1,3-dioxepane
Everything that changed this flow. Back to the flow
c31d6058-2db2-48d5-8abd-5c3f704ae21d
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 62077' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=1,3-dioxepane||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'505-65-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dffe77339d859597: {'505-65-7': '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 lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 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=['505-65-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[68162, 281255]; selected_pubchem_cids=[68162]; 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 |
|---|---|---|---|---|---|
| 12,729 | bootstrap_labels | prefLabel | — | [{"@value":"1,3-dioxepane","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Bootstrapped prefLabel from legacy name field |
| 12,730 | bootstrap_labels | name | 1,3-dioxepane | — | Purged legacy name field to enforce prefLabel usage |
| 24,068 | bootstrap_labels | synonyms | ["1,3-dioxepane","1,3-butandiolformal","1,3-dioxacycloheptane","1,3-dioxepan","1,3-dioxepane(6ci,7ci,8ci,9ci)","1,3-dio… | [] | Removed legacy synonyms field in favor of structured labels |
| 165,294 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 165,295 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 217,550 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 239,269 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O2"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 239,270 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,271 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J182.258F","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['505-65-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[68162, 281255]; selected_pubchem_cids=[68162]; 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 |
| 251,793 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O2"],… | rdkit_pre_consensus from 'C1CCOCOC1'; added: molecular_mass, monoisotopic_mass |
| 258,600 | consensus_match | altLabel | [] | [{"@value":"1,3-Dioxacycloheptane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribut… | group_key=1,3-dioxepane||dimension=Environmental > media=Water > water_body=Surface water; cas=505-65-7; added Common Chemistry CAS names as altLabel: 1,3-Dioxacycloheptane, 1,3-Dioxepan, 1,3-Dioxepin, tetrahydro-, 1,4-Butanediol formal, NSC 62077, Tetramethylene formal; object_uuid=fo-dffe77339d859597 |
| 258,601 | consensus_match | cas_match_labels | — | {"505-65-7":"exactMatch"} | group_key=1,3-dioxepane||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'505-65-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dffe77339d859597: {'505-65-7': 'exactMatch'} |
| 276,979 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,3-dioxepane' |
| 283,628 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O2"],… | rdkit_post_consensus from 'C1CCOCOC1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,872 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3-Dioxacycloheptane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribut… | [{"@value":"1,3-Dioxacycloheptane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribut… | Removed 1 catalogue altLabel value(s): 'NSC 62077' (registry code) |
| 363,666 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/c31d6058-2db2-… | associations resolved on the elementary layer |
| 391,328 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C5H10O2"],… | typed the way the ontology types it |
| 399,312 | 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/20260820T1812399309960000/12729 | prefLabel | ef:agent/bootstrap_labels | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v0 | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v1 |
| ef:activity/change/20260820T1812399309960000/12730 | name | ef:agent/bootstrap_labels | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v1 | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v2 |
| ef:activity/change/20260820T1812399309960000/24068 | synonyms | ef:agent/bootstrap_labels | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v2 | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v3 |
| ef:activity/change/20260820T1812399309960000/165294 | context | ef:agent/default_context_mapping | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v3 | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v4 |
| ef:activity/change/20260820T1812399309960000/165295 | context_iri | ef:agent/default_context_mapping | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v4 | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v5 |
| ef:activity/change/20260820T1812399309960000/217550 | unit_iri | ef:agent/unit_normalization | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v5 | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v6 |
| ef:activity/change/20260820T1812399309960000/239269 | properties | ef:agent/enrich_references | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v6 | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v7 |
| ef:activity/change/20260820T1812399309960000/239270 | skos_definition | ef:agent/enrich_references | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v7 | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v8 |
| ef:activity/change/20260820T1812399309960000/239271 | references | ef:agent/enrich_references | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v8 | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v9 |
| ef:activity/change/20260820T1812399309960000/251793 | properties | ef:agent/rdkit_pre_consensus | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v9 | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v10 |
| ef:activity/change/20260820T1812399309960000/258600 | altLabel | ef:agent/consensus_match | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v10 | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v11 |
| ef:activity/change/20260820T1812399309960000/258601 | cas_match_labels | ef:agent/consensus_match | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v11 | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v12 |
| ef:activity/change/20260820T1812399309960000/276979 | properties | ef:agent/opsin_iupac | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v12 | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v13 |
| ef:activity/change/20260820T1812399309960000/283628 | properties | ef:agent/rdkit_post_consensus | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v13 | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v14 |
| ef:activity/change/20260820T1812399309960000/289872 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v14 | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v15 |
| ef:activity/change/20260820T1812399309960000/363666 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v15 | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v16 |
| ef:activity/change/20260820T1812399309960000/391328 | properties | ef:agent/normalise_property_values | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v16 | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v17 |
| ef:activity/change/20260820T1812399309960000/399312 | types | ef:agent/link_flows_to_their_substance | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v17 | ef:flow/c31d6058-2db2-48d5-8abd-5c3f704ae21d/v18 |