Suberonitrile
Everything that changed this flow. Back to the flow
65b1dc68-a873-4eff-9e00-aead100ac850
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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 51242' (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=suberonitrile||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'629-40-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ec4956f93bf6c037: {'629-40-3': '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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['629-40-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[12385, 10855441, 126842318]; selected_pubchem_cids=[12385]; 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
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 18,127 | bootstrap_labels | prefLabel | — | [{"@value":"suberonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Bootstrapped prefLabel from legacy name field |
| 18,128 | bootstrap_labels | name | suberonitrile | — | Purged legacy name field to enforce prefLabel usage |
| 18,129 | bootstrap_labels | synonyms | ["1,6-Dicyanohexane","AC1L1ZHC","HEXANE, 1,6-DICYANATO-","Hexa-1,6-diyl diisocyanide","Hexamethylene di-isocyanide","He… | [] | Removed legacy synonyms field in favor of structured labels |
| 110,351 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 110,352 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 219,275 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,235 | normalize_name_case | prefLabel | [{"@value":"suberonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | [{"@value":"Suberonitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 244,153 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 244,154 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 244,155 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J94.869A","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['629-40-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[12385, 10855441, 126842318]; selected_pubchem_cids=[12385]; 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 |
| 253,214 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2"],… | rdkit_pre_consensus from 'C(CCCC#N)CCC#N'; added: molecular_mass, monoisotopic_mass |
| 272,140 | consensus_match | altLabel | [] | [{"@value":"1,6-Dicyanohexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo… | group_key=suberonitrile||dimension=Environmental > media=Air > strata=Unknown; cas=629-40-3; added Common Chemistry CAS names as altLabel: 1,6-Dicyanohexane, 1,8-Octane dinitrile, D 7800-8, Hexamethylene dicyanide, NSC 51242, Octanedinitrile, Suberic acid dinitrile; object_uuid=fo-ec4956f93bf6c037 |
| 272,141 | consensus_match | cas_match_labels | — | {"629-40-3":"exactMatch"} | group_key=suberonitrile||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'629-40-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ec4956f93bf6c037: {'629-40-3': 'exactMatch'} |
| 278,423 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Suberonitrile' |
| 285,183 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2"],… | rdkit_post_consensus from 'N#CCCCCCCC#N'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,924 | strip_catalogue_altlabels | altLabel | [{"@value":"1,6-Dicyanohexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo… | [{"@value":"1,6-Dicyanohexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo… | Removed 1 catalogue altLabel value(s): 'NSC 51242' (registry code) |
| 336,212 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/65b1dc68-a873-… | associations resolved on the elementary layer |
| 392,814 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C8H12N2"],… | typed the way the ontology types it |
| 401,442 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 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/20261019T0712047113160000/18127 | prefLabel | ef:agent/bootstrap_labels | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v0 | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v1 |
| ef:activity/change/20261019T0712047113160000/18128 | name | ef:agent/bootstrap_labels | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v1 | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v2 |
| ef:activity/change/20261019T0712047113160000/18129 | synonyms | ef:agent/bootstrap_labels | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v2 | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v3 |
| ef:activity/change/20261019T0712047113160000/110351 | context | ef:agent/default_context_mapping | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v3 | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v4 |
| ef:activity/change/20261019T0712047113160000/110352 | context_iri | ef:agent/default_context_mapping | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v4 | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v5 |
| ef:activity/change/20261019T0712047113160000/219275 | unit_iri | ef:agent/unit_normalization | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v5 | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v6 |
| ef:activity/change/20261019T0712047113160000/225235 | prefLabel | ef:agent/normalize_name_case | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v6 | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v7 |
| ef:activity/change/20261019T0712047113160000/244153 | properties | ef:agent/enrich_references | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v7 | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v8 |
| ef:activity/change/20261019T0712047113160000/244154 | skos_definition | ef:agent/enrich_references | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v8 | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v9 |
| ef:activity/change/20261019T0712047113160000/244155 | references | ef:agent/enrich_references | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v9 | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v10 |
| ef:activity/change/20261019T0712047113160000/253214 | properties | ef:agent/rdkit_pre_consensus | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v10 | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v11 |
| ef:activity/change/20261019T0712047113160000/272140 | altLabel | ef:agent/consensus_match | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v11 | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v12 |
| ef:activity/change/20261019T0712047113160000/272141 | cas_match_labels | ef:agent/consensus_match | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v12 | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v13 |
| ef:activity/change/20261019T0712047113160000/278423 | properties | ef:agent/opsin_iupac | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v13 | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v14 |
| ef:activity/change/20261019T0712047113160000/285183 | properties | ef:agent/rdkit_post_consensus | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v14 | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v15 |
| ef:activity/change/20261019T0712047113160000/290924 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v15 | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v16 |
| ef:activity/change/20261019T0712047113160000/336212 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v16 | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v17 |
| ef:activity/change/20261019T0712047113160000/392814 | properties | ef:agent/normalise_property_values | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v17 | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v18 |
| ef:activity/change/20261019T0712047113160000/401442 | types | ef:agent/link_flows_to_their_substance | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v18 | ef:flow/65b1dc68-a873-4eff-9e00-aead100ac850/v19 |