Heptanal
Everything that changed this flow. Back to the flow
55832833-e6c7-4fef-b4f4-6249973ff908
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 1 catalogue altLabel value(s): 'NSC 2190' (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=heptanal||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'111-71-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9fb6cec0710ddbc1: {'111-71-7': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['111-71-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34787']; candidate_pubchem_cids=[8130]; selected_pubchem_cids=[8130]; 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 |
|---|---|---|---|---|---|
| 4,951 | bootstrap_labels | prefLabel | — | [{"@value":"heptanal","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | Bootstrapped prefLabel from legacy name field |
| 4,952 | bootstrap_labels | name | heptanal | — | Purged legacy name field to enforce prefLabel usage |
| 4,953 | bootstrap_labels | synonyms | ["organic","heptanal","1-heptaldehyde","1-hexanecarbaldehyde","heptan-1-al","oenanthaldehyde"] | [] | Removed legacy synonyms field in favor of structured labels |
| 100,688 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 100,689 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 214,993 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,239 | normalize_name_case | prefLabel | [{"@value":"heptanal","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | [{"@value":"Heptanal","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"conse… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,939 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 231,940 | enrich_references | skos_definition | — | [{"@value":"An n-alkanal resulting from the oxidation of the alcoholic hydroxy group of heptan-1-ol to the correspondin… | Merged ChEBI/PubChem definitions into skos:definition |
| 231,941 | enrich_references | references | [] | [{"@id":"agr:IND92060298","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"c… | Added references with provenance; cas_numbers=['111-71-7']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34787']; candidate_pubchem_cids=[8130]; selected_pubchem_cids=[8130]; 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 |
| 249,684 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O"],"… | rdkit_pre_consensus from 'CCCCCCC=O'; added: monoisotopic_mass |
| 255,008 | chebi_altlabels | altLabel | [] | [{"@value":"aldehyde C-7","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"co… | Added 17 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 267,573 | consensus_match | altLabel | [{"@value":"aldehyde C-7","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"co… | [{"@value":"aldehyde C-7","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"co… | group_key=heptanal||dimension=Environmental > media=Water > water_body=Long-term; cas=111-71-7; added Common Chemistry CAS names as altLabel: 1-Heptaldehyde, Enanthole, NSC 2190; object_uuid=fo-9fb6cec0710ddbc1 |
| 267,574 | consensus_match | cas_match_labels | — | {"111-71-7":"exactMatch"} | group_key=heptanal||dimension=Environmental > media=Water > water_body=Long-term; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'111-71-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9fb6cec0710ddbc1: {'111-71-7': 'exactMatch'} |
| 274,819 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Heptanal' |
| 281,290 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O"],"… | rdkit_post_consensus from 'CCCCCCC=O'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,277 | strip_catalogue_altlabels | altLabel | [{"@value":"aldehyde C-7","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"co… | [{"@value":"aldehyde C-7","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"co… | Removed 1 catalogue altLabel value(s): 'NSC 2190' (registry code) |
| 331,341 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/55832833-e6c7-… | associations resolved on the elementary layer |
| 389,124 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H14O"],"… | typed the way the ontology types it |
| 396,148 | 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/20260822T0600486828500000/4951 | prefLabel | ef:agent/bootstrap_labels | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v0 | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v1 |
| ef:activity/change/20260822T0600486828500000/4952 | name | ef:agent/bootstrap_labels | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v1 | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v2 |
| ef:activity/change/20260822T0600486828500000/4953 | synonyms | ef:agent/bootstrap_labels | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v2 | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v3 |
| ef:activity/change/20260822T0600486828500000/100688 | context | ef:agent/default_context_mapping | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v3 | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v4 |
| ef:activity/change/20260822T0600486828500000/100689 | context_iri | ef:agent/default_context_mapping | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v4 | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v5 |
| ef:activity/change/20260822T0600486828500000/214993 | unit_iri | ef:agent/unit_normalization | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v5 | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v6 |
| ef:activity/change/20260822T0600486828500000/222239 | prefLabel | ef:agent/normalize_name_case | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v6 | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v7 |
| ef:activity/change/20260822T0600486828500000/231939 | properties | ef:agent/enrich_references | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v7 | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v8 |
| ef:activity/change/20260822T0600486828500000/231940 | skos_definition | ef:agent/enrich_references | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v8 | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v9 |
| ef:activity/change/20260822T0600486828500000/231941 | references | ef:agent/enrich_references | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v9 | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v10 |
| ef:activity/change/20260822T0600486828500000/249684 | properties | ef:agent/rdkit_pre_consensus | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v10 | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v11 |
| ef:activity/change/20260822T0600486828500000/255008 | altLabel | ef:agent/chebi_altlabels | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v11 | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v12 |
| ef:activity/change/20260822T0600486828500000/267573 | altLabel | ef:agent/consensus_match | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v12 | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v13 |
| ef:activity/change/20260822T0600486828500000/267574 | cas_match_labels | ef:agent/consensus_match | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v13 | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v14 |
| ef:activity/change/20260822T0600486828500000/274819 | properties | ef:agent/opsin_iupac | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v14 | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v15 |
| ef:activity/change/20260822T0600486828500000/281290 | properties | ef:agent/rdkit_post_consensus | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v15 | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v16 |
| ef:activity/change/20260822T0600486828500000/288277 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v16 | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v17 |
| ef:activity/change/20260822T0600486828500000/331341 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v17 | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v18 |
| ef:activity/change/20260822T0600486828500000/389124 | properties | ef:agent/normalise_property_values | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v18 | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v19 |
| ef:activity/change/20260822T0600486828500000/396148 | types | ef:agent/link_flows_to_their_substance | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v19 | ef:flow/55832833-e6c7-4fef-b4f4-6249973ff908/v20 |