef:activity/change/20260821T1302361922970000/227796 | references | ef:agent/enrich_references | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v9 | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v10 |
| ef:activity/change/20260821T1302361922970000/248485 | properties | ef:agent/rdkit_pre_consensus | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v10 | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v11 |
| ef:activity/change/20260821T1302361922970000/254461 | altLabel | ef:agent/chebi_altlabels | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v11 | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v12 |
| ef:activity/change/20260821T1302361922970000/261107 | altLabel | ef:agent/consensus_match | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v12 | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v13 |
| ef:activity/change/20260821T1302361922970000/261108 | cas_match_labels | ef:agent/consensus_match | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v13 | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v14 |
| ef:activity/change/20260821T1302361922970000/273612 | properties | ef:agent/opsin_iupac | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v14 | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v15 |
| ef:activity/change/20260821T1302361922970000/279978 | properties | ef:agent/rdkit_post_consensus | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v15 | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v16 |
| ef:activity/change/20260821T1302361922970000/287380 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v16 | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v17 |
| ef:activity/change/20260821T1302361922970000/324612 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v17 | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v18 |
| ef:activity/change/20260821T1302361922970000/387888 | properties | ef:agent/normalise_property_values | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v18 | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v19 |
| ef:activity/change/20260821T1302361922970000/394426 | types | ef:agent/link_flows_to_their_substance | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v19 | ef:flow/4d703c69-2102-4fae-94e6-ba75265fc6e4/v20 |