4-(methylsulfonyl)-2-nitrobenzoic Acid
Everything that changed this flow. Back to the flow
0797df82-6fba-415c-8319-76ba526f51d3
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, 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=4-(methylsulfonyl)-2-nitrobenzoicacid||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'110964-79-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-729fd0c86dd5f8f5: {'110964-79-9': '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 water > Emissions to sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['110964-79-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[96750, 184292, 190490]; selected_pubchem_cids=[184292]; 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 |
|---|---|---|---|---|---|
| 6,065 | bootstrap_labels | prefLabel | — | [{"@value":"4-(methylsulfonyl)-2-nitrobenzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | Bootstrapped prefLabel from legacy name field |
| 6,066 | bootstrap_labels | name | 4-(methylsulfonyl)-2-nitrobenzoic acid | — | Purged legacy name field to enforce prefLabel usage |
| 6,067 | bootstrap_labels | synonyms | ["organic","benzoicacid,4-(methylsulfonyl)-2-nitro-","2-nitro-4(methanesulfonyl)benzoicacid","meso-acid","nitro-mesulba… | [] | Removed legacy synonyms field in favor of structured labels |
| 31,254 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 31,255 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 215,366 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,496 | normalize_name_case | prefLabel | [{"@value":"4-(methylsulfonyl)-2-nitrobenzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | [{"@value":"4-(methylsulfonyl)-2-nitrobenzoic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 233,011 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO6S"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 233,012 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 233,013 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J416.787B","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['110964-79-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[96750, 184292, 190490]; selected_pubchem_cids=[184292]; 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 |
| 249,998 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO6S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO6S"]… | rdkit_pre_consensus from 'CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 262,490 | consensus_match | altLabel | [] | [{"@value":"2-Nitro-4-(methylsulfonyl)benzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | group_key=4-(methylsulfonyl)-2-nitrobenzoicacid||dimension=Environmental > media=Water > water_body=Ocean; cas=110964-79-9; added Common Chemistry CAS names as altLabel: 2-Nitro-4-(methylsulfonyl)benzoic acid, 2-Nitro-<em>p</em>-methylsulfonyl benzoic acid, 4-Mesyl-2-nitrobenzoic acid, Benzoic acid, 4-(methylsulfonyl)-2-nitro-; object_uuid=fo-729fd0c86dd5f8f5 |
| 262,491 | consensus_match | cas_match_labels | — | {"110964-79-9":"exactMatch"} | group_key=4-(methylsulfonyl)-2-nitrobenzoicacid||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['pubchem']; cas_sources={'110964-79-9': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-729fd0c86dd5f8f5: {'110964-79-9': 'exactMatch'} |
| 275,132 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO6S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO6S"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '4-(methylsulfonyl)-2-nitrobenzoic Acid' |
| 281,629 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO6S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO6S"]… | rdkit_post_consensus from 'CS(=O)(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,302 | dedupe_altlabels | altLabel | [{"@value":"2-Nitro-4-(methylsulfonyl)benzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | [{"@value":"2-Nitro-4-(methylsulfonyl)benzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match",… | Deduplicated altLabel values and removed entries matching prefLabel |
| 296,666 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0797df82-6fba-… | associations resolved on the elementary layer |
| 389,438 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO6S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO6S"]… | typed the way the ontology types it |
| 396,593 | 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/20260821T1554374006150000/6065 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v0 | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v1 |
| ef:activity/change/20260821T1554374006150000/6066 | name | ef:agent/bootstrap_labels | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v1 | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v2 |
| ef:activity/change/20260821T1554374006150000/6067 | synonyms | ef:agent/bootstrap_labels | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v2 | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v3 |
| ef:activity/change/20260821T1554374006150000/31254 | context | ef:agent/default_context_mapping | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v3 | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v4 |
| ef:activity/change/20260821T1554374006150000/31255 | context_iri | ef:agent/default_context_mapping | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v4 | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v5 |
| ef:activity/change/20260821T1554374006150000/215366 | unit_iri | ef:agent/unit_normalization | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v5 | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v6 |
| ef:activity/change/20260821T1554374006150000/222496 | prefLabel | ef:agent/normalize_name_case | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v6 | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v7 |
| ef:activity/change/20260821T1554374006150000/233011 | properties | ef:agent/enrich_references | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v7 | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v8 |
| ef:activity/change/20260821T1554374006150000/233012 | skos_definition | ef:agent/enrich_references | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v8 | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v9 |
| ef:activity/change/20260821T1554374006150000/233013 | references | ef:agent/enrich_references | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v9 | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v10 |
| ef:activity/change/20260821T1554374006150000/249998 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v10 | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v11 |
| ef:activity/change/20260821T1554374006150000/262490 | altLabel | ef:agent/consensus_match | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v11 | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v12 |
| ef:activity/change/20260821T1554374006150000/262491 | cas_match_labels | ef:agent/consensus_match | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v12 | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v13 |
| ef:activity/change/20260821T1554374006150000/275132 | properties | ef:agent/opsin_iupac | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v13 | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v14 |
| ef:activity/change/20260821T1554374006150000/281629 | properties | ef:agent/rdkit_post_consensus | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v14 | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v15 |
| ef:activity/change/20260821T1554374006150000/292302 | altLabel | ef:agent/dedupe_altlabels | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v15 | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v16 |
| ef:activity/change/20260821T1554374006150000/296666 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v16 | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v17 |
| ef:activity/change/20260821T1554374006150000/389438 | properties | ef:agent/normalise_property_values | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v17 | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v18 |
| ef:activity/change/20260821T1554374006150000/396593 | types | ef:agent/link_flows_to_their_substance | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v18 | ef:flow/0797df82-6fba-415c-8319-76ba526f51d3/v19 |