2-(3-benzoylphenyl)propanenitrile
Everything that changed this flow. Back to the flow
3780ef8b-d764-4553-b263-76345efb7175
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 |
| cas_match_labels | 1 | consensus_match | group_key=2-(3-benzoylphenyl)propanenitrile||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'42872-30-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3e335e658a23f5ac: {'42872-30-0': '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 non-agricultural soil |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 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=['42872-30-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[39325]; selected_pubchem_cids=[39325]; 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 |
|---|---|---|---|---|---|
| 12,072 | bootstrap_labels | prefLabel | — | [{"@value":"2-(3-benzoylphenyl)propanenitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | Bootstrapped prefLabel from legacy name field |
| 12,073 | bootstrap_labels | name | 2-(3-benzoylphenyl)propanenitrile | — | Purged legacy name field to enforce prefLabel usage |
| 12,074 | bootstrap_labels | synonyms | ["organic","2-(m-benzoylphenyl)propionitrile","ketoprofennitrile"] | [] | Removed legacy synonyms field in favor of structured labels |
| 73,568 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 73,569 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 217,337 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 238,653 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H13NO"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,654 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,655 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J236.503K","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['42872-30-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[39325]; selected_pubchem_cids=[39325]; 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 |
| 251,614 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H13NO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H13NO"]… | rdkit_pre_consensus from 'CC(C#N)C1=CC(=CC=C1)C(=O)C2=CC=CC=C2'; added: molecular_mass, monoisotopic_mass |
| 260,288 | consensus_match | altLabel | [] | [{"@value":"2-(3-Benzoylphenyl)propionitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | group_key=2-(3-benzoylphenyl)propanenitrile||dimension=Environmental > media=Air > strata=Long-term; cas=42872-30-0; added Common Chemistry CAS names as altLabel: 2-(3-Benzoylphenyl)propionitrile, 2-(<em>m</em>-Benzoylphenyl)propionitrile, 3-Benzoyl-α-methylbenzeneacetonitrile, Benzeneacetonitrile, 3-benzoyl-α-methyl-; object_uuid=fo-3e335e658a23f5ac |
| 260,289 | consensus_match | cas_match_labels | — | {"42872-30-0":"exactMatch"} | group_key=2-(3-benzoylphenyl)propanenitrile||dimension=Environmental > media=Air > strata=Long-term; group_sources=['ec_inventory', 'pubchem']; cas_sources={'42872-30-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3e335e658a23f5ac: {'42872-30-0': 'exactMatch'} |
| 276,789 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H13NO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H13NO"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2-(3-benzoylphenyl)propanenitrile' |
| 283,431 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H13NO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H13NO"]… | rdkit_post_consensus from 'CC(C#N)c1cccc(C(=O)c2ccccc2)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,610 | dedupe_altlabels | altLabel | [{"@value":"2-(3-Benzoylphenyl)propionitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | [{"@value":"2-(3-Benzoylphenyl)propionitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:… | Deduplicated altLabel values and removed entries matching prefLabel |
| 317,798 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3780ef8b-d764-… | associations resolved on the elementary layer |
| 391,148 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H13NO"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H13NO"]… | typed the way the ontology types it |
| 399,058 | 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/20260821T1122181958110000/12072 | prefLabel | ef:agent/bootstrap_labels | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v0 | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v1 |
| ef:activity/change/20260821T1122181958110000/12073 | name | ef:agent/bootstrap_labels | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v1 | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v2 |
| ef:activity/change/20260821T1122181958110000/12074 | synonyms | ef:agent/bootstrap_labels | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v2 | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v3 |
| ef:activity/change/20260821T1122181958110000/73568 | context | ef:agent/default_context_mapping | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v3 | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v4 |
| ef:activity/change/20260821T1122181958110000/73569 | context_iri | ef:agent/default_context_mapping | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v4 | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v5 |
| ef:activity/change/20260821T1122181958110000/217337 | unit_iri | ef:agent/unit_normalization | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v5 | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v6 |
| ef:activity/change/20260821T1122181958110000/238653 | properties | ef:agent/enrich_references | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v6 | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v7 |
| ef:activity/change/20260821T1122181958110000/238654 | skos_definition | ef:agent/enrich_references | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v7 | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v8 |
| ef:activity/change/20260821T1122181958110000/238655 | references | ef:agent/enrich_references | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v8 | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v9 |
| ef:activity/change/20260821T1122181958110000/251614 | properties | ef:agent/rdkit_pre_consensus | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v9 | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v10 |
| ef:activity/change/20260821T1122181958110000/260288 | altLabel | ef:agent/consensus_match | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v10 | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v11 |
| ef:activity/change/20260821T1122181958110000/260289 | cas_match_labels | ef:agent/consensus_match | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v11 | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v12 |
| ef:activity/change/20260821T1122181958110000/276789 | properties | ef:agent/opsin_iupac | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v12 | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v13 |
| ef:activity/change/20260821T1122181958110000/283431 | properties | ef:agent/rdkit_post_consensus | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v13 | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v14 |
| ef:activity/change/20260821T1122181958110000/292610 | altLabel | ef:agent/dedupe_altlabels | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v14 | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v15 |
| ef:activity/change/20260821T1122181958110000/317798 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v15 | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v16 |
| ef:activity/change/20260821T1122181958110000/391148 | properties | ef:agent/normalise_property_values | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v16 | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v17 |
| ef:activity/change/20260821T1122181958110000/399058 | types | ef:agent/link_flows_to_their_substance | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v17 | ef:flow/3780ef8b-d764-4553-b263-76345efb7175/v18 |