2,2-dimethyl-4-phenylpentanenitrile
Everything that changed this flow. Back to the flow
0187bd7f-539e-42ec-a58d-bab09f55b5f0
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 | 1 | consensus_match | group_key=2,2-dimethyl-4-phenylpentanenitrile||dimension=Environmental > media=Water > water_body=Unknown; cas=75490-39-0; added Common Chemistry CAS names as altLabel: 2,2,4-Trimethyl-4-phenylbutanenitrile, 2,2-Dimethyl-4-phenyl-valeronitrile, Benzenebutanenitrile, α,α,γ-trimethyl-, Valeronitrile, 2,2-dimethyl-4-phenyl-, α,α,γ-Trimethylbenzenebutanenitrile; object_uuid=fo-70e8524dfbc3b314 |
| cas_match_labels | 1 | consensus_match | group_key=2,2-dimethyl-4-phenylpentanenitrile||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'75490-39-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-70e8524dfbc3b314: {'75490-39-0': '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 water > Emissions to water, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 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=['75490-39-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[156605]; selected_pubchem_cids=[156605]; 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
17| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 1,298 | bootstrap_labels | prefLabel | — | [{"@value":"2,2-dimethyl-4-phenylpentanenitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","p… | Bootstrapped prefLabel from legacy name field |
| 1,299 | bootstrap_labels | name | 2,2-dimethyl-4-phenylpentanenitrile | — | Purged legacy name field to enforce prefLabel usage |
| 1,300 | bootstrap_labels | synonyms | ["organic","2,2,4-trimethyl-4-phenyl-butane-nitrile","khusinil"] | [] | Removed legacy synonyms field in favor of structured labels |
| 26,800 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 26,801 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 213,774 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 228,432 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H17N"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 228,433 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,434 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.781.964F","provenance":{"prov:wasGeneratedBy":"enrich_refer… | Added references with provenance; cas_numbers=['75490-39-0']; matched_chebi_ids=[]; candidate_pubchem_cids=[156605]; selected_pubchem_cids=[156605]; 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 |
| 248,684 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H17N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H17N"],… | rdkit_pre_consensus from 'CC(CC(C)(C)C#N)C1=CC=CC=C1'; added: molecular_mass, monoisotopic_mass |
| 259,672 | consensus_match | altLabel | [] | [{"@value":"2,2,4-Trimethyl-4-phenylbutanenitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","… | group_key=2,2-dimethyl-4-phenylpentanenitrile||dimension=Environmental > media=Water > water_body=Unknown; cas=75490-39-0; added Common Chemistry CAS names as altLabel: 2,2,4-Trimethyl-4-phenylbutanenitrile, 2,2-Dimethyl-4-phenyl-valeronitrile, Benzenebutanenitrile, α,α,γ-trimethyl-, Valeronitrile, 2,2-dimethyl-4-phenyl-, α,α,γ-Trimethylbenzenebutanenitrile; object_uuid=fo-70e8524dfbc3b314 |
| 259,673 | consensus_match | cas_match_labels | — | {"75490-39-0":"exactMatch"} | group_key=2,2-dimethyl-4-phenylpentanenitrile||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'75490-39-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-70e8524dfbc3b314: {'75490-39-0': 'exactMatch'} |
| 273,819 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H17N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H17N"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '2,2-dimethyl-4-phenylpentanenitrile' |
| 280,202 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H17N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H17N"],… | rdkit_post_consensus from 'CC(CC(C)(C)C#N)c1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 294,464 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0187bd7f-539e-… | associations resolved on the elementary layer |
| 388,103 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H17N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H17N"],… | typed the way the ontology types it |
| 394,701 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
17 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/20260820T1416470405690000/1298 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v0 | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v1 |
| ef:activity/change/20260820T1416470405690000/1299 | name | ef:agent/bootstrap_labels | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v1 | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v2 |
| ef:activity/change/20260820T1416470405690000/1300 | synonyms | ef:agent/bootstrap_labels | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v2 | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v3 |
| ef:activity/change/20260820T1416470405690000/26800 | context | ef:agent/default_context_mapping | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v3 | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v4 |
| ef:activity/change/20260820T1416470405690000/26801 | context_iri | ef:agent/default_context_mapping | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v4 | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v5 |
| ef:activity/change/20260820T1416470405690000/213774 | unit_iri | ef:agent/unit_normalization | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v5 | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v6 |
| ef:activity/change/20260820T1416470405690000/228432 | properties | ef:agent/enrich_references | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v6 | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v7 |
| ef:activity/change/20260820T1416470405690000/228433 | skos_definition | ef:agent/enrich_references | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v7 | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v8 |
| ef:activity/change/20260820T1416470405690000/228434 | references | ef:agent/enrich_references | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v8 | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v9 |
| ef:activity/change/20260820T1416470405690000/248684 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v9 | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v10 |
| ef:activity/change/20260820T1416470405690000/259672 | altLabel | ef:agent/consensus_match | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v10 | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v11 |
| ef:activity/change/20260820T1416470405690000/259673 | cas_match_labels | ef:agent/consensus_match | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v11 | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v12 |
| ef:activity/change/20260820T1416470405690000/273819 | properties | ef:agent/opsin_iupac | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v12 | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v13 |
| ef:activity/change/20260820T1416470405690000/280202 | properties | ef:agent/rdkit_post_consensus | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v13 | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v14 |
| ef:activity/change/20260820T1416470405690000/294464 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v14 | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v15 |
| ef:activity/change/20260820T1416470405690000/388103 | properties | ef:agent/normalise_property_values | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v15 | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v16 |
| ef:activity/change/20260820T1416470405690000/394701 | types | ef:agent/link_flows_to_their_substance | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v16 | ef:flow/0187bd7f-539e-42ec-a58d-bab09f55b5f0/v17 |