3,7-dimethylnona-2,6-dienenitrile
Everything that changed this flow. Back to the flow
8157cecf-6ff7-4529-861c-76ccda25a826
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=3,7-dimethylnona-2,6-dienenitrile||dimension=Environmental > media=Air > strata=Unknown; cas=61792-11-8; added Common Chemistry CAS names as altLabel: 2,6-Nonadienenitrile, 3,7-dimethyl-, 3,7-Dimethyl-2,6-nonadienenitrile, Lemonile; object_uuid=fo-fd466cc296091d78 |
| cas_match_labels | 1 | consensus_match | group_key=3,7-dimethylnona-2,6-dienenitrile||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'61792-11-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fd466cc296091d78: {'61792-11-8': '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, indoor |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 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=['61792-11-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[112446, 6389904, 55250627]; selected_pubchem_cids=[112446]; 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 |
|---|---|---|---|---|---|
| 21,240 | bootstrap_labels | prefLabel | — | [{"@value":"3,7-dimethylnona-2,6-dienenitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","pro… | Bootstrapped prefLabel from legacy name field |
| 21,241 | bootstrap_labels | name | 3,7-dimethylnona-2,6-dienenitrile | — | Purged legacy name field to enforce prefLabel usage |
| 21,242 | bootstrap_labels | synonyms | ["organic"] | [] | Removed legacy synonyms field in favor of structured labels |
| 126,644 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 126,645 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 220,171 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 246,659 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H17N"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 246,660 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,661 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.057.449","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['61792-11-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[112446, 6389904, 55250627]; selected_pubchem_cids=[112446]; 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 |
| 253,939 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H17N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H17N"],… | rdkit_pre_consensus from 'CCC(=CCCC(=CC#N)C)C'; added: molecular_mass, monoisotopic_mass |
| 261,671 | consensus_match | altLabel | [] | [{"@value":"2,6-Nonadienenitrile, 3,7-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","pr… | group_key=3,7-dimethylnona-2,6-dienenitrile||dimension=Environmental > media=Air > strata=Unknown; cas=61792-11-8; added Common Chemistry CAS names as altLabel: 2,6-Nonadienenitrile, 3,7-dimethyl-, 3,7-Dimethyl-2,6-nonadienenitrile, Lemonile; object_uuid=fo-fd466cc296091d78 |
| 261,672 | consensus_match | cas_match_labels | — | {"61792-11-8":"exactMatch"} | group_key=3,7-dimethylnona-2,6-dienenitrile||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'61792-11-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fd466cc296091d78: {'61792-11-8': 'exactMatch'} |
| 279,129 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H17N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H17N"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3,7-dimethylnona-2,6-dienenitrile' |
| 285,982 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H17N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H17N"],… | rdkit_post_consensus from 'CCC(C)=CCCC(C)=CC#N'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 344,324 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/8157cecf-6ff7-… | associations resolved on the elementary layer |
| 393,520 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H17N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C11H17N"],… | typed the way the ontology types it |
| 402,539 | 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/20260821T1302361922970000/21240 | prefLabel | ef:agent/bootstrap_labels | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v0 | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v1 |
| ef:activity/change/20260821T1302361922970000/21241 | name | ef:agent/bootstrap_labels | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v1 | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v2 |
| ef:activity/change/20260821T1302361922970000/21242 | synonyms | ef:agent/bootstrap_labels | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v2 | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v3 |
| ef:activity/change/20260821T1302361922970000/126644 | context | ef:agent/default_context_mapping | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v3 | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v4 |
| ef:activity/change/20260821T1302361922970000/126645 | context_iri | ef:agent/default_context_mapping | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v4 | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v5 |
| ef:activity/change/20260821T1302361922970000/220171 | unit_iri | ef:agent/unit_normalization | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v5 | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v6 |
| ef:activity/change/20260821T1302361922970000/246659 | properties | ef:agent/enrich_references | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v6 | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v7 |
| ef:activity/change/20260821T1302361922970000/246660 | skos_definition | ef:agent/enrich_references | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v7 | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v8 |
| ef:activity/change/20260821T1302361922970000/246661 | references | ef:agent/enrich_references | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v8 | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v9 |
| ef:activity/change/20260821T1302361922970000/253939 | properties | ef:agent/rdkit_pre_consensus | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v9 | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v10 |
| ef:activity/change/20260821T1302361922970000/261671 | altLabel | ef:agent/consensus_match | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v10 | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v11 |
| ef:activity/change/20260821T1302361922970000/261672 | cas_match_labels | ef:agent/consensus_match | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v11 | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v12 |
| ef:activity/change/20260821T1302361922970000/279129 | properties | ef:agent/opsin_iupac | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v12 | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v13 |
| ef:activity/change/20260821T1302361922970000/285982 | properties | ef:agent/rdkit_post_consensus | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v13 | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v14 |
| ef:activity/change/20260821T1302361922970000/344324 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v14 | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v15 |
| ef:activity/change/20260821T1302361922970000/393520 | properties | ef:agent/normalise_property_values | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v15 | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v16 |
| ef:activity/change/20260821T1302361922970000/402539 | types | ef:agent/link_flows_to_their_substance | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v16 | ef:flow/8157cecf-6ff7-4529-861c-76ccda25a826/v17 |