Phenylacetonitrile
Everything that changed this flow. Back to the flow
fa1eeadf-9b49-4dad-a4d3-6881173439e9
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 2 catalogue altLabel value(s): 'NSC 118418' (registry code), 'NSC 3407' (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=phenylacetonitrile||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'140-29-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dedbcd1a8622cb60: {'140-29-4': '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 water > Emissions to fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['140-29-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_25979']; candidate_pubchem_cids=[8794, 10953488]; selected_pubchem_cids=[8794]; 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 |
|---|---|---|---|---|---|
| 3,910 | bootstrap_labels | prefLabel | — | [{"@value":"phenylacetonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Bootstrapped prefLabel from legacy name field |
| 3,911 | bootstrap_labels | name | phenylacetonitrile | — | Purged legacy name field to enforce prefLabel usage |
| 3,912 | bootstrap_labels | synonyms | ["organic","phenylacetonitrile"] | [] | Removed legacy synonyms field in favor of structured labels |
| 199,968 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 199,969 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 214,647 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,990 | normalize_name_case | prefLabel | [{"@value":"phenylacetonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | [{"@value":"Phenylacetonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 230,951 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7N"],"a… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 230,952 | enrich_references | skos_definition | — | [{"@value":"A nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a phenyl group.","@langu… | Merged ChEBI/PubChem definitions into skos:definition |
| 230,953 | enrich_references | references | [] | [{"@id":"gmelin:68893","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"cons… | Added references with provenance; cas_numbers=['140-29-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_25979']; candidate_pubchem_cids=[8794, 10953488]; selected_pubchem_cids=[8794]; 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 |
| 249,406 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7N"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7N"],"a… | rdkit_pre_consensus from 'C1=CC=C(C=C1)CC#N'; added: monoisotopic_mass |
| 254,877 | chebi_altlabels | altLabel | [] | [{"@value":"(cyanomethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | Added 8 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 270,637 | consensus_match | altLabel | [{"@value":"(cyanomethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"(cyanomethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | group_key=phenylacetonitrile||dimension=Environmental > media=Ground > geography=Agricultural; cas=140-29-4; added Common Chemistry CAS names as altLabel: 2-Phenylethanenitrile, Acetonitrile, phenyl-, Benzeneethanenitrile, NSC 118418, NSC 3407, Phenacetonitrile, α-Cyanotoluene, α-Phenylacetonitrile, α-Tolunitrile, ω-Cyanotoluene; object_uuid=fo-dedbcd1a8622cb60 |
| 270,638 | consensus_match | cas_match_labels | — | {"140-29-4":"exactMatch"} | group_key=phenylacetonitrile||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'140-29-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dedbcd1a8622cb60: {'140-29-4': 'exactMatch'} |
| 274,538 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7N"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7N"],"a… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Phenylacetonitrile' |
| 280,983 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7N"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7N"],"a… | rdkit_post_consensus from 'N#CCc1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,054 | strip_catalogue_altlabels | altLabel | [{"@value":"(cyanomethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"(cyanomethyl)benzene","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | Removed 2 catalogue altLabel value(s): 'NSC 118418' (registry code), 'NSC 3407' (registry code) |
| 381,018 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fa1eeadf-9b49-… | associations resolved on the elementary layer |
| 388,838 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7N"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H7N"],"a… | typed the way the ontology types it |
| 395,742 | 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/20260821T1554374006150000/3910 | prefLabel | ef:agent/bootstrap_labels | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v0 | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v1 |
| ef:activity/change/20260821T1554374006150000/3911 | name | ef:agent/bootstrap_labels | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v1 | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v2 |
| ef:activity/change/20260821T1554374006150000/3912 | synonyms | ef:agent/bootstrap_labels | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v2 | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v3 |
| ef:activity/change/20260821T1554374006150000/199968 | context | ef:agent/default_context_mapping | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v3 | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v4 |
| ef:activity/change/20260821T1554374006150000/199969 | context_iri | ef:agent/default_context_mapping | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v4 | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v5 |
| ef:activity/change/20260821T1554374006150000/214647 | unit_iri | ef:agent/unit_normalization | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v5 | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v6 |
| ef:activity/change/20260821T1554374006150000/221990 | prefLabel | ef:agent/normalize_name_case | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v6 | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v7 |
| ef:activity/change/20260821T1554374006150000/230951 | properties | ef:agent/enrich_references | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v7 | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v8 |
| ef:activity/change/20260821T1554374006150000/230952 | skos_definition | ef:agent/enrich_references | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v8 | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v9 |
| ef:activity/change/20260821T1554374006150000/230953 | references | ef:agent/enrich_references | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v9 | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v10 |
| ef:activity/change/20260821T1554374006150000/249406 | properties | ef:agent/rdkit_pre_consensus | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v10 | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v11 |
| ef:activity/change/20260821T1554374006150000/254877 | altLabel | ef:agent/chebi_altlabels | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v11 | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v12 |
| ef:activity/change/20260821T1554374006150000/270637 | altLabel | ef:agent/consensus_match | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v12 | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v13 |
| ef:activity/change/20260821T1554374006150000/270638 | cas_match_labels | ef:agent/consensus_match | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v13 | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v14 |
| ef:activity/change/20260821T1554374006150000/274538 | properties | ef:agent/opsin_iupac | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v14 | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v15 |
| ef:activity/change/20260821T1554374006150000/280983 | properties | ef:agent/rdkit_post_consensus | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v15 | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v16 |
| ef:activity/change/20260821T1554374006150000/288054 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v16 | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v17 |
| ef:activity/change/20260821T1554374006150000/381018 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v17 | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v18 |
| ef:activity/change/20260821T1554374006150000/388838 | properties | ef:agent/normalise_property_values | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v18 | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v19 |
| ef:activity/change/20260821T1554374006150000/395742 | types | ef:agent/link_flows_to_their_substance | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v19 | ef:flow/fa1eeadf-9b49-4dad-a4d3-6881173439e9/v20 |