Nitralin
Everything that changed this flow. Back to the flow
2cb9a097-491c-4c22-ad99-42acef8e58bd
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): 'SD 11831' (grade 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=nitralin||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'4726-14-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c9ff4ba3fd924c31: {'4726-14-1': '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=['4726-14-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82190']; candidate_pubchem_cids=[20848]; selected_pubchem_cids=[20848]; 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 |
|---|---|---|---|---|---|
| 179 | bootstrap_labels | prefLabel | — | [{"@value":"nitralin","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | Bootstrapped prefLabel from legacy name field |
| 180 | bootstrap_labels | name | nitralin | — | Purged legacy name field to enforce prefLabel usage |
| 181 | bootstrap_labels | synonyms | ["2,6-Dinitro-4-methylsulfonyl-N,N-dipropylaniline","2,6-Dinitro-N,N-dipropyl-4-(methylsulfonyl)benzenamine","4-(Methyl… | [] | Removed legacy synonyms field in favor of structured labels |
| 66,624 | 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 |
| 66,625 | 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 |
| 213,398 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,134 | normalize_name_case | prefLabel | [{"@value":"nitralin","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | [{"@value":"Nitralin","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 227,338 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H19N3O6… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 227,339 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 227,340 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.067H","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['4726-14-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_82190']; candidate_pubchem_cids=[20848]; selected_pubchem_cids=[20848]; 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 |
| 248,360 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H19N3O6… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H19N3O6… | rdkit_pre_consensus from 'CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]'; added: monoisotopic_mass |
| 269,900 | consensus_match | altLabel | [] | [{"@value":"2,6-Dinitro-4-methylsulfonyl-<em>N</em>,<em>N</em>-dipropylaniline","@language":"en","source":{"prov:wasGen… | group_key=nitralin||dimension=Environmental > media=Water > water_body=Unknown; cas=4726-14-1; added Common Chemistry CAS names as altLabel: 2,6-Dinitro-4-methylsulfonyl-<em>N</em>,<em>N</em>-dipropylaniline, 2,6-Dinitro-4-methylsulfonyl-<em>N</em>-<em>N</em>-di-<em>n</em>-propylaniline, 4-(Methylsulfonyl)-2,6-dinitro-<em>N</em>,<em>N</em>-dipropylaniline, 4-(Methylsulfonyl)-2,6-dinitro-<em>N</em>,<em>N</em>-dipropylbenzenamine, <em>N</em>,<em>N</em>-Dipropyl-2,6-dinitro-4-methylsulfonylaniline, <em>N</em>,<em>N</em>-Dipropyl-4-methylsulfonyl-2,6-dinitroaniline, Aniline, 4-(methylsulfonyl)-2,6-dinitro-<em>N</em>,<em>N</em>-dipropyl-, Benzenamine, 4-(methylsulfonyl)-2,6-dinitro-<em>N</em>,<em>N</em>-dipropyl-, Nitraline, Planavin, Planavin 75, Planuin, SD 11831; object_uuid=fo-c9ff4ba3fd924c31 |
| 269,901 | consensus_match | cas_match_labels | — | {"4726-14-1":"exactMatch"} | group_key=nitralin||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'4726-14-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c9ff4ba3fd924c31: {'4726-14-1': 'exactMatch'} |
| 273,505 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H19N3O6… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H19N3O6… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,6-Dinitro-4-methylsulfonyl-N,N-dipropylaniline' |
| 279,857 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H19N3O6… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H19N3O6… | rdkit_post_consensus from 'CCCN(CCC)c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,305 | strip_catalogue_altlabels | altLabel | [{"@value":"2,6-Dinitro-4-methylsulfonyl-<em>N</em>,<em>N</em>-dipropylaniline","@language":"en","source":{"prov:wasGen… | [{"@value":"2,6-Dinitro-4-methylsulfonyl-N,N-dipropylaniline","@language":"en","source":{"prov:wasGeneratedBy":"consens… | Removed 1 catalogue altLabel value(s): 'SD 11831' (grade code) |
| 314,351 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/2cb9a097-491c-… | associations resolved on the elementary layer |
| 387,783 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H19N3O6… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H19N3O6… | typed the way the ontology types it |
| 394,256 | 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/20260820T1555490862250000/179 | prefLabel | ef:agent/bootstrap_labels | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v0 | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v1 |
| ef:activity/change/20260820T1555490862250000/180 | name | ef:agent/bootstrap_labels | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v1 | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v2 |
| ef:activity/change/20260820T1555490862250000/181 | synonyms | ef:agent/bootstrap_labels | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v2 | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v3 |
| ef:activity/change/20260820T1555490862250000/66624 | context | ef:agent/default_context_mapping | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v3 | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v4 |
| ef:activity/change/20260820T1555490862250000/66625 | context_iri | ef:agent/default_context_mapping | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v4 | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v5 |
| ef:activity/change/20260820T1555490862250000/213398 | unit_iri | ef:agent/unit_normalization | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v5 | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v6 |
| ef:activity/change/20260820T1555490862250000/221134 | prefLabel | ef:agent/normalize_name_case | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v6 | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v7 |
| ef:activity/change/20260820T1555490862250000/227338 | properties | ef:agent/enrich_references | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v7 | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v8 |
| ef:activity/change/20260820T1555490862250000/227339 | skos_definition | ef:agent/enrich_references | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v8 | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v9 |
| ef:activity/change/20260820T1555490862250000/227340 | references | ef:agent/enrich_references | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v9 | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v10 |
| ef:activity/change/20260820T1555490862250000/248360 | properties | ef:agent/rdkit_pre_consensus | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v10 | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v11 |
| ef:activity/change/20260820T1555490862250000/269900 | altLabel | ef:agent/consensus_match | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v11 | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v12 |
| ef:activity/change/20260820T1555490862250000/269901 | cas_match_labels | ef:agent/consensus_match | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v12 | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v13 |
| ef:activity/change/20260820T1555490862250000/273505 | properties | ef:agent/opsin_iupac | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v13 | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v14 |
| ef:activity/change/20260820T1555490862250000/279857 | properties | ef:agent/rdkit_post_consensus | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v14 | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v15 |
| ef:activity/change/20260820T1555490862250000/287305 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v15 | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v16 |
| ef:activity/change/20260820T1555490862250000/314351 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v16 | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v17 |
| ef:activity/change/20260820T1555490862250000/387783 | properties | ef:agent/normalise_property_values | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v17 | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v18 |
| ef:activity/change/20260820T1555490862250000/394256 | types | ef:agent/link_flows_to_their_substance | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v18 | ef:flow/2cb9a097-491c-4c22-ad99-42acef8e58bd/v19 |