Isonicotinaldehyde
Everything that changed this flow. Back to the flow
a0970ed7-d26a-42c7-8ea5-dcd123da9c4d
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 8953' (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=isonicotinaldehyde||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'872-85-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-95f3357c4c1d2f5e: {'872-85-5': '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=['872-85-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[13389, 27000, 14495648]; selected_pubchem_cids=[13389]; 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 |
|---|---|---|---|---|---|
| 10,765 | bootstrap_labels | prefLabel | — | [{"@value":"isonicotinaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Bootstrapped prefLabel from legacy name field |
| 10,766 | bootstrap_labels | name | isonicotinaldehyde | — | Purged legacy name field to enforce prefLabel usage |
| 10,767 | bootstrap_labels | synonyms | ["4-FORMYLPYRIDINE","4-Pyridinealdehyde","4-Pyridinecarboxaldehyde","4-Pyridylaldehyde","AC-2103","AC1L21MI","AKOS00011… | [] | Removed legacy synonyms field in favor of structured labels |
| 145,268 | 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 |
| 145,269 | 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 |
| 216,908 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,609 | normalize_name_case | prefLabel | [{"@value":"isonicotinaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | [{"@value":"Isonicotinaldehyde","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 237,428 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NO"],"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 237,429 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 237,430 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J28.013E","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['872-85-5']; matched_chebi_ids=[]; candidate_pubchem_cids=[13389, 27000, 14495648]; selected_pubchem_cids=[13389]; 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 |
| 251,257 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NO"],"… | rdkit_pre_consensus from 'C1=CN=CC=C1C=O'; added: molecular_mass, monoisotopic_mass |
| 268,102 | consensus_match | altLabel | [] | [{"@value":"4-Formylpyridine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo"… | group_key=isonicotinaldehyde||dimension=Environmental > media=Water > water_body=Unknown; cas=872-85-5; added Common Chemistry CAS names as altLabel: 4-Formylpyridine, 4-Pyridinealdehyde, 4-Pyridinecarboxaldehyde, 4-Pyridylcarboxyaldehyde, <em>p</em>-Formylpyridine, <em>p</em>-Pyridinealdehyde, <em>p</em>-Pyridylaldehyde, Isonicotinic aldehyde, NSC 8953, Pyridin-4-al, Pyridin-4-carboxaldehyde, Pyridin-4-ylcarboxaldehyde, Pyridine-4-carbaldehyde, γ-Formylpyridine; object_uuid=fo-95f3357c4c1d2f5e |
| 268,103 | consensus_match | cas_match_labels | — | {"872-85-5":"exactMatch"} | group_key=isonicotinaldehyde||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'872-85-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-95f3357c4c1d2f5e: {'872-85-5': 'exactMatch'} |
| 276,441 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NO"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Isonicotinaldehyde' |
| 283,047 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NO"],"… | rdkit_post_consensus from 'O=Cc1ccncc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,492 | strip_catalogue_altlabels | altLabel | [{"@value":"4-Formylpyridine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo"… | [{"@value":"4-Formylpyridine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo"… | Removed 1 catalogue altLabel value(s): 'NSC 8953' (registry code) |
| 353,636 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a0970ed7-d26a-… | associations resolved on the elementary layer |
| 390,797 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NO"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C6H5NO"],"… | typed the way the ontology types it |
| 398,567 | 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/20260822T0600486828500000/10765 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v0 | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v1 |
| ef:activity/change/20260822T0600486828500000/10766 | name | ef:agent/bootstrap_labels | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v1 | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v2 |
| ef:activity/change/20260822T0600486828500000/10767 | synonyms | ef:agent/bootstrap_labels | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v2 | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v3 |
| ef:activity/change/20260822T0600486828500000/145268 | context | ef:agent/default_context_mapping | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v3 | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v4 |
| ef:activity/change/20260822T0600486828500000/145269 | context_iri | ef:agent/default_context_mapping | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v4 | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v5 |
| ef:activity/change/20260822T0600486828500000/216908 | unit_iri | ef:agent/unit_normalization | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v5 | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v6 |
| ef:activity/change/20260822T0600486828500000/223609 | prefLabel | ef:agent/normalize_name_case | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v6 | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v7 |
| ef:activity/change/20260822T0600486828500000/237428 | properties | ef:agent/enrich_references | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v7 | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v8 |
| ef:activity/change/20260822T0600486828500000/237429 | skos_definition | ef:agent/enrich_references | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v8 | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v9 |
| ef:activity/change/20260822T0600486828500000/237430 | references | ef:agent/enrich_references | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v9 | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v10 |
| ef:activity/change/20260822T0600486828500000/251257 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v10 | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v11 |
| ef:activity/change/20260822T0600486828500000/268102 | altLabel | ef:agent/consensus_match | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v11 | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v12 |
| ef:activity/change/20260822T0600486828500000/268103 | cas_match_labels | ef:agent/consensus_match | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v12 | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v13 |
| ef:activity/change/20260822T0600486828500000/276441 | properties | ef:agent/opsin_iupac | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v13 | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v14 |
| ef:activity/change/20260822T0600486828500000/283047 | properties | ef:agent/rdkit_post_consensus | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v14 | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v15 |
| ef:activity/change/20260822T0600486828500000/289492 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v15 | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v16 |
| ef:activity/change/20260822T0600486828500000/353636 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v16 | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v17 |
| ef:activity/change/20260822T0600486828500000/390797 | properties | ef:agent/normalise_property_values | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v17 | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v18 |
| ef:activity/change/20260822T0600486828500000/398567 | types | ef:agent/link_flows_to_their_substance | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v18 | ef:flow/a0970ed7-d26a-42c7-8ea5-dcd123da9c4d/v19 |