Isophthalonitrile
Everything that changed this flow. Back to the flow
f3b5b1d4-f154-475a-b99d-3e10d483d278
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 | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 87880' (registry code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=626-17-5; cc_chebi_agreed_name='Isophthalonitrile'; object_uuid=fo-882e54f63af04267 |
| cas_match_labels | 1 | consensus_match | group_key=benzene-1,3-dicarbonitrile||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'626-17-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-882e54f63af04267: {'626-17-5': '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 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=['626-17-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_38218']; candidate_pubchem_cids=[12276]; selected_pubchem_cids=[12276]; 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
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 22,979 | bootstrap_labels | prefLabel | — | [{"@value":"benzene-1,3-dicarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | Bootstrapped prefLabel from legacy name field |
| 22,980 | bootstrap_labels | name | benzene-1,3-dicarbonitrile | — | Purged legacy name field to enforce prefLabel usage |
| 22,981 | bootstrap_labels | synonyms | ["1,3-Benzendikarbonitril","1,3-Benzenedicarbonitrile","1,3-Benzodinitrile","1,3-DICYANOBENZENE","3-Cyanobenzonitrile",… | [] | Removed legacy synonyms field in favor of structured labels |
| 196,292 | 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 |
| 196,293 | 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 |
| 220,598 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,248 | normalize_name_case | prefLabel | [{"@value":"benzene-1,3-dicarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | [{"@value":"Benzene-1,3-dicarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 247,772 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4N2"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 247,773 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 247,774 | enrich_references | references | [] | [{"@id":"beilstein:2038364","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":… | Added references with provenance; cas_numbers=['626-17-5']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_38218']; candidate_pubchem_cids=[12276]; selected_pubchem_cids=[12276]; 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 |
| 254,257 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4N2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4N2"],"… | rdkit_pre_consensus from 'C1=CC(=CC(=C1)C#N)C#N'; added: monoisotopic_mass |
| 257,285 | chebi_altlabels | altLabel | [] | [{"@value":"1,3-Benzenedicarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | Added 6 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 264,095 | consensus_match | prefLabel | [{"@value":"Benzene-1,3-dicarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAt… | [{"@value":"Isophthalonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo… | cas=626-17-5; cc_chebi_agreed_name='Isophthalonitrile'; object_uuid=fo-882e54f63af04267 |
| 264,096 | consensus_match | altLabel | [{"@value":"1,3-Benzenedicarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | [{"@value":"1,3-Benzenedicarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | cas=626-17-5; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-882e54f63af04267 |
| 264,097 | consensus_match | altLabel | [{"@value":"1,3-Benzenedicarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | [{"@value":"1,3-Benzenedicarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | group_key=benzene-1,3-dicarbonitrile||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=626-17-5; added Common Chemistry CAS names as altLabel: 1,3-Benzodinitrile, 1,3-Bis(cyano)benzene, <em>m</em>-Benzenedinitrile, <em>m</em>-Cyanobenzonitrile, Meta-dicyanobenzene, NSC 87880; object_uuid=fo-882e54f63af04267 |
| 264,098 | consensus_match | cas_match_labels | — | {"626-17-5":"exactMatch"} | group_key=benzene-1,3-dicarbonitrile||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'626-17-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-882e54f63af04267: {'626-17-5': 'exactMatch'} |
| 279,489 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4N2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4N2"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Isophthalonitrile' |
| 286,366 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4N2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4N2"],"… | rdkit_post_consensus from 'N#Cc1cccc(C#N)c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,706 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3-Benzenedicarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | [{"@value":"1,3-Benzenedicarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | Removed 1 catalogue altLabel value(s): 'NSC 87880' (registry code) |
| 379,179 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/f3b5b1d4-f154-… | associations resolved on the elementary layer |
| 393,883 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4N2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H4N2"],"… | typed the way the ontology types it |
| 403,102 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
22 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/20260822T0600486828500000/22979 | prefLabel | ef:agent/bootstrap_labels | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v0 | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v1 |
| ef:activity/change/20260822T0600486828500000/22980 | name | ef:agent/bootstrap_labels | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v1 | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v2 |
| ef:activity/change/20260822T0600486828500000/22981 | synonyms | ef:agent/bootstrap_labels | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v2 | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v3 |
| ef:activity/change/20260822T0600486828500000/196292 | context | ef:agent/default_context_mapping | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v3 | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v4 |
| ef:activity/change/20260822T0600486828500000/196293 | context_iri | ef:agent/default_context_mapping | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v4 | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v5 |
| ef:activity/change/20260822T0600486828500000/220598 | unit_iri | ef:agent/unit_normalization | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v5 | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v6 |
| ef:activity/change/20260822T0600486828500000/226248 | prefLabel | ef:agent/normalize_name_case | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v6 | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v7 |
| ef:activity/change/20260822T0600486828500000/247772 | properties | ef:agent/enrich_references | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v7 | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v8 |
| ef:activity/change/20260822T0600486828500000/247773 | skos_definition | ef:agent/enrich_references | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v8 | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v9 |
| ef:activity/change/20260822T0600486828500000/247774 | references | ef:agent/enrich_references | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v9 | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v10 |
| ef:activity/change/20260822T0600486828500000/254257 | properties | ef:agent/rdkit_pre_consensus | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v10 | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v11 |
| ef:activity/change/20260822T0600486828500000/257285 | altLabel | ef:agent/chebi_altlabels | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v11 | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v12 |
| ef:activity/change/20260822T0600486828500000/264095 | prefLabel | ef:agent/consensus_match | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v12 | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v13 |
| ef:activity/change/20260822T0600486828500000/264096 | altLabel | ef:agent/consensus_match | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v13 | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v14 |
| ef:activity/change/20260822T0600486828500000/264097 | altLabel | ef:agent/consensus_match | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v14 | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v15 |
| ef:activity/change/20260822T0600486828500000/264098 | cas_match_labels | ef:agent/consensus_match | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v15 | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v16 |
| ef:activity/change/20260822T0600486828500000/279489 | properties | ef:agent/opsin_iupac | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v16 | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v17 |
| ef:activity/change/20260822T0600486828500000/286366 | properties | ef:agent/rdkit_post_consensus | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v17 | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v18 |
| ef:activity/change/20260822T0600486828500000/291706 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v18 | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v19 |
| ef:activity/change/20260822T0600486828500000/379179 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v19 | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v20 |
| ef:activity/change/20260822T0600486828500000/393883 | properties | ef:agent/normalise_property_values | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v20 | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v21 |
| ef:activity/change/20260822T0600486828500000/403102 | types | ef:agent/link_flows_to_their_substance | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v21 | ef:flow/f3b5b1d4-f154-475a-b99d-3e10d483d278/v22 |