Phthalonitrile
Everything that changed this flow. Back to the flow
785f3844-ec49-48bd-a51b-1610dc8ec62b
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 17562' (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=phthalonitrile||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'91-15-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fca0b7229137ae2d: {'91-15-6': '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 air > Emissions to air, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['91-15-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_232056']; candidate_pubchem_cids=[7042, 19597]; selected_pubchem_cids=[7042]; 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 |
|---|---|---|---|---|---|
| 21,437 | bootstrap_labels | prefLabel | — | [{"@value":"phthalonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Bootstrapped prefLabel from legacy name field |
| 21,438 | bootstrap_labels | name | phthalonitrile | — | Purged legacy name field to enforce prefLabel usage |
| 21,439 | bootstrap_labels | synonyms | ["1,2-BENZENEDICARBONITRILE","1,2-Benzendikarbonitril","1,2-Benzodinitrile","1,2-Dicyanobenzene","AC-14597","AC1L1NVG",… | [] | Removed legacy synonyms field in favor of structured labels |
| 121,408 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 121,409 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 220,218 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,942 | normalize_name_case | prefLabel | [{"@value":"phthalonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | [{"@value":"Phthalonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 246,774 | 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) |
| 246,775 | enrich_references | skos_definition | — | [{"@value":"A dinitrile that is benzene which is substituted by cyano groups at positions 1 and 2.","@language":"en","p… | Merged ChEBI/PubChem definitions into skos:definition |
| 246,776 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.921G","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['91-15-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_232056']; candidate_pubchem_cids=[7042, 19597]; selected_pubchem_cids=[7042]; 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 |
| 253,971 | 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=C(C(=C1)C#N)C#N'; added: monoisotopic_mass |
| 257,086 | chebi_altlabels | altLabel | [] | [{"@value":"1,2-benzenedicarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | Added 11 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 270,741 | consensus_match | altLabel | [{"@value":"1,2-benzenedicarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | [{"@value":"1,2-benzenedicarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | group_key=phthalonitrile||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=91-15-6; added Common Chemistry CAS names as altLabel: NSC 17562; object_uuid=fo-fca0b7229137ae2d |
| 270,742 | consensus_match | cas_match_labels | — | {"91-15-6":"exactMatch"} | group_key=phthalonitrile||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'91-15-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fca0b7229137ae2d: {'91-15-6': 'exactMatch'} |
| 279,164 | 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 'Phthalonitrile' |
| 286,019 | 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#Cc1ccccc1C#N'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 291,462 | strip_catalogue_altlabels | altLabel | [{"@value":"1,2-benzenedicarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | [{"@value":"1,2-benzenedicarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttr… | Removed 1 catalogue altLabel value(s): 'NSC 17562' (registry code) |
| 341,702 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/785f3844-ec49-… | associations resolved on the elementary layer |
| 393,551 | 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 |
| 402,598 | 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/20260821T1554374006150000/21437 | prefLabel | ef:agent/bootstrap_labels | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v0 | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v1 |
| ef:activity/change/20260821T1554374006150000/21438 | name | ef:agent/bootstrap_labels | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v1 | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v2 |
| ef:activity/change/20260821T1554374006150000/21439 | synonyms | ef:agent/bootstrap_labels | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v2 | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v3 |
| ef:activity/change/20260821T1554374006150000/121408 | context | ef:agent/default_context_mapping | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v3 | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v4 |
| ef:activity/change/20260821T1554374006150000/121409 | context_iri | ef:agent/default_context_mapping | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v4 | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v5 |
| ef:activity/change/20260821T1554374006150000/220218 | unit_iri | ef:agent/unit_normalization | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v5 | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v6 |
| ef:activity/change/20260821T1554374006150000/225942 | prefLabel | ef:agent/normalize_name_case | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v6 | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v7 |
| ef:activity/change/20260821T1554374006150000/246774 | properties | ef:agent/enrich_references | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v7 | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v8 |
| ef:activity/change/20260821T1554374006150000/246775 | skos_definition | ef:agent/enrich_references | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v8 | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v9 |
| ef:activity/change/20260821T1554374006150000/246776 | references | ef:agent/enrich_references | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v9 | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v10 |
| ef:activity/change/20260821T1554374006150000/253971 | properties | ef:agent/rdkit_pre_consensus | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v10 | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v11 |
| ef:activity/change/20260821T1554374006150000/257086 | altLabel | ef:agent/chebi_altlabels | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v11 | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v12 |
| ef:activity/change/20260821T1554374006150000/270741 | altLabel | ef:agent/consensus_match | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v12 | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v13 |
| ef:activity/change/20260821T1554374006150000/270742 | cas_match_labels | ef:agent/consensus_match | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v13 | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v14 |
| ef:activity/change/20260821T1554374006150000/279164 | properties | ef:agent/opsin_iupac | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v14 | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v15 |
| ef:activity/change/20260821T1554374006150000/286019 | properties | ef:agent/rdkit_post_consensus | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v15 | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v16 |
| ef:activity/change/20260821T1554374006150000/291462 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v16 | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v17 |
| ef:activity/change/20260821T1554374006150000/341702 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v17 | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v18 |
| ef:activity/change/20260821T1554374006150000/393551 | properties | ef:agent/normalise_property_values | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v18 | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v19 |
| ef:activity/change/20260821T1554374006150000/402598 | types | ef:agent/link_flows_to_their_substance | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v19 | ef:flow/785f3844-ec49-48bd-a51b-1610dc8ec62b/v20 |