Methyl 4-chloro-2-nitrobenzoate
Everything that changed this flow. Back to the flow
92b1831c-f3bb-41b2-8aef-0e2a874d8d65
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 17028' (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-chloro-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'42087-80-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7a617dad6262deaf: {'42087-80-9': '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, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['42087-80-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[39135]; selected_pubchem_cids=[39135]; 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 |
|---|---|---|---|---|---|
| 20,314 | bootstrap_labels | prefLabel | — | [{"@value":"methyl 4-chloro-2-nitrobenzoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Bootstrapped prefLabel from legacy name field |
| 20,315 | bootstrap_labels | name | methyl 4-chloro-2-nitrobenzoate | — | Purged legacy name field to enforce prefLabel usage |
| 20,316 | bootstrap_labels | synonyms | ["4-Chloro-2-nitrobenzoic acid methyl ester","AC1L2147","Benzoic acid, 4-chloro-2-nitro-, methyl ester","ST50319801"] | [] | Removed legacy synonyms field in favor of structured labels |
| 136,864 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 136,865 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 219,920 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,696 | normalize_name_case | prefLabel | [{"@value":"methyl 4-chloro-2-nitrobenzoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | [{"@value":"Methyl 4-chloro-2-nitrobenzoate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 245,958 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6ClNO4"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 245,959 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 245,960 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J208.227F","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['42087-80-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[39135]; selected_pubchem_cids=[39135]; 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 |
| 253,730 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6ClNO4"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6ClNO4"… | rdkit_pre_consensus from 'COC(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 268,757 | consensus_match | altLabel | [] | [{"@value":"2-Nitro-4-chlorobenzoic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_matc… | group_key=methyl4-chloro-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Non-agricultural; cas=42087-80-9; added Common Chemistry CAS names as altLabel: 2-Nitro-4-chlorobenzoic acid methyl ester, 4-Chloro-2-nitrobenzoic acid methyl ester, Benzoic acid, 4-chloro-2-nitro-, methyl ester, Methyl 2-nitro-4-chlorobenzoate, NSC 17028; object_uuid=fo-7a617dad6262deaf |
| 268,758 | consensus_match | cas_match_labels | — | {"42087-80-9":"exactMatch"} | group_key=methyl4-chloro-2-nitrobenzoate||dimension=Environmental > media=Ground > geography=Non-agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'42087-80-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7a617dad6262deaf: {'42087-80-9': 'exactMatch'} |
| 278,940 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6ClNO4"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6ClNO4"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Methyl 4-chloro-2-nitrobenzoate' |
| 285,752 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6ClNO4"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6ClNO4"… | rdkit_post_consensus from 'COC(=O)c1ccc(Cl)cc1[N+](=O)[O-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,301 | strip_catalogue_altlabels | altLabel | [{"@value":"2-Nitro-4-chlorobenzoic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_matc… | [{"@value":"2-Nitro-4-chlorobenzoic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_matc… | Removed 1 catalogue altLabel value(s): 'NSC 17028' (registry code) |
| 349,428 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/92b1831c-f3bb-… | associations resolved on the elementary layer |
| 393,317 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6ClNO4"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6ClNO4"… | typed the way the ontology types it |
| 402,217 | 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/20260822T0600486828500000/20314 | prefLabel | ef:agent/bootstrap_labels | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v0 | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v1 |
| ef:activity/change/20260822T0600486828500000/20315 | name | ef:agent/bootstrap_labels | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v1 | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v2 |
| ef:activity/change/20260822T0600486828500000/20316 | synonyms | ef:agent/bootstrap_labels | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v2 | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v3 |
| ef:activity/change/20260822T0600486828500000/136864 | context | ef:agent/default_context_mapping | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v3 | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v4 |
| ef:activity/change/20260822T0600486828500000/136865 | context_iri | ef:agent/default_context_mapping | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v4 | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v5 |
| ef:activity/change/20260822T0600486828500000/219920 | unit_iri | ef:agent/unit_normalization | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v5 | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v6 |
| ef:activity/change/20260822T0600486828500000/225696 | prefLabel | ef:agent/normalize_name_case | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v6 | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v7 |
| ef:activity/change/20260822T0600486828500000/245958 | properties | ef:agent/enrich_references | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v7 | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v8 |
| ef:activity/change/20260822T0600486828500000/245959 | skos_definition | ef:agent/enrich_references | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v8 | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v9 |
| ef:activity/change/20260822T0600486828500000/245960 | references | ef:agent/enrich_references | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v9 | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v10 |
| ef:activity/change/20260822T0600486828500000/253730 | properties | ef:agent/rdkit_pre_consensus | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v10 | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v11 |
| ef:activity/change/20260822T0600486828500000/268757 | altLabel | ef:agent/consensus_match | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v11 | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v12 |
| ef:activity/change/20260822T0600486828500000/268758 | cas_match_labels | ef:agent/consensus_match | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v12 | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v13 |
| ef:activity/change/20260822T0600486828500000/278940 | properties | ef:agent/opsin_iupac | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v13 | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v14 |
| ef:activity/change/20260822T0600486828500000/285752 | properties | ef:agent/rdkit_post_consensus | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v14 | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v15 |
| ef:activity/change/20260822T0600486828500000/291301 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v15 | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v16 |
| ef:activity/change/20260822T0600486828500000/349428 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v16 | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v17 |
| ef:activity/change/20260822T0600486828500000/393317 | properties | ef:agent/normalise_property_values | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v17 | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v18 |
| ef:activity/change/20260822T0600486828500000/402217 | types | ef:agent/link_flows_to_their_substance | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v18 | ef:flow/92b1831c-f3bb-41b2-8aef-0e2a874d8d65/v19 |