3,7-dimethyloctanenitrile
Everything that changed this flow. Back to the flow
5f68dc26-a06b-4ed1-a137-f5efdbb25a92
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-dimethyloctanenitrile||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=40188-41-8; added Common Chemistry CAS names as altLabel: 6,7-Dihydrocitronellyl nitrile, Octanenitrile, 3,7-dimethyl-, Tetrahydrogeranonitrile; object_uuid=fo-1522011f0897c751 |
| cas_match_labels | 1 | consensus_match | group_key=3,7-dimethyloctanenitrile||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'40188-41-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1522011f0897c751: {'40188-41-8': '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=['40188-41-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[170284, 254337, 54295657]; selected_pubchem_cids=[170284]; 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 |
|---|---|---|---|---|---|
| 20,734 | bootstrap_labels | prefLabel | — | [{"@value":"3,7-dimethyloctanenitrile","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAtt… | Bootstrapped prefLabel from legacy name field |
| 20,735 | bootstrap_labels | name | 3,7-dimethyloctanenitrile | — | Purged legacy name field to enforce prefLabel usage |
| 20,736 | bootstrap_labels | synonyms | ["organic","3,7-dimethyloctanenitrile","3,7-dimethyloctannitril","hypo-lem","tetrahydrogeranoitril"] | [] | Removed legacy synonyms field in favor of structured labels |
| 106,416 | 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 |
| 106,417 | 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 |
| 220,037 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 246,286 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H19N"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 246,287 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 246,288 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J422.415I","provenance":{"prov:wasGeneratedBy":"enrich_referen… | Added references with provenance; cas_numbers=['40188-41-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[170284, 254337, 54295657]; selected_pubchem_cids=[170284]; 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 |
| 253,830 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H19N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H19N"],… | rdkit_pre_consensus from 'CC(C)CCCC(C)CC#N'; added: molecular_mass, monoisotopic_mass |
| 261,695 | consensus_match | altLabel | [] | [{"@value":"6,7-Dihydrocitronellyl nitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wa… | group_key=3,7-dimethyloctanenitrile||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=40188-41-8; added Common Chemistry CAS names as altLabel: 6,7-Dihydrocitronellyl nitrile, Octanenitrile, 3,7-dimethyl-, Tetrahydrogeranonitrile; object_uuid=fo-1522011f0897c751 |
| 261,696 | consensus_match | cas_match_labels | — | {"40188-41-8":"exactMatch"} | group_key=3,7-dimethyloctanenitrile||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'40188-41-8': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1522011f0897c751: {'40188-41-8': 'exactMatch'} |
| 279,030 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H19N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H19N"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3,7-dimethyloctanenitrile' |
| 285,858 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H19N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H19N"],… | rdkit_post_consensus from 'CC(C)CCCC(C)CC#N'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 334,204 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5f68dc26-a06b-… | associations resolved on the elementary layer |
| 393,411 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H19N"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H19N"],… | typed the way the ontology types it |
| 402,358 | 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/20260821T1122181958110000/20734 | prefLabel | ef:agent/bootstrap_labels | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v0 | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v1 |
| ef:activity/change/20260821T1122181958110000/20735 | name | ef:agent/bootstrap_labels | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v1 | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v2 |
| ef:activity/change/20260821T1122181958110000/20736 | synonyms | ef:agent/bootstrap_labels | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v2 | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v3 |
| ef:activity/change/20260821T1122181958110000/106416 | context | ef:agent/default_context_mapping | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v3 | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v4 |
| ef:activity/change/20260821T1122181958110000/106417 | context_iri | ef:agent/default_context_mapping | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v4 | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v5 |
| ef:activity/change/20260821T1122181958110000/220037 | unit_iri | ef:agent/unit_normalization | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v5 | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v6 |
| ef:activity/change/20260821T1122181958110000/246286 | properties | ef:agent/enrich_references | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v6 | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v7 |
| ef:activity/change/20260821T1122181958110000/246287 | skos_definition | ef:agent/enrich_references | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v7 | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v8 |
| ef:activity/change/20260821T1122181958110000/246288 | references | ef:agent/enrich_references | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v8 | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v9 |
| ef:activity/change/20260821T1122181958110000/253830 | properties | ef:agent/rdkit_pre_consensus | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v9 | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v10 |
| ef:activity/change/20260821T1122181958110000/261695 | altLabel | ef:agent/consensus_match | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v10 | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v11 |
| ef:activity/change/20260821T1122181958110000/261696 | cas_match_labels | ef:agent/consensus_match | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v11 | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v12 |
| ef:activity/change/20260821T1122181958110000/279030 | properties | ef:agent/opsin_iupac | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v12 | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v13 |
| ef:activity/change/20260821T1122181958110000/285858 | properties | ef:agent/rdkit_post_consensus | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v13 | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v14 |
| ef:activity/change/20260821T1122181958110000/334204 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v14 | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v15 |
| ef:activity/change/20260821T1122181958110000/393411 | properties | ef:agent/normalise_property_values | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v15 | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v16 |
| ef:activity/change/20260821T1122181958110000/402358 | types | ef:agent/link_flows_to_their_substance | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v16 | ef:flow/5f68dc26-a06b-4ed1-a137-f5efdbb25a92/v17 |