Benzonitrile
Everything that changed this flow. Back to the flow
ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a
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 8039' (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=benzonitrile||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'100-47-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a05b0a8d5be8f1d: {'100-47-0': '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 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 agricultural soil |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['100-47-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_27991']; candidate_pubchem_cids=[7505, 76889, 282137, 345363, 67297604]; selected_pubchem_cids=[7505]; 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 |
|---|---|---|---|---|---|
| 5,426 | bootstrap_labels | prefLabel | — | [{"@value":"benzonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Bootstrapped prefLabel from legacy name field |
| 5,427 | bootstrap_labels | name | benzonitrile | — | Purged legacy name field to enforce prefLabel usage |
| 5,428 | bootstrap_labels | synonyms | ["AB1003125","AC1L1OWV","AC1Q1HDV","AKOS000120125","B0082","Benzene, cyano-","Benzenecarbonitrile","Benzenenitrile","Be… | [] | Removed legacy synonyms field in favor of structured labels |
| 151,714 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 151,715 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 215,150 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,352 | normalize_name_case | prefLabel | [{"@value":"benzonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | [{"@value":"Benzonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"c… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,393 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5N"],"a… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 232,394 | enrich_references | skos_definition | — | [{"@value":"A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a phenyl group.","@language":… | Merged ChEBI/PubChem definitions into skos:definition |
| 232,395 | enrich_references | references | [] | [{"@id":"beilstein:506893","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"… | Added references with provenance; cas_numbers=['100-47-0']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_27991']; candidate_pubchem_cids=[7505, 76889, 282137, 345363, 67297604]; selected_pubchem_cids=[7505]; 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 |
| 249,812 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5N"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5N"],"a… | rdkit_pre_consensus from 'C1=CC=C(C=C1)C#N'; added: monoisotopic_mass |
| 255,064 | chebi_altlabels | altLabel | [] | [{"@value":"C6H5-CN","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | Added 6 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 264,164 | consensus_match | altLabel | [{"@value":"C6H5-CN","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | [{"@value":"C6H5-CN","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | group_key=benzonitrile||dimension=Environmental > media=Water > water_body=Ocean; cas=100-47-0; added Common Chemistry CAS names as altLabel: Benzene, cyano-, Benzenecarbonitrile, Benzonitril, NSC 8039; object_uuid=fo-6a05b0a8d5be8f1d |
| 264,165 | consensus_match | cas_match_labels | — | {"100-47-0":"exactMatch"} | group_key=benzonitrile||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'100-47-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a05b0a8d5be8f1d: {'100-47-0': 'exactMatch'} |
| 274,953 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5N"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5N"],"a… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Benzonitrile' |
| 281,433 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5N"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5N"],"a… | rdkit_post_consensus from 'N#Cc1ccccc1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,361 | strip_catalogue_altlabels | altLabel | [{"@value":"C6H5-CN","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | [{"@value":"C6H5-CN","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consens… | Removed 1 catalogue altLabel value(s): 'NSC 8039' (registry code) |
| 356,880 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ab5a9a7c-4b5e-… | associations resolved on the elementary layer |
| 389,260 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5N"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C7H5N"],"a… | typed the way the ontology types it |
| 396,331 | 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/20260821T1554374006150000/5426 | prefLabel | ef:agent/bootstrap_labels | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v0 | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v1 |
| ef:activity/change/20260821T1554374006150000/5427 | name | ef:agent/bootstrap_labels | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v1 | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v2 |
| ef:activity/change/20260821T1554374006150000/5428 | synonyms | ef:agent/bootstrap_labels | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v2 | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v3 |
| ef:activity/change/20260821T1554374006150000/151714 | context | ef:agent/default_context_mapping | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v3 | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v4 |
| ef:activity/change/20260821T1554374006150000/151715 | context_iri | ef:agent/default_context_mapping | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v4 | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v5 |
| ef:activity/change/20260821T1554374006150000/215150 | unit_iri | ef:agent/unit_normalization | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v5 | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v6 |
| ef:activity/change/20260821T1554374006150000/222352 | prefLabel | ef:agent/normalize_name_case | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v6 | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v7 |
| ef:activity/change/20260821T1554374006150000/232393 | properties | ef:agent/enrich_references | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v7 | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v8 |
| ef:activity/change/20260821T1554374006150000/232394 | skos_definition | ef:agent/enrich_references | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v8 | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v9 |
| ef:activity/change/20260821T1554374006150000/232395 | references | ef:agent/enrich_references | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v9 | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v10 |
| ef:activity/change/20260821T1554374006150000/249812 | properties | ef:agent/rdkit_pre_consensus | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v10 | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v11 |
| ef:activity/change/20260821T1554374006150000/255064 | altLabel | ef:agent/chebi_altlabels | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v11 | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v12 |
| ef:activity/change/20260821T1554374006150000/264164 | altLabel | ef:agent/consensus_match | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v12 | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v13 |
| ef:activity/change/20260821T1554374006150000/264165 | cas_match_labels | ef:agent/consensus_match | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v13 | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v14 |
| ef:activity/change/20260821T1554374006150000/274953 | properties | ef:agent/opsin_iupac | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v14 | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v15 |
| ef:activity/change/20260821T1554374006150000/281433 | properties | ef:agent/rdkit_post_consensus | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v15 | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v16 |
| ef:activity/change/20260821T1554374006150000/288361 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v16 | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v17 |
| ef:activity/change/20260821T1554374006150000/356880 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v17 | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v18 |
| ef:activity/change/20260821T1554374006150000/389260 | properties | ef:agent/normalise_property_values | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v18 | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v19 |
| ef:activity/change/20260821T1554374006150000/396331 | types | ef:agent/link_flows_to_their_substance | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v19 | ef:flow/ab5a9a7c-4b5e-4749-ba4c-bb81aea2366a/v20 |