Heptanoyl Chloride
Everything that changed this flow. Back to the flow
ba189c7e-ad0e-41a5-9214-9ab727ba7f19
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=heptanoylchloride||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2528-61-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c65037f99596a466: {'2528-61-2': '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 soil > Emissions to soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['2528-61-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[17313, 54759146]; selected_pubchem_cids=[17313]; 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 |
|---|---|---|---|---|---|
| 19,412 | bootstrap_labels | prefLabel | — | [{"@value":"heptanoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Bootstrapped prefLabel from legacy name field |
| 19,413 | bootstrap_labels | name | heptanoyl chloride | — | Purged legacy name field to enforce prefLabel usage |
| 19,414 | bootstrap_labels | synonyms | ["organic","heptanoylchloride"] | [] | Removed legacy synonyms field in favor of structured labels |
| 160,194 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 160,195 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 219,659 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,502 | normalize_name_case | prefLabel | [{"@value":"heptanoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | [{"@value":"Heptanoyl Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 245,227 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 245,228 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 245,229 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J95.639B","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['2528-61-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[17313, 54759146]; selected_pubchem_cids=[17313]; 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 |
| 253,518 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO"]… | rdkit_pre_consensus from 'CCCCCCC(=O)Cl'; added: molecular_mass, monoisotopic_mass |
| 267,583 | consensus_match | altLabel | [] | [{"@value":"<em>n</em>-Heptanoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | group_key=heptanoylchloride||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=2528-61-2; added Common Chemistry CAS names as altLabel: <em>n</em>-Heptanoyl chloride, Enanthoyl chloride, Enanthyl chloride, Heptanoic acid chloride; object_uuid=fo-c65037f99596a466 |
| 267,584 | consensus_match | cas_match_labels | — | {"2528-61-2":"exactMatch"} | group_key=heptanoylchloride||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2528-61-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c65037f99596a466: {'2528-61-2': 'exactMatch'} |
| 278,734 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Heptanoyl Chloride' |
| 285,517 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO"]… | rdkit_post_consensus from 'CCCCCCC(=O)Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 293,029 | dedupe_altlabels | altLabel | [{"@value":"<em>n</em>-Heptanoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | [{"@value":"n-Heptanoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttribute… | Deduplicated altLabel values and removed entries matching prefLabel |
| 361,121 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ba189c7e-ad0e-… | associations resolved on the elementary layer |
| 393,101 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H13ClO"]… | typed the way the ontology types it |
| 401,885 | 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/20260822T0600486828500000/19412 | prefLabel | ef:agent/bootstrap_labels | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v0 | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v1 |
| ef:activity/change/20260822T0600486828500000/19413 | name | ef:agent/bootstrap_labels | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v1 | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v2 |
| ef:activity/change/20260822T0600486828500000/19414 | synonyms | ef:agent/bootstrap_labels | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v2 | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v3 |
| ef:activity/change/20260822T0600486828500000/160194 | context | ef:agent/default_context_mapping | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v3 | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v4 |
| ef:activity/change/20260822T0600486828500000/160195 | context_iri | ef:agent/default_context_mapping | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v4 | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v5 |
| ef:activity/change/20260822T0600486828500000/219659 | unit_iri | ef:agent/unit_normalization | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v5 | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v6 |
| ef:activity/change/20260822T0600486828500000/225502 | prefLabel | ef:agent/normalize_name_case | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v6 | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v7 |
| ef:activity/change/20260822T0600486828500000/245227 | properties | ef:agent/enrich_references | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v7 | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v8 |
| ef:activity/change/20260822T0600486828500000/245228 | skos_definition | ef:agent/enrich_references | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v8 | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v9 |
| ef:activity/change/20260822T0600486828500000/245229 | references | ef:agent/enrich_references | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v9 | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v10 |
| ef:activity/change/20260822T0600486828500000/253518 | properties | ef:agent/rdkit_pre_consensus | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v10 | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v11 |
| ef:activity/change/20260822T0600486828500000/267583 | altLabel | ef:agent/consensus_match | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v11 | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v12 |
| ef:activity/change/20260822T0600486828500000/267584 | cas_match_labels | ef:agent/consensus_match | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v12 | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v13 |
| ef:activity/change/20260822T0600486828500000/278734 | properties | ef:agent/opsin_iupac | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v13 | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v14 |
| ef:activity/change/20260822T0600486828500000/285517 | properties | ef:agent/rdkit_post_consensus | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v14 | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v15 |
| ef:activity/change/20260822T0600486828500000/293029 | altLabel | ef:agent/dedupe_altlabels | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v15 | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v16 |
| ef:activity/change/20260822T0600486828500000/361121 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v16 | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v17 |
| ef:activity/change/20260822T0600486828500000/393101 | properties | ef:agent/normalise_property_values | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v17 | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v18 |
| ef:activity/change/20260822T0600486828500000/401885 | types | ef:agent/link_flows_to_their_substance | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v18 | ef:flow/ba189c7e-ad0e-41a5-9214-9ab727ba7f19/v19 |