1H-1,4-diazepine, Hexahydro-1,4-dinitroso-
Everything that changed this flow. Back to the flow
34ebed0b-3ba7-4f51-9cca-12165a97f8db
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, link_flows_to_their_substance, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | the substance's answer, copied onto its flow |
| 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=1h-1,4-diazepine,hexahydro-1,4-dinitroso-||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'55557-00-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e658ff54a0fe7ff0: {'55557-00-1': '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 air > Emissions to urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['55557-00-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[41473]; selected_pubchem_cids=[41473]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 9,665 | bootstrap_labels | prefLabel | — | [{"@value":"1H-1,4-diazepine, hexahydro-1,4-dinitroso-","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_lab… | Bootstrapped prefLabel from legacy name field |
| 9,666 | bootstrap_labels | name | 1H-1,4-diazepine, hexahydro-1,4-dinitroso- | — | Purged legacy name field to enforce prefLabel usage |
| 9,667 | bootstrap_labels | synonyms | ["1,4-Dinitroso-1,4-diazepane","AC1L25TS","Dinitrosohomopiperazine","N,N-Dinitrosohomopiperazine","hexahydro-1,4-dinitr… | [] | Removed legacy synonyms field in favor of structured labels |
| 72,102 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 72,103 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 216,550 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,361 | normalize_name_case | prefLabel | [{"@value":"1H-1,4-diazepine, hexahydro-1,4-dinitroso-","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_lab… | [{"@value":"1H-1,4-diazepine, Hexahydro-1,4-dinitroso-","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_lab… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 236,415 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10N4O2"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 236,416 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,417 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J57.936J","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['55557-00-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[41473]; selected_pubchem_cids=[41473]; 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 |
| 250,970 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10N4O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10N4O2"… | rdkit_pre_consensus from 'C1CN(CCN(C1)N=O)N=O'; added: molecular_mass, monoisotopic_mass |
| 259,395 | consensus_match | altLabel | [] | [{"@value":"1,4-Dinitroso-[1,4]diazepane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | group_key=1h-1,4-diazepine,hexahydro-1,4-dinitroso-||dimension=Environmental > media=Air > strata=Unknown; cas=55557-00-1; added Common Chemistry CAS names as altLabel: 1,4-Dinitroso-[1,4]diazepane, Dinitrosohomopiperazine, Hexahydro-1,4-dinitroso-1<em>H</em>-1,4-diazepine; object_uuid=fo-e658ff54a0fe7ff0 |
| 259,396 | consensus_match | cas_match_labels | — | {"55557-00-1":"exactMatch"} | group_key=1h-1,4-diazepine,hexahydro-1,4-dinitroso-||dimension=Environmental > media=Air > strata=Unknown; group_sources=['pubchem']; cas_sources={'55557-00-1': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e658ff54a0fe7ff0: {'55557-00-1': 'exactMatch'} |
| 276,155 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10N4O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10N4O2"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1H-1,4-diazepine, Hexahydro-1,4-dinitroso-' |
| 282,732 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10N4O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10N4O2"… | rdkit_post_consensus from 'O=NN1CCCN(N=O)CC1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,451 | dedupe_altlabels | altLabel | [{"@value":"1,4-Dinitroso-[1,4]diazepane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | [{"@value":"1,4-Dinitroso-[1,4]diazepane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasA… | Deduplicated altLabel values and removed entries matching prefLabel |
| 317,061 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/34ebed0b-3ba7-… | associations resolved on the elementary layer |
| 390,494 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10N4O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10N4O2"… | typed the way the ontology types it |
| 398,124 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
| 398,125 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10N4O2"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10N4O2"… | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260820T1812399309960000/9665 | prefLabel | ef:agent/bootstrap_labels | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v0 | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v1 |
| ef:activity/change/20260820T1812399309960000/9666 | name | ef:agent/bootstrap_labels | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v1 | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v2 |
| ef:activity/change/20260820T1812399309960000/9667 | synonyms | ef:agent/bootstrap_labels | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v2 | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v3 |
| ef:activity/change/20260820T1812399309960000/72102 | context | ef:agent/default_context_mapping | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v3 | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v4 |
| ef:activity/change/20260820T1812399309960000/72103 | context_iri | ef:agent/default_context_mapping | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v4 | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v5 |
| ef:activity/change/20260820T1812399309960000/216550 | unit_iri | ef:agent/unit_normalization | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v5 | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v6 |
| ef:activity/change/20260820T1812399309960000/223361 | prefLabel | ef:agent/normalize_name_case | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v6 | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v7 |
| ef:activity/change/20260820T1812399309960000/236415 | properties | ef:agent/enrich_references | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v7 | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v8 |
| ef:activity/change/20260820T1812399309960000/236416 | skos_definition | ef:agent/enrich_references | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v8 | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v9 |
| ef:activity/change/20260820T1812399309960000/236417 | references | ef:agent/enrich_references | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v9 | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v10 |
| ef:activity/change/20260820T1812399309960000/250970 | properties | ef:agent/rdkit_pre_consensus | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v10 | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v11 |
| ef:activity/change/20260820T1812399309960000/259395 | altLabel | ef:agent/consensus_match | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v11 | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v12 |
| ef:activity/change/20260820T1812399309960000/259396 | cas_match_labels | ef:agent/consensus_match | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v12 | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v13 |
| ef:activity/change/20260820T1812399309960000/276155 | properties | ef:agent/opsin_iupac | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v13 | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v14 |
| ef:activity/change/20260820T1812399309960000/282732 | properties | ef:agent/rdkit_post_consensus | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v14 | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v15 |
| ef:activity/change/20260820T1812399309960000/292451 | altLabel | ef:agent/dedupe_altlabels | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v15 | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v16 |
| ef:activity/change/20260820T1812399309960000/317061 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v16 | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v17 |
| ef:activity/change/20260820T1812399309960000/390494 | properties | ef:agent/normalise_property_values | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v17 | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v18 |
| ef:activity/change/20260820T1812399309960000/398124 | types | ef:agent/link_flows_to_their_substance | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v18 | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v19 |
| ef:activity/change/20260820T1812399309960000/398125 | properties | ef:agent/link_flows_to_their_substance | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v19 | ef:flow/34ebed0b-3ba7-4f51-9cca-12165a97f8db/v20 |