1-ethyl-4-nitrobenzene
Everything that changed this flow. Back to the flow
9f28ac4b-8101-4ea8-b59a-620fa2a6e055
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 858' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=1-ethyl-4-nitrobenzene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'100-12-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3157eb97504a5e30: {'100-12-9': '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, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['100-12-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[7457, 7480, 78471, 80208, 2777787, 11008438]; selected_pubchem_cids=[7480]; 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 |
|---|---|---|---|---|---|
| 14,454 | bootstrap_labels | prefLabel | — | [{"@value":"1-ethyl-4-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Bootstrapped prefLabel from legacy name field |
| 14,455 | bootstrap_labels | name | 1-ethyl-4-nitrobenzene | — | Purged legacy name field to enforce prefLabel usage |
| 24,522 | bootstrap_labels | synonyms | ["1-ethyl-4-nitrobenzene","4-ETHYLNITROBENZENE","AC1L1OUV","AKOS000120517","Benzene, 1-ethyl-4-nitro-","E0154","SBB0606… | [] | Removed legacy synonyms field in favor of structured labels |
| 144,408 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 144,409 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 218,110 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 240,865 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9NO2"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 240,866 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 240,867 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J47.815F","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['100-12-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[7457, 7480, 78471, 80208, 2777787, 11008438]; selected_pubchem_cids=[7480]; 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 |
| 252,258 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9NO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9NO2"],… | rdkit_pre_consensus from 'CCC1=CC=C(C=C1)[N+](=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 259,143 | consensus_match | altLabel | [] | [{"@value":"4-Ethyl-1-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribu… | group_key=1-ethyl-4-nitrobenzene||dimension=Environmental > media=Ground > geography=Agricultural; cas=100-12-9; added Common Chemistry CAS names as altLabel: 4-Ethyl-1-nitrobenzene, 4-Ethylnitrobenzene, 4-Nitro-1-ethylbenzene, <em>p</em>-Ethylnitrobenzene, <em>p</em>-Nitroethylbenzene, <em>p</em>-Nitrophenylethane, Benzene, 1-ethyl-4-nitro-, NSC 858; object_uuid=fo-3157eb97504a5e30 |
| 259,144 | consensus_match | cas_match_labels | — | {"100-12-9":"exactMatch"} | group_key=1-ethyl-4-nitrobenzene||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'100-12-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3157eb97504a5e30: {'100-12-9': 'exactMatch'} |
| 277,450 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9NO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9NO2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1-ethyl-4-nitrobenzene' |
| 284,133 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9NO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9NO2"],… | rdkit_post_consensus from 'CCc1ccc([N+](=O)[O-])cc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,209 | strip_catalogue_altlabels | altLabel | [{"@value":"4-Ethyl-1-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribu… | [{"@value":"4-Ethyl-1-nitrobenzene","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribu… | Removed 1 catalogue altLabel value(s): 'NSC 858' (registry code) |
| 353,199 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9f28ac4b-8101-… | associations resolved on the elementary layer |
| 391,797 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9NO2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H9NO2"],… | typed the way the ontology types it |
| 399,991 | 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/20260820T1812399309960000/14454 | prefLabel | ef:agent/bootstrap_labels | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v0 | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v1 |
| ef:activity/change/20260820T1812399309960000/14455 | name | ef:agent/bootstrap_labels | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v1 | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v2 |
| ef:activity/change/20260820T1812399309960000/24522 | synonyms | ef:agent/bootstrap_labels | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v2 | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v3 |
| ef:activity/change/20260820T1812399309960000/144408 | context | ef:agent/default_context_mapping | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v3 | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v4 |
| ef:activity/change/20260820T1812399309960000/144409 | context_iri | ef:agent/default_context_mapping | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v4 | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v5 |
| ef:activity/change/20260820T1812399309960000/218110 | unit_iri | ef:agent/unit_normalization | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v5 | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v6 |
| ef:activity/change/20260820T1812399309960000/240865 | properties | ef:agent/enrich_references | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v6 | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v7 |
| ef:activity/change/20260820T1812399309960000/240866 | skos_definition | ef:agent/enrich_references | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v7 | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v8 |
| ef:activity/change/20260820T1812399309960000/240867 | references | ef:agent/enrich_references | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v8 | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v9 |
| ef:activity/change/20260820T1812399309960000/252258 | properties | ef:agent/rdkit_pre_consensus | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v9 | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v10 |
| ef:activity/change/20260820T1812399309960000/259143 | altLabel | ef:agent/consensus_match | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v10 | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v11 |
| ef:activity/change/20260820T1812399309960000/259144 | cas_match_labels | ef:agent/consensus_match | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v11 | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v12 |
| ef:activity/change/20260820T1812399309960000/277450 | properties | ef:agent/opsin_iupac | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v12 | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v13 |
| ef:activity/change/20260820T1812399309960000/284133 | properties | ef:agent/rdkit_post_consensus | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v13 | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v14 |
| ef:activity/change/20260820T1812399309960000/290209 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v14 | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v15 |
| ef:activity/change/20260820T1812399309960000/353199 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v15 | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v16 |
| ef:activity/change/20260820T1812399309960000/391797 | properties | ef:agent/normalise_property_values | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v16 | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v17 |
| ef:activity/change/20260820T1812399309960000/399991 | types | ef:agent/link_flows_to_their_substance | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v17 | ef:flow/9f28ac4b-8101-4ea8-b59a-620fa2a6e055/v18 |