Methyl 4-nitrobenzoate
Everything that changed this flow. Back to the flow
73ba74d5-11d9-4940-b8f4-4edc3c466419
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 4137' (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=methyl4-nitrobenzoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'619-50-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5086a9c9aa7ded9d: {'619-50-1': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['619-50-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[12083]; selected_pubchem_cids=[12083]; 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 |
|---|---|---|---|---|---|
| 5,752 | bootstrap_labels | prefLabel | — | [{"@value":"methyl 4-nitrobenzoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Bootstrapped prefLabel from legacy name field |
| 5,753 | bootstrap_labels | name | methyl 4-nitrobenzoate | — | Purged legacy name field to enforce prefLabel usage |
| 5,754 | bootstrap_labels | synonyms | ["4-Nitrobenzoic acid methyl ester","AB-131/40897075","AC1L1YT3","AKOS000496631","ARONIS007141","Benzoic acid, 4-nitro-… | [] | Removed legacy synonyms field in favor of structured labels |
| 118,700 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 118,701 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 215,260 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,423 | normalize_name_case | prefLabel | [{"@value":"methyl 4-nitrobenzoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | [{"@value":"Methyl 4-nitrobenzoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,716 | 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) |
| 232,717 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,718 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J42.038G","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['619-50-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[12083]; selected_pubchem_cids=[12083]; 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 |
| 249,910 | 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 'COC(=O)C1=CC=C(C=C1)[N+](=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 268,769 | consensus_match | altLabel | [] | [{"@value":"4-Methoxycarbonylnitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | group_key=methyl4-nitrobenzoate||dimension=Environmental > media=Water > water_body=Unknown; cas=619-50-1; added Common Chemistry CAS names as altLabel: 4-Methoxycarbonylnitrobenzene, 4-Nitrobenzoic acid methyl ester, <em>p</em>-Carbomethoxynitrobenzene, <em>p</em>-Nitrobenzoic acid methyl ester, Benzoic acid, 4-nitro-, methyl ester, Benzoic acid, <em>p</em>-nitro-, methyl ester, Methyl <em>p</em>-nitrobenzoate, NSC 4137; object_uuid=fo-5086a9c9aa7ded9d |
| 268,770 | consensus_match | cas_match_labels | — | {"619-50-1":"exactMatch"} | group_key=methyl4-nitrobenzoate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'619-50-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5086a9c9aa7ded9d: {'619-50-1': 'exactMatch'} |
| 275,046 | opsin_iupac | 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"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Methyl 4-nitrobenzoate' |
| 281,537 | 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 'COC(=O)c1ccc([N+](=O)[O-])cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,426 | strip_catalogue_altlabels | altLabel | [{"@value":"4-Methoxycarbonylnitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | [{"@value":"4-Methoxycarbonylnitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | Removed 1 catalogue altLabel value(s): 'NSC 4137' (registry code) |
| 340,348 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/73ba74d5-11d9-… | associations resolved on the elementary layer |
| 389,354 | 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 |
| 396,463 | 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/20260822T0600486828500000/5752 | prefLabel | ef:agent/bootstrap_labels | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v0 | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v1 |
| ef:activity/change/20260822T0600486828500000/5753 | name | ef:agent/bootstrap_labels | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v1 | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v2 |
| ef:activity/change/20260822T0600486828500000/5754 | synonyms | ef:agent/bootstrap_labels | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v2 | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v3 |
| ef:activity/change/20260822T0600486828500000/118700 | context | ef:agent/default_context_mapping | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v3 | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v4 |
| ef:activity/change/20260822T0600486828500000/118701 | context_iri | ef:agent/default_context_mapping | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v4 | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v5 |
| ef:activity/change/20260822T0600486828500000/215260 | unit_iri | ef:agent/unit_normalization | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v5 | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v6 |
| ef:activity/change/20260822T0600486828500000/222423 | prefLabel | ef:agent/normalize_name_case | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v6 | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v7 |
| ef:activity/change/20260822T0600486828500000/232716 | properties | ef:agent/enrich_references | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v7 | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v8 |
| ef:activity/change/20260822T0600486828500000/232717 | skos_definition | ef:agent/enrich_references | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v8 | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v9 |
| ef:activity/change/20260822T0600486828500000/232718 | references | ef:agent/enrich_references | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v9 | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v10 |
| ef:activity/change/20260822T0600486828500000/249910 | properties | ef:agent/rdkit_pre_consensus | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v10 | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v11 |
| ef:activity/change/20260822T0600486828500000/268769 | altLabel | ef:agent/consensus_match | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v11 | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v12 |
| ef:activity/change/20260822T0600486828500000/268770 | cas_match_labels | ef:agent/consensus_match | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v12 | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v13 |
| ef:activity/change/20260822T0600486828500000/275046 | properties | ef:agent/opsin_iupac | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v13 | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v14 |
| ef:activity/change/20260822T0600486828500000/281537 | properties | ef:agent/rdkit_post_consensus | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v14 | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v15 |
| ef:activity/change/20260822T0600486828500000/288426 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v15 | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v16 |
| ef:activity/change/20260822T0600486828500000/340348 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v16 | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v17 |
| ef:activity/change/20260822T0600486828500000/389354 | properties | ef:agent/normalise_property_values | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v17 | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v18 |
| ef:activity/change/20260822T0600486828500000/396463 | types | ef:agent/link_flows_to_their_substance | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v18 | ef:flow/73ba74d5-11d9-4940-b8f4-4edc3c466419/v19 |