5-fluoro-2-nitrobenzoic Acid Methyl Ester
Everything that changed this flow. Back to the flow
1b08d50b-75a6-441c-9dca-b48833e85344
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 |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=5-fluoro-2-nitrobenzoicacidmethylester||dimension=Environmental > media=Ground > geography=Unknown; cas=393-85-1; added Common Chemistry CAS names as altLabel: 2-Nitro-5-fluorobenzoic acid methyl ester, 3-Methoxycarbonyl-4-nitrofluorobenzene, 5-Fluoro-2-nitro-benzoic acid methyl ester, Benzoic acid, 5-fluoro-2-nitro-, methyl ester, Methyl 3-fluoro-6-nitrobenzoate, Methyl 5-fluoro-2-nitrobenzoate; object_uuid=fo-5acb5c2be03c82cc |
| cas_match_labels | 1 | consensus_match | group_key=5-fluoro-2-nitrobenzoicacidmethylester||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'393-85-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5acb5c2be03c82cc: {'393-85-1': '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 water > Emissions to fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['393-85-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[5152049, 7408456]; selected_pubchem_cids=[5152049]; 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 |
|---|---|---|---|---|---|
| 2,001 | bootstrap_labels | prefLabel | — | [{"@value":"5-fluoro-2-nitrobenzoic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labe… | Bootstrapped prefLabel from legacy name field |
| 2,002 | bootstrap_labels | name | 5-fluoro-2-nitrobenzoic acid methyl ester | — | Purged legacy name field to enforce prefLabel usage |
| 2,003 | bootstrap_labels | synonyms | ["organic","benzoicacid,5-fluoro-2-nitro-,methylester","5-fluoro-2-nitrobenzoicacidmethylester"] | [] | Removed legacy synonyms field in favor of structured labels |
| 54,342 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 54,343 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 214,006 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,555 | normalize_name_case | prefLabel | [{"@value":"5-fluoro-2-nitrobenzoic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labe… | [{"@value":"5-fluoro-2-nitrobenzoic Acid Methyl Ester","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labe… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 229,103 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6FNO4"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 229,104 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 229,105 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.367.655K","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['393-85-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[5152049, 7408456]; selected_pubchem_cids=[5152049]; 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 |
| 248,869 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6FNO4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6FNO4"]… | rdkit_pre_consensus from 'COC(=O)C1=C(C=CC(=C1)F)[N+](=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 263,084 | consensus_match | altLabel | [] | [{"@value":"2-Nitro-5-fluorobenzoic acid methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_matc… | group_key=5-fluoro-2-nitrobenzoicacidmethylester||dimension=Environmental > media=Ground > geography=Unknown; cas=393-85-1; added Common Chemistry CAS names as altLabel: 2-Nitro-5-fluorobenzoic acid methyl ester, 3-Methoxycarbonyl-4-nitrofluorobenzene, 5-Fluoro-2-nitro-benzoic acid methyl ester, Benzoic acid, 5-fluoro-2-nitro-, methyl ester, Methyl 3-fluoro-6-nitrobenzoate, Methyl 5-fluoro-2-nitrobenzoate; object_uuid=fo-5acb5c2be03c82cc |
| 263,085 | consensus_match | cas_match_labels | — | {"393-85-1":"exactMatch"} | group_key=5-fluoro-2-nitrobenzoicacidmethylester||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'393-85-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5acb5c2be03c82cc: {'393-85-1': 'exactMatch'} |
| 273,990 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6FNO4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6FNO4"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '5-fluoro-2-nitrobenzoic Acid Methyl Ester' |
| 280,394 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6FNO4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6FNO4"]… | rdkit_post_consensus from 'COC(=O)c1cc(F)ccc1[N+](=O)[O-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 308,198 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/1b08d50b-75a6-… | associations resolved on the elementary layer |
| 388,283 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6FNO4"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H6FNO4"]… | typed the way the ontology types it |
| 394,948 | 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/20260821T1554374006150000/2001 | prefLabel | ef:agent/bootstrap_labels | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v0 | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v1 |
| ef:activity/change/20260821T1554374006150000/2002 | name | ef:agent/bootstrap_labels | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v1 | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v2 |
| ef:activity/change/20260821T1554374006150000/2003 | synonyms | ef:agent/bootstrap_labels | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v2 | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v3 |
| ef:activity/change/20260821T1554374006150000/54342 | context | ef:agent/default_context_mapping | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v3 | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v4 |
| ef:activity/change/20260821T1554374006150000/54343 | context_iri | ef:agent/default_context_mapping | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v4 | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v5 |
| ef:activity/change/20260821T1554374006150000/214006 | unit_iri | ef:agent/unit_normalization | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v5 | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v6 |
| ef:activity/change/20260821T1554374006150000/221555 | prefLabel | ef:agent/normalize_name_case | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v6 | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v7 |
| ef:activity/change/20260821T1554374006150000/229103 | properties | ef:agent/enrich_references | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v7 | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v8 |
| ef:activity/change/20260821T1554374006150000/229104 | skos_definition | ef:agent/enrich_references | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v8 | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v9 |
| ef:activity/change/20260821T1554374006150000/229105 | references | ef:agent/enrich_references | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v9 | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v10 |
| ef:activity/change/20260821T1554374006150000/248869 | properties | ef:agent/rdkit_pre_consensus | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v10 | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v11 |
| ef:activity/change/20260821T1554374006150000/263084 | altLabel | ef:agent/consensus_match | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v11 | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v12 |
| ef:activity/change/20260821T1554374006150000/263085 | cas_match_labels | ef:agent/consensus_match | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v12 | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v13 |
| ef:activity/change/20260821T1554374006150000/273990 | properties | ef:agent/opsin_iupac | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v13 | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v14 |
| ef:activity/change/20260821T1554374006150000/280394 | properties | ef:agent/rdkit_post_consensus | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v14 | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v15 |
| ef:activity/change/20260821T1554374006150000/308198 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v15 | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v16 |
| ef:activity/change/20260821T1554374006150000/388283 | properties | ef:agent/normalise_property_values | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v16 | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v17 |
| ef:activity/change/20260821T1554374006150000/394948 | types | ef:agent/link_flows_to_their_substance | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v17 | ef:flow/1b08d50b-75a6-441c-9dca-b48833e85344/v18 |