Azepane
Everything that changed this flow. Back to the flow
544f73ee-6582-47a4-8e80-3c9c70fa9abc
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'G 0' (grade code), 'G 0 (amine)' (grade code), 'NSC 16236' (registry 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=azepane||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'111-49-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a3b433dffa5b9f89: {'111-49-9': '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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['111-49-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_32616']; candidate_pubchem_cids=[8119, 3771689, 12433010, 19100952]; selected_pubchem_cids=[8119]; 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 |
|---|---|---|---|---|---|
| 17,483 | bootstrap_labels | prefLabel | — | [{"@value":"azepane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"consen… | Bootstrapped prefLabel from legacy name field |
| 17,484 | bootstrap_labels | name | azepane | — | Purged legacy name field to enforce prefLabel usage |
| 17,485 | bootstrap_labels | synonyms | ["organic","perhydroazepine","dytekâ®hmi"] | [] | Removed legacy synonyms field in favor of structured labels |
| 99,976 | 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 |
| 99,977 | 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 |
| 219,070 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,097 | normalize_name_case | prefLabel | [{"@value":"azepane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"consen… | [{"@value":"Azepane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"consen… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 243,572 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H13N"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 243,573 | enrich_references | skos_definition | — | [{"@value":"An azacycloalkane that is cycloheptane in which one of the carbon atoms is replaced by a nitrogen atom.","@… | Merged ChEBI/PubChem definitions into skos:definition |
| 243,574 | enrich_references | references | [] | [{"@id":"gmelin:130604","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"con… | Added references with provenance; cas_numbers=['111-49-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_32616']; candidate_pubchem_cids=[8119, 3771689, 12433010, 19100952]; selected_pubchem_cids=[8119]; 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 |
| 253,042 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H13N"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H13N"],"… | rdkit_pre_consensus from 'C1CCCNCC1'; added: monoisotopic_mass |
| 256,679 | chebi_altlabels | altLabel | [] | [{"@value":"azacycloheptane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | Added 5 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 263,974 | consensus_match | altLabel | [{"@value":"azacycloheptane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | [{"@value":"azacycloheptane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | group_key=azepane||dimension=Environmental > media=Water > water_body=Ocean; cas=111-49-9; added Common Chemistry CAS names as altLabel: 1-Azacycloheptane, 1<em>H</em>-Azepine, hexahydro-, Azepan, G 0, G 0 (amine), Homopiperidine, NSC 16236, Perhydroazepine; object_uuid=fo-a3b433dffa5b9f89 |
| 263,975 | consensus_match | cas_match_labels | — | {"111-49-9":"exactMatch"} | group_key=azepane||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'111-49-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a3b433dffa5b9f89: {'111-49-9': 'exactMatch'} |
| 278,243 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H13N"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H13N"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Azepane' |
| 284,990 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H13N"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H13N"],"… | rdkit_post_consensus from 'C1CCCNCC1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,793 | strip_catalogue_altlabels | altLabel | [{"@value":"azacycloheptane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | [{"@value":"azacycloheptane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":… | Removed 3 catalogue altLabel value(s): 'G 0' (grade code), 'G 0 (amine)' (grade code), 'NSC 16236' (registry code) |
| 330,985 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/544f73ee-6582-… | associations resolved on the elementary layer |
| 392,599 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H13N"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H13N"],"… | typed the way the ontology types it |
| 401,150 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260821T1554374006150000/17483 | prefLabel | ef:agent/bootstrap_labels | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v0 | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v1 |
| ef:activity/change/20260821T1554374006150000/17484 | name | ef:agent/bootstrap_labels | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v1 | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v2 |
| ef:activity/change/20260821T1554374006150000/17485 | synonyms | ef:agent/bootstrap_labels | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v2 | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v3 |
| ef:activity/change/20260821T1554374006150000/99976 | context | ef:agent/default_context_mapping | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v3 | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v4 |
| ef:activity/change/20260821T1554374006150000/99977 | context_iri | ef:agent/default_context_mapping | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v4 | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v5 |
| ef:activity/change/20260821T1554374006150000/219070 | unit_iri | ef:agent/unit_normalization | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v5 | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v6 |
| ef:activity/change/20260821T1554374006150000/225097 | prefLabel | ef:agent/normalize_name_case | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v6 | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v7 |
| ef:activity/change/20260821T1554374006150000/243572 | properties | ef:agent/enrich_references | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v7 | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v8 |
| ef:activity/change/20260821T1554374006150000/243573 | skos_definition | ef:agent/enrich_references | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v8 | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v9 |
| ef:activity/change/20260821T1554374006150000/243574 | references | ef:agent/enrich_references | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v9 | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v10 |
| ef:activity/change/20260821T1554374006150000/253042 | properties | ef:agent/rdkit_pre_consensus | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v10 | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v11 |
| ef:activity/change/20260821T1554374006150000/256679 | altLabel | ef:agent/chebi_altlabels | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v11 | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v12 |
| ef:activity/change/20260821T1554374006150000/263974 | altLabel | ef:agent/consensus_match | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v12 | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v13 |
| ef:activity/change/20260821T1554374006150000/263975 | cas_match_labels | ef:agent/consensus_match | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v13 | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v14 |
| ef:activity/change/20260821T1554374006150000/278243 | properties | ef:agent/opsin_iupac | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v14 | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v15 |
| ef:activity/change/20260821T1554374006150000/284990 | properties | ef:agent/rdkit_post_consensus | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v15 | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v16 |
| ef:activity/change/20260821T1554374006150000/290793 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v16 | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v17 |
| ef:activity/change/20260821T1554374006150000/330985 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v17 | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v18 |
| ef:activity/change/20260821T1554374006150000/392599 | properties | ef:agent/normalise_property_values | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v18 | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v19 |
| ef:activity/change/20260821T1554374006150000/401150 | types | ef:agent/link_flows_to_their_substance | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v19 | ef:flow/544f73ee-6582-47a4-8e80-3c9c70fa9abc/v20 |