N',n'''-hexane-1,6-diylbis(1-benzylurea)
Everything that changed this flow. Back to the flow
980db29b-7bd5-477c-840c-7fb391b319cb
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| 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=n',n'''-hexane-1,6-diylbis(1-benzylurea)||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'39072-70-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3e72a3a01c7b21f5: {'39072-70-3': '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 water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, 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=['39072-70-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[2818389]; selected_pubchem_cids=[2818389]; 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 |
|---|---|---|---|---|---|
| 12,121 | bootstrap_labels | prefLabel | — | [{"@value":"n',n'''-hexane-1,6-diylbis(1-benzylurea)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_label… | Bootstrapped prefLabel from legacy name field |
| 12,122 | bootstrap_labels | name | n',n'''-hexane-1,6-diylbis(1-benzylurea) | — | Purged legacy name field to enforce prefLabel usage |
| 12,123 | bootstrap_labels | synonyms | ["organic","n,n'","'","-hexane-1,6-diylbis[n'","-benzylurea]","sagcontrolagent(sca)"] | [] | Removed legacy synonyms field in favor of structured labels |
| 140,112 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 140,113 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 217,353 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,898 | normalize_name_case | prefLabel | [{"@value":"n',n'''-hexane-1,6-diylbis(1-benzylurea)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_label… | [{"@value":"N',n'''-hexane-1,6-diylbis(1-benzylurea)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_label… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,700 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H30N4O2… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,701 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,702 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J261.297F","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['39072-70-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[2818389]; selected_pubchem_cids=[2818389]; 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 |
| 251,628 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H30N4O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H30N4O2… | rdkit_pre_consensus from 'C1=CC=C(C=C1)CNC(=O)NCCCCCCNC(=O)NCC2=CC=CC=C2'; added: molecular_mass, monoisotopic_mass |
| 269,083 | consensus_match | altLabel | [] | [{"@value":"1,1′-hexamethylenebis(3-benzylurea)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | group_key=n',n'''-hexane-1,6-diylbis(1-benzylurea)||dimension=Environmental > media=Water > water_body=Ocean; cas=39072-70-3; added Common Chemistry CAS names as altLabel: 1,1′-hexamethylenebis(3-benzylurea), 1-Benzyl-3-[6-(3-benzyl-ureido)-hexyl]-urea, 1-Benzyl-3-[6-(benzylcarbamoylamino)hexyl]urea, <em>N</em>,<em>N</em>′′-1,6-Hexanediylbis[<em>N</em>′-(phenylmethyl)urea], Urea, <em>N</em>,<em>N</em>′′-1,6-hexanediylbis[<em>N</em>′-(phenylmethyl)-; object_uuid=fo-3e72a3a01c7b21f5 |
| 269,084 | consensus_match | cas_match_labels | — | {"39072-70-3":"exactMatch"} | group_key=n',n'''-hexane-1,6-diylbis(1-benzylurea)||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory']; cas_sources={'39072-70-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3e72a3a01c7b21f5: {'39072-70-3': 'exactMatch'} |
| 276,806 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H30N4O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H30N4O2… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,1′-hexamethylenebis(3-benzylurea)' |
| 283,449 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H30N4O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H30N4O2… | rdkit_post_consensus from 'O=C(NCCCCCCNC(=O)NCc1ccccc1)NCc1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,617 | dedupe_altlabels | altLabel | [{"@value":"1,1′-hexamethylenebis(3-benzylurea)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | [{"@value":"1,1′-hexamethylenebis(3-benzylurea)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | Deduplicated altLabel values and removed entries matching prefLabel |
| 351,057 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/980db29b-7bd5-… | associations resolved on the elementary layer |
| 391,165 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H30N4O2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C22H30N4O2… | typed the way the ontology types it |
| 399,083 | 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/20260822T0600486828500000/12121 | prefLabel | ef:agent/bootstrap_labels | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v0 | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v1 |
| ef:activity/change/20260822T0600486828500000/12122 | name | ef:agent/bootstrap_labels | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v1 | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v2 |
| ef:activity/change/20260822T0600486828500000/12123 | synonyms | ef:agent/bootstrap_labels | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v2 | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v3 |
| ef:activity/change/20260822T0600486828500000/140112 | context | ef:agent/default_context_mapping | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v3 | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v4 |
| ef:activity/change/20260822T0600486828500000/140113 | context_iri | ef:agent/default_context_mapping | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v4 | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v5 |
| ef:activity/change/20260822T0600486828500000/217353 | unit_iri | ef:agent/unit_normalization | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v5 | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v6 |
| ef:activity/change/20260822T0600486828500000/223898 | prefLabel | ef:agent/normalize_name_case | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v6 | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v7 |
| ef:activity/change/20260822T0600486828500000/238700 | properties | ef:agent/enrich_references | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v7 | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v8 |
| ef:activity/change/20260822T0600486828500000/238701 | skos_definition | ef:agent/enrich_references | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v8 | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v9 |
| ef:activity/change/20260822T0600486828500000/238702 | references | ef:agent/enrich_references | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v9 | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v10 |
| ef:activity/change/20260822T0600486828500000/251628 | properties | ef:agent/rdkit_pre_consensus | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v10 | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v11 |
| ef:activity/change/20260822T0600486828500000/269083 | altLabel | ef:agent/consensus_match | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v11 | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v12 |
| ef:activity/change/20260822T0600486828500000/269084 | cas_match_labels | ef:agent/consensus_match | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v12 | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v13 |
| ef:activity/change/20260822T0600486828500000/276806 | properties | ef:agent/opsin_iupac | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v13 | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v14 |
| ef:activity/change/20260822T0600486828500000/283449 | properties | ef:agent/rdkit_post_consensus | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v14 | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v15 |
| ef:activity/change/20260822T0600486828500000/292617 | altLabel | ef:agent/dedupe_altlabels | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v15 | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v16 |
| ef:activity/change/20260822T0600486828500000/351057 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v16 | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v17 |
| ef:activity/change/20260822T0600486828500000/391165 | properties | ef:agent/normalise_property_values | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v17 | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v18 |
| ef:activity/change/20260822T0600486828500000/399083 | types | ef:agent/link_flows_to_their_substance | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v18 | ef:flow/980db29b-7bd5-477c-840c-7fb391b319cb/v19 |