4-methyl-3-nitrobenzoic Acid
Everything that changed this flow. Back to the flow
e7c20e61-10c7-46e3-9b70-3409c6be9212
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, 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 50659' (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-methyl-3-nitrobenzoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'96-98-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c8f5758d10d308a8: {'96-98-0': '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=['96-98-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[7031, 7319, 18370, 81816, 4077996]; selected_pubchem_cids=[7319]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 13,075 | bootstrap_labels | prefLabel | — | [{"@value":"4-methyl-3-nitrobenzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Bootstrapped prefLabel from legacy name field |
| 13,076 | bootstrap_labels | name | 4-methyl-3-nitrobenzoic acid | — | Purged legacy name field to enforce prefLabel usage |
| 13,077 | bootstrap_labels | synonyms | ["organic","3-nitro-p-toluicacid","4-methyl-3-nitrobenzoesã¤ure(nitro-p-ts)"] | [] | Removed legacy synonyms field in favor of structured labels |
| 188,526 | 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 |
| 188,527 | 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 |
| 217,662 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,121 | normalize_name_case | prefLabel | [{"@value":"4-methyl-3-nitrobenzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | [{"@value":"4-methyl-3-nitrobenzoic Acid","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:was… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 239,584 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO4"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 239,585 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,586 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J62.021A","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['96-98-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[7031, 7319, 18370, 81816, 4077996]; selected_pubchem_cids=[7319]; 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 |
| 251,884 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO4"],… | rdkit_pre_consensus from 'CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 262,805 | consensus_match | altLabel | [] | [{"@value":"3-Nitro-4-methylbenzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | group_key=4-methyl-3-nitrobenzoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=96-98-0; added Common Chemistry CAS names as altLabel: 3-Nitro-4-methylbenzoic acid, 3-Nitro-<em>p</em>-toluic acid, <em>p</em>-Toluic acid, 3-nitro-, Benzoic acid, 4-methyl-3-nitro-, NSC 50659; object_uuid=fo-c8f5758d10d308a8 |
| 262,806 | consensus_match | cas_match_labels | — | {"96-98-0":"exactMatch"} | group_key=4-methyl-3-nitrobenzoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'96-98-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c8f5758d10d308a8: {'96-98-0': 'exactMatch'} |
| 283,733 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO4"],… | rdkit_post_consensus from 'CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,939 | strip_catalogue_altlabels | altLabel | [{"@value":"3-Nitro-4-methylbenzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | [{"@value":"3-Nitro-4-methylbenzoic acid","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | Removed 1 catalogue altLabel value(s): 'NSC 50659' (registry code) |
| 375,291 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/e7c20e61-10c7-… | associations resolved on the elementary layer |
| 391,427 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO4"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7NO4"],… | typed the way the ontology types it |
| 399,455 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260821T1554374006150000/13075 | prefLabel | ef:agent/bootstrap_labels | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v0 | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v1 |
| ef:activity/change/20260821T1554374006150000/13076 | name | ef:agent/bootstrap_labels | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v1 | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v2 |
| ef:activity/change/20260821T1554374006150000/13077 | synonyms | ef:agent/bootstrap_labels | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v2 | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v3 |
| ef:activity/change/20260821T1554374006150000/188526 | context | ef:agent/default_context_mapping | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v3 | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v4 |
| ef:activity/change/20260821T1554374006150000/188527 | context_iri | ef:agent/default_context_mapping | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v4 | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v5 |
| ef:activity/change/20260821T1554374006150000/217662 | unit_iri | ef:agent/unit_normalization | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v5 | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v6 |
| ef:activity/change/20260821T1554374006150000/224121 | prefLabel | ef:agent/normalize_name_case | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v6 | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v7 |
| ef:activity/change/20260821T1554374006150000/239584 | properties | ef:agent/enrich_references | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v7 | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v8 |
| ef:activity/change/20260821T1554374006150000/239585 | skos_definition | ef:agent/enrich_references | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v8 | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v9 |
| ef:activity/change/20260821T1554374006150000/239586 | references | ef:agent/enrich_references | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v9 | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v10 |
| ef:activity/change/20260821T1554374006150000/251884 | properties | ef:agent/rdkit_pre_consensus | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v10 | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v11 |
| ef:activity/change/20260821T1554374006150000/262805 | altLabel | ef:agent/consensus_match | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v11 | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v12 |
| ef:activity/change/20260821T1554374006150000/262806 | cas_match_labels | ef:agent/consensus_match | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v12 | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v13 |
| ef:activity/change/20260821T1554374006150000/283733 | properties | ef:agent/rdkit_post_consensus | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v13 | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v14 |
| ef:activity/change/20260821T1554374006150000/289939 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v14 | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v15 |
| ef:activity/change/20260821T1554374006150000/375291 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v15 | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v16 |
| ef:activity/change/20260821T1554374006150000/391427 | properties | ef:agent/normalise_property_values | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v16 | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v17 |
| ef:activity/change/20260821T1554374006150000/399455 | types | ef:agent/link_flows_to_their_substance | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v17 | ef:flow/e7c20e61-10c7-46e3-9b70-3409c6be9212/v18 |